diff --git a/.github/workflows/docker-image-ci.yml b/.github/workflows/docker-image-ci.yml new file mode 100644 index 000000000..fa45cdfb9 --- /dev/null +++ b/.github/workflows/docker-image-ci.yml @@ -0,0 +1,33 @@ +name: Docker Image CI + +on: + push: + branches: [ cyano ] + +jobs: + + build: + + runs-on: ubuntu-latest + + steps: + - + name: Checkout + uses: actions/checkout@v2 + - + name: Login to Docker Hub + uses: docker/login-action@v1 + with: + username: ${{ secrets.DOCKER_HUB_USERNAME }} + password: ${{ secrets.DOCKER_HUB_ACCESS_TOKEN }} + - + name: Set up Docker Buildx + uses: docker/setup-buildx-action@v1 + - + name: Build and push + uses: docker/build-push-action@v2 + with: + context: . + file: ./Dockerfile + push: true + tags: ${{ secrets.DOCKER_HUB_USERNAME }}/nufeb:latest diff --git a/.github/workflows/sync.yml b/.github/workflows/sync.yml new file mode 100644 index 000000000..46526556a --- /dev/null +++ b/.github/workflows/sync.yml @@ -0,0 +1,43 @@ +name: Merge Upstream + +# Controls when the action will run. +on: + # Triggers the workflow on push or pull request events but only for the master branch + schedule: + - cron: '*/30 * * * *' # every 30 minutes + push: + branches: [ master ] + pull_request: + branches: [ master ] + + # Allows you to run this workflow manually from the Actions tab + workflow_dispatch: + +jobs: + merge-master: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v2 + - name: Merge upstream + run: | + git config --global user.name Jsakkos + git config --global user.email jonathansakkos@protonmail.com + # "git checkout master" is unnecessary, already here by default + git pull --unshallow # this option is very important, you would get + # complains about unrelated histories without it. + # (but actions/checkout@v2 can also be instructed + # to fetch all git depth right from the start) + git remote add upstream https://github.com/nufeb/NUFEB + git fetch upstream + git merge --no-edit upstream/master + git push origin master + merge-cyano: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v2 + - name: Merge master + run: | + git checkout -b cyano + git fetch origin + git merge origin/master + git push origin cyano diff --git a/.gitignore b/.gitignore index 5975c8977..f80212f5f 100644 --- a/.gitignore +++ b/.gitignore @@ -33,3 +33,9 @@ .project .cproject .settings/ +# Simulation outputs +*.vtu +*.vti +*.vtr +\Sucrose* +*.csv diff --git a/Dockerfile b/Dockerfile new file mode 100644 index 000000000..252e6cb13 --- /dev/null +++ b/Dockerfile @@ -0,0 +1,34 @@ +FROM ubuntu:20.04 +RUN useradd --create-home --shell /bin/bash admin + +ARG DEBIAN_FRONTEND=noninteractive +RUN apt-get update && apt-get install -y \ + build-essential \ + g++ \ + cmake \ + git \ + openmpi-bin \ + openmpi-common \ + libopenmpi-dev \ + libpng-dev \ + python3-pip \ + bash \ + nano + +USER admin +WORKDIR /home/admin +RUN git clone https://github.com/Jsakkos/NUFEB nufeb --recursive + +WORKDIR /home/admin/nufeb +RUN git checkout cyano + +WORKDIR /home/admin/nufeb/thirdparty +RUN chmod +x ./install-hdf5.sh +RUN ./install-hdf5.sh + +WORKDIR /home/admin/nufeb +RUN chmod +x ./install.sh +RUN ./install.sh --enable-hdf5 +RUN pip install nufeb-tools -U --user +ENV PATH $HOME/.local/bin:$PATH + diff --git a/README.md b/README.md old mode 100644 new mode 100755 index e2b676a4b..aff9cd964 --- a/README.md +++ b/README.md @@ -1,65 +1,70 @@ +Fork of [NUFEB](https://github.com/nufeb/NUFEB) to simulation sucrose-secreting cyanobacteria with heterotrophic partners. -NUFEB is an open source tool for modelling and simulating microbial communities. -The tool is based on the Individual-based Modelling (IbM) approach, -where microbes are represented as discrete units and their -behaviour changes over time due to a variety of processes. +# Instructions for compiling and testing NUFEB phototroph on CADES -NUFEB is built on top of the molecular dynamics simulator -LAMMPS (as a LAMMPS' user package), extended with IbM features. -A wide range of biological, physical and -chemical processes are implemented to explicitly model microbial systems. +## To login to CADES remotely +[See CADES Documentation](https://docs.cades.ornl.gov/#external-access-ucams/) +```shell +ssh userID@login1.ornl.gov +ssh userID@or-slurm-login.ornl.gov +``` -NUFEB is a freely-available open-source code, distributed under the terms -of the GNU Public License. +## clone repo into your home directory +```shell +git clone https://github.com/Jsakkos/NUFEB --recursive +git checkout cyano +git pull +``` +## To build -NUFEB development has been funded by the UK’s EPSRC EP/K039083/1 -Newcastle University Frontiers in Engineering Biology (NUFEB) project. +### With Ansible +Install Ansible +#### On CADES +``` +module load python/3.6.3 +pip3 install ansible --user +``` +#### On Ubuntu +``` +sudo apt update +sudo apt install software-properties-common +sudo apt-add-repository --yes --update ppa:ansible/ansible +sudo apt install ansible +``` +Run the playbook +``` +ansible-playbook playbook.yml +``` +### Manually +```shell +module purge +module load PE-gnu/3.0 +module load cmake +cd ~/NUFEB/thirdparty/ +./install-hdf5.sh +./install-vtk.sh +cd ~/NUFEB/ +./install.sh --enable-hdf5 --enable-vtk +``` +## To test -Installation guide, tutorial, example videos, and more details can be found in [NUFEB Wiki page](https://github.com/nufeb/NUFEB/wiki) and -[User Manual](https://github.com/nufeb/NUFEB/tree/master/doc) - ---------------------------------------------------------------------------- - -The NUFEB distribution includes the following files and directories: -
-README                  this file 
-LICENSE                 the GNU General Public License (GPL)
-install.sh              script for building NUFEB 
-uninstall.sh            script for uninstalling NUFEB 
-doc                     user manual and other documentation 
-examples                test problems and cases used in publications 
-lib                     libraries NUFEB can be linked with 
-lammps                  LAMMPS source code
-post-processing         Povray visualisation routine 
-src                     source files 
-thirdparty              thirdparty tools
-
- -### Getting source -Get NUFEB source code and submodules for its thirdparty libraries: -
-git clone https://github.com/nufeb/NUFEB --recursive
-
- -### Building -NUFEB requires gcc/g++ and openmpi for a successful build. - -Build NUFEB: -
-./install.sh
-
- -### Running -Run a case in /examples after building NUFEB, for example: -
-cd examples/biofilm-het
-mpirun -np 4 lmp_mpi -in Inputscript.lammps
-
- ---------------------------------------------------------------------------- -Developers: - -Bowen Li: bowen.li2@newcastle.ac.uk - -Denis Taniguchi: denis.taniguchi@newcastle.ac.uk +### interactively +```shell +module load env/cades-cnms +module load anaconda3 +cd $SCRATCH +python3 ./tools/GenerateAtom.py --u your_user_name +module purge +module load PE-gnu/3.0 +salloc -A cnms -p batch --nodes=1 --mem=80G --exclusive -t 00:30:00 +cd runs +srun --ntasks-per-node 32 -n 32 ~/NUFEB/lammps/src/lmp_png -in ~/NUFEB/runs/Inputscript*.lammps +``` +### batches +```shell +module load anaconda3 +cd $SCRATCH +python3 ./tools/GenerateAtom.py --u your_user_name +./tools/slurmRun.sh +``` diff --git a/examples/Cyanobacteria-E. coli/Inputscript.lammps b/examples/Cyanobacteria-E. coli/Inputscript.lammps new file mode 100644 index 000000000..3681dda95 --- /dev/null +++ b/examples/Cyanobacteria-E. coli/Inputscript.lammps @@ -0,0 +1,99 @@ +# NUFEB simulation + +atom_style bio +atom_modify map array sort 1000 5.0e-7 +boundary ff ff ff +newton off +processors * * 1 + +comm_modify vel yes +read_data_bio D:\runs\Run_50_50_1.00e+00_1_2022-12-30_602200\atom.in +##############Define initial particle distribution############## + +lattice sc 1e-6 origin 0 0 0 +#region reg block 0 1000 0 1000 0 100 + +group CYANO type 1 +group ECW type 2 + +neighbor 5e-7 bin +neigh_modify delay 0 one 5000 + +##############Define DEM Variables&Commands############## + +pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 +pair_coeff * * + +timestep 10 + +fix 1 all nve/limit 1e-8 +fix fv all viscous 1e-5 + +fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane 0.0 1e-05 + +variable kanc equal 50 + +variable ke equal 5e+10 + + +##############Define IBm Variables############## + +#variables used in fix eps_extract +variable EPSdens equal 30 +variable EPSratio equal 1.3 + +#variables used in fix division +variable divDia1 equal 1.96e-6 +variable divDia2 equal 1.04e-6 + +#variables used in fix kinetics +variable diffT equal 1e-4 +variable tol equal 1e-11 +variable etaHET equal 0.6 +variable layer equal -1 + +#variables used in fix death +#variable deadDia equal 9e-7 + + +##############Define IBm Commands############## + +fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000 +fix kgm all kinetics/growth/monod sucexp 1.0 +fix g1 all kinetics/diffusion v_tol +fix d1 CYANO divide 100 v_EPSdens v_divDia1 859152 +fix d2 ECW divide 100 v_EPSdens v_divDia2 976082 +#fix d2 all death 1 v_deadDia demflag 0 + + +##############Define IBm Computes############## + +compute myNtypes all ntypes +compute myMass all biomass +compute myCon all avg_con + +##############Simulation exit condition############## +variable co2 equal c_myCon[4] +fix 10 all halt 1000 v_co2 <= 1e-19 + +variable suc equal c_myCon[3] + + +variable light equal c_myCon[1] +fix hl all halt 1000 v_light <= 1e-19 + +variable mass equal c_myMass[1]+c_myMass[2] +fix my_halt all halt 1 v_mass >= 1.50e-11 +##############Simulation Output############## + + + +dump du3 all bio 100 ntypes biomass avg_con +dump traj all bio/hdf5 100 trajectory.h5 id type radius x y z con +thermo_style custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*] +thermo 100 +thermo_modify lost ignore + + +run 35000 + diff --git a/examples/Cyanobacteria-E. coli/atom.in b/examples/Cyanobacteria-E. coli/atom.in new file mode 100644 index 000000000..0ead97ed9 --- /dev/null +++ b/examples/Cyanobacteria-E. coli/atom.in @@ -0,0 +1,159 @@ + NUFEB Simulation + + 100 atoms + 2 atom types + 4 nutrients + + 0.0e-4 1.00e-04 xlo xhi + 0.0e-4 1.00e-04 ylo yhi + 0.0e-4 1.00e-05 zlo zhi + + Atoms + + 1 1 1.91e-06 370 6.57e-05 1.46e-05 1.91e-06 1.91e-06 + 2 1 1.76e-06 370 6.29e-05 7.08e-05 1.76e-06 1.76e-06 + 3 1 1.75e-06 370 7.83e-05 5.33e-05 1.75e-06 1.75e-06 + 4 1 1.70e-06 370 1.27e-05 6.01e-05 1.70e-06 1.70e-06 + 5 1 1.76e-06 370 8.63e-05 2.16e-05 1.76e-06 1.76e-06 + 6 1 1.65e-06 370 7.22e-06 2.36e-05 1.65e-06 1.65e-06 + 7 1 1.73e-06 370 3.17e-06 2.54e-05 1.73e-06 1.73e-06 + 8 1 1.77e-06 370 3.85e-06 3.12e-05 1.77e-06 1.77e-06 + 9 1 1.84e-06 370 2.17e-05 5.50e-05 1.84e-06 1.84e-06 + 10 1 1.59e-06 370 4.76e-05 2.65e-05 1.59e-06 1.59e-06 + 11 1 1.82e-06 370 4.01e-05 7.82e-05 1.82e-06 1.82e-06 + 12 1 1.79e-06 370 4.20e-06 9.80e-05 1.79e-06 1.79e-06 + 13 1 1.84e-06 370 4.16e-06 6.23e-05 1.84e-06 1.84e-06 + 14 1 1.65e-06 370 3.19e-05 7.54e-05 1.65e-06 1.65e-06 + 15 1 1.58e-06 370 7.44e-05 9.74e-05 1.58e-06 1.58e-06 + 16 1 1.52e-06 370 1.46e-05 1.11e-05 1.52e-06 1.52e-06 + 17 1 1.81e-06 370 2.23e-05 6.90e-05 1.81e-06 1.81e-06 + 18 1 1.84e-06 370 9.53e-05 5.14e-05 1.84e-06 1.84e-06 + 19 1 1.50e-06 370 5.52e-05 6.03e-06 1.50e-06 1.50e-06 + 20 1 1.93e-06 370 4.08e-05 8.36e-05 1.93e-06 1.93e-06 + 21 1 1.79e-06 370 5.06e-05 7.88e-05 1.79e-06 1.79e-06 + 22 1 1.76e-06 370 2.91e-05 4.32e-05 1.76e-06 1.76e-06 + 23 1 1.74e-06 370 4.92e-05 6.64e-05 1.74e-06 1.74e-06 + 24 1 1.81e-06 370 1.45e-05 6.84e-06 1.81e-06 1.81e-06 + 25 1 1.67e-06 370 8.33e-05 8.13e-05 1.67e-06 1.67e-06 + 26 1 1.46e-06 370 9.50e-05 4.69e-05 1.46e-06 1.46e-06 + 27 1 1.68e-06 370 8.74e-06 2.41e-05 1.68e-06 1.68e-06 + 28 1 1.39e-06 370 1.08e-05 1.61e-05 1.39e-06 1.39e-06 + 29 1 1.81e-06 370 3.40e-05 2.53e-05 1.81e-06 1.81e-06 + 30 1 1.54e-06 370 6.60e-05 5.45e-05 1.54e-06 1.54e-06 + 31 1 1.56e-06 370 4.07e-05 8.12e-05 1.56e-06 1.56e-06 + 32 1 1.64e-06 370 5.33e-05 4.69e-05 1.64e-06 1.64e-06 + 33 1 1.55e-06 370 5.85e-05 9.46e-05 1.55e-06 1.55e-06 + 34 1 1.44e-06 370 4.64e-05 2.00e-05 1.44e-06 1.44e-06 + 35 1 1.59e-06 370 1.89e-05 6.00e-05 1.59e-06 1.59e-06 + 36 1 1.60e-06 370 5.21e-05 2.50e-05 1.60e-06 1.60e-06 + 37 1 1.40e-06 370 1.83e-05 8.50e-05 1.40e-06 1.40e-06 + 38 1 1.85e-06 370 8.27e-05 9.40e-06 1.85e-06 1.85e-06 + 39 1 1.59e-06 370 5.44e-05 5.64e-05 1.59e-06 1.59e-06 + 40 1 1.89e-06 370 9.00e-05 4.75e-05 1.89e-06 1.89e-06 + 41 1 1.69e-06 370 1.17e-05 8.61e-05 1.69e-06 1.69e-06 + 42 1 1.76e-06 370 8.74e-05 7.68e-05 1.76e-06 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1.13e-06 1.13e-06 + 61 2 1.24e-06 230 3.67e-05 7.63e-05 1.24e-06 1.24e-06 + 62 2 1.28e-06 230 8.51e-06 4.19e-05 1.28e-06 1.28e-06 + 63 2 1.26e-06 230 2.67e-05 6.89e-06 1.26e-06 1.26e-06 + 64 2 8.98e-07 230 8.39e-05 3.51e-05 8.98e-07 8.98e-07 + 65 2 9.20e-07 230 6.99e-05 4.23e-05 9.20e-07 9.20e-07 + 66 2 1.35e-06 230 1.96e-05 5.38e-05 1.35e-06 1.35e-06 + 67 2 1.34e-06 230 7.99e-05 6.64e-05 1.34e-06 1.34e-06 + 68 2 1.28e-06 230 7.55e-05 4.10e-05 1.28e-06 1.28e-06 + 69 2 1.29e-06 230 5.61e-05 4.42e-05 1.29e-06 1.29e-06 + 70 2 1.18e-06 230 7.89e-05 3.34e-05 1.18e-06 1.18e-06 + 71 2 9.14e-07 230 7.77e-05 9.51e-05 9.14e-07 9.14e-07 + 72 2 1.32e-06 230 7.44e-06 1.99e-05 1.32e-06 1.32e-06 + 73 2 1.12e-06 230 5.16e-05 5.33e-05 1.12e-06 1.12e-06 + 74 2 1.05e-06 230 1.08e-05 4.66e-05 1.05e-06 1.05e-06 + 75 2 1.08e-06 230 8.81e-05 3.13e-05 1.08e-06 1.08e-06 + 76 2 1.14e-06 230 5.09e-05 1.27e-05 1.14e-06 1.14e-06 + 77 2 1.16e-06 230 4.41e-05 2.45e-05 1.16e-06 1.16e-06 + 78 2 9.72e-07 230 6.21e-05 5.30e-05 9.72e-07 9.72e-07 + 79 2 9.02e-07 230 8.82e-06 4.26e-05 9.02e-07 9.02e-07 + 80 2 1.09e-06 230 9.28e-05 9.45e-05 1.09e-06 1.09e-06 + 81 2 1.26e-06 230 7.41e-06 9.81e-05 1.26e-06 1.26e-06 + 82 2 1.10e-06 230 3.22e-05 2.82e-05 1.10e-06 1.10e-06 + 83 2 1.36e-06 230 5.13e-05 7.94e-05 1.36e-06 1.36e-06 + 84 2 1.37e-06 230 3.04e-05 6.21e-05 1.37e-06 1.37e-06 + 85 2 9.88e-07 230 8.01e-05 1.30e-05 9.88e-07 9.88e-07 + 86 2 1.01e-06 230 2.81e-05 3.60e-05 1.01e-06 1.01e-06 + 87 2 1.37e-06 230 9.30e-05 7.84e-05 1.37e-06 1.37e-06 + 88 2 9.00e-07 230 5.66e-05 3.13e-05 9.00e-07 9.00e-07 + 89 2 8.93e-07 230 9.48e-05 5.70e-05 8.93e-07 8.93e-07 + 90 2 1.31e-06 230 8.34e-06 2.77e-05 1.31e-06 1.31e-06 + 91 2 1.38e-06 230 8.57e-06 5.79e-05 1.38e-06 1.38e-06 + 92 2 1.27e-06 230 3.33e-05 9.82e-06 1.27e-06 1.27e-06 + 93 2 1.18e-06 230 7.77e-05 1.39e-05 1.18e-06 1.18e-06 + 94 2 1.38e-06 230 8.87e-05 6.40e-05 1.38e-06 1.38e-06 + 95 2 1.37e-06 230 3.03e-05 1.39e-05 1.37e-06 1.37e-06 + 96 2 1.37e-06 230 5.37e-05 2.39e-05 1.37e-06 1.37e-06 + 97 2 1.37e-06 230 1.13e-05 9.41e-05 1.37e-06 1.37e-06 + 98 2 1.02e-06 230 1.24e-05 8.42e-05 1.02e-06 1.02e-06 + 99 2 1.04e-06 230 4.01e-05 5.30e-05 1.04e-06 1.04e-06 + 100 2 1.23e-06 230 7.95e-05 7.04e-05 1.23e-06 1.23e-06 + + Nutrients + + 1 sub g nn nn nn 1.00e-01 1.00e-01 + 2 o2 l nn nn nd 9.00e-03 9.00e-03 + 3 suc l nn nn nn 3.42e-20 3.42e-20 + 4 co2 l nn nn nd 2.99e-02 2.99e-02 + + Type Name + + 1 cyano + 2 ecw + + Diffusion Coeffs + + sub 0 + o2 2.3e-09 + suc 5.2e-10 + co2 1.9e-09 + + Growth Rate + + cyano 2.296e-05 + ecw 0.000355 + + Ks + + cyano 0.00035 0.0002 0.01 0.00812672 + ecw 0 0.001 3.6 0.05 + + Yield + + cyano 0.55 + ecw 0.49 + + Maintenance + + cyano 0 + ecw 0 + + Decay + + cyano 0 + ecw 0 + + + diff --git a/examples/Cyanobacteria-E. coli/metadata.json b/examples/Cyanobacteria-E. coli/metadata.json new file mode 100644 index 000000000..d844a6857 --- /dev/null +++ b/examples/Cyanobacteria-E. coli/metadata.json @@ -0,0 +1,88 @@ +{ + "cyano": { + "GrowthRate": 2.296e-05, + "min_size": 1.37e-06, + "max_size": 1.94e-06, + "Density": 370, + "K_s": { + "sub": 0.00035, + "o2": 0.0002, + "suc": 0.01, + "co2": 0.00812672 + }, + "GrowthParams": { + "Yield": 0.55, + "Maintenance": 0, + "Decay": 0 + }, + "OD": 1.707732689153114, + "StartingCells": 50, + "initial_biomass": 4.78165152962872e-14 + }, + "ecw": { + "GrowthRate": 0.000355, + "min_size": 8.8e-07, + "max_size": 1.39e-06, + "Density": 230, + "K_s": { + "sub": 0, + "o2": 0.001, + "suc": 3.6, + "co2": 0.05 + }, + "GrowthParams": { + "Yield": 0.49, + "Maintenance": 0, + "Decay": 0 + }, + "OD": 0.37063167512691997, + "StartingCells": 50, + "initial_biomass": 1.630779370558448e-14 + }, + "Nutrients": { + "Concentration": { + "sub": 0.1, + "o2": 0.009, + "suc": 3.4229999999999995e-20, + "co2": 0.0299268 + }, + "State": { + "sub": "g", + "o2": "l", + "suc": "l", + "co2": "l" + }, + "xbc": { + "sub": "nn", + "o2": "nn", + "suc": "nn", + "co2": "nn" + }, + "ybc": { + "sub": "nn", + "o2": "nn", + "suc": "nn", + "co2": "nn" + }, + "zbc": { + "sub": "nn", + "o2": "nd", + "suc": "nn", + "co2": "nd" + } + }, + "Diff_c": { + "sub": 0, + "o2": 2.3e-09, + "suc": 5.2e-10, + "co2": 1.9e-09 + }, + "Dimensions": [ + 0.0001, + 0.0001, + 1e-05 + ], + "Replicates": 1, + "IPTG": 1.0, + "SucRatio": 1.0 +} \ No newline at end of file diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/Inputscript.lammps deleted file mode 100755 index f00e9e069..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/Inputscript.lammps +++ /dev/null @@ -1,126 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 6 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group xglu-ac type 1 -group xco2-ch4 type 2 -group xac-ch4 type 3 -group dead type 4 - -##############Define initial particle distribution############## - -lattice sc 1.25e-6 origin 0.5 0.5 0.5 -region reg block 0 13 0 16 0 8 -region reg2 block 13 40 0 16 0 8 -region reg3 block 40 67 0 16 0 8 -region reg5 block 67 80 0 16 0 8 - -create_atoms 1 region reg -create_atoms 2 region reg2 -create_atoms 3 region reg3 -create_atoms 1 region reg5 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 1 mass 2.62e-16 - -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 2 mass 2.62e-16 - -set type 3 density 290 -set type 3 diameter 1.2e-6 -set type 3 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg4 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph dynamic ph 7 buffer 1 6 8 -fix ki2 all kinetics/thermo yield dynamic reactor close gvol 2e-14 -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -#dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg4" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/atom.in b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/atom.in deleted file mode 100755 index b3f79da48..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/atom.in +++ /dev/null @@ -1,188 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 4 atom types - 14 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 glu l pp pp nd 5.21e-04 5.21e-04 - 2 ach l pp pp nd 1.00e-05 1.00e-05 - 3 nh3 l pp pp nd 1.00e-04 1.00e-04 - 4 ch4 l pp pp nd 1.56e-10 1.56e-10 - 5 co2 l pp pp nd 1.00e-04 1.00e-04 - 6 h2 l pp pp nd 6.25e-7 6.25e-7 - 7 gco2 g pp pp nd 0 0 - 8 gch4 g pp pp nd 0 0 - 9 gh2 g pp pp nd 0 0 - 10 gn2 g pp pp nd 1 1 - 11 h2o l pp pp nd 1 1 - 12 h l pp pp nd 0 0 - 13 na l pp pp nd 1e-5 1e-5 - 14 cl l pp pp nd 1e-5 1e-5 - - Type Name - - 1 xglu_ac - 2 xco2_ch4 - 3 xac_ch4 - 4 dead - - Diffusion Coeffs - - glu 6.69444e-10 - ach 1.288889e-9 - nh3 1.638889e-9 - ch4 1.488889e-9 - co2 1.186111e-9 - h2 4.5e-9 - gco2 0 - gch4 0 - gh2 0 - gn2 0 - h2o 0 - h 0 - na 1.3e-9 - cl 2.03e-9 - - Ks - - xglu_ac 1.44e-3 0 0 0 0 0 0 0 0 0 0 0 0 0 - xco2_ch4 0 0 0 0 0 8.65e-04 0 0 0 0 0 0 0 0 - xac_ch4 0 5e-5 0 0 0 0 0 0 0 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Consumption Rate - - xglu_ac 0.000088039 - xco2_ch4 0.00016055 - xac_ch4 0.000431235 - dead 0 - - Yield - - xglu_ac 0.6562732997 - xco2_ch4 0.1090005384 - xac_ch4 0.0644144872 - dead 0 - - Maintenance - - xglu_ac 0.000000914 - xco2_ch4 0.000002636 - xac_ch4 0.000000855 - dead 0 - - Electron Donor - - xglu_ac glu - xco2_ch4 h2 - xac_ch4 ach - dead h - - Decay - - xglu_ac 0.000009259 - xco2_ch4 0.000003472 - xac_ch4 0.000000579 - dead 0 - - Catabolism Coeffs - - xglu_ac -1 2 0 0 2 4 0 0 0 0 -4 4 0 0 - xco2_ch4 0 0 0 0.25 -0.25 -1 0 0 0 0 0.75 -0.25 0 0 - xac_ch4 0 -1 0 1 1 0 0 0 0 0 -1 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Anabolism Coeffs - - xglu_ac -0.175 0 -0.2 0 0.05 0 0 0 0 0 0.4 0.05 0 0 - xco2_ch4 0 0 -0.2 0 -1 -2.1 0 0 0 0 2.5 -1 0 0 - xac_ch4 0 -0.525 -0.2 0 0.05 0 0 0 0 0 0.4 -0.475 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Decay Coeffs - - xglu_ac 0.1666666667 0 0 0 0 0 0 0 0 0 0 0 0 0 - xco2_ch4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 - xac_ch4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Nutrient Energy - -glu inf -9.16E+02 inf inf inf 2 -ach inf -3.97E+02 -3.69E+02 inf inf 3 -nh3 inf -7.94E+01 -2.66E+01 inf inf 3 -ch4 inf -3.44E+01 inf inf inf 2 -co2 -386.00 -623.16 -586.85 -527.80 inf 3 -h2 inf 1.76E+01 inf inf inf 2 -gco2 inf -3.94E+02 inf inf inf 2 -gch4 inf -5.08E+01 inf inf inf 2 -gh2 inf 0.00E+00 inf inf inf 2 -gn2 inf 0.00E+00 inf inf inf 2 -h2o inf -2.37E+02 -1.57E+02 inf inf 2 -h inf 0 inf inf inf 2 -na inf 0 inf inf inf 2 -cl inf 0 inf inf inf 2 - - Type Energy - - xglu_ac inf -67 inf inf inf 2 - xco2_ch4 inf -67 inf inf inf 2 - xac_ch4 inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - xglu_ac 236.05 - xco2_ch4 500 - xac_ch4 200 - dead 0 - - Nutrient Charge - -glu na 0 na na na -ach na 0 -1 na na -nh3 na 1 0 na na -ch4 na 0 -1 na na -co2 0 0 -1 -2 na -h2 na 0 na na na -gco2 na 0 na na na -gch4 na 0 na na na -gh2 na 0 na na na -gn2 na 0 na na na -h2o na 0 -1 na na -h na 1 na na na -na na 1 na na na -cl na -1 na na na - - Type Charge - - xglu_ac na 0 na na na - xco2_ch4 na 0 na na na - xac_ch4 na 0 na na na - dead na 0 na na na - - Mass Transfer Coeffs - - glu 0 - ach 0 - nh3 0 - ch4 0.000716667 - co2 0.000555556 - h2 0.000236944 - gco2 0 - gch4 0 - gh2 0 - gn2 0 - h2o 0 - h 0 - na 0 - cl 0 - diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/rocket-run b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/rocket-run deleted file mode 100755 index 60eb9a69c..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/base/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=60 -#SBATCH -c 1 -#SBATCH -N 1-3 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/Inputscript.lammps deleted file mode 100755 index f00e9e069..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/Inputscript.lammps +++ /dev/null @@ -1,126 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 6 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group xglu-ac type 1 -group xco2-ch4 type 2 -group xac-ch4 type 3 -group dead type 4 - -##############Define initial particle distribution############## - -lattice sc 1.25e-6 origin 0.5 0.5 0.5 -region reg block 0 13 0 16 0 8 -region reg2 block 13 40 0 16 0 8 -region reg3 block 40 67 0 16 0 8 -region reg5 block 67 80 0 16 0 8 - -create_atoms 1 region reg -create_atoms 2 region reg2 -create_atoms 3 region reg3 -create_atoms 1 region reg5 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 1 mass 2.62e-16 - -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 2 mass 2.62e-16 - -set type 3 density 290 -set type 3 diameter 1.2e-6 -set type 3 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg4 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph dynamic ph 7 buffer 1 6 8 -fix ki2 all kinetics/thermo yield dynamic reactor close gvol 2e-14 -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -#dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg4" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/atom.in b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/atom.in deleted file mode 100755 index 137001ae1..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/atom.in +++ /dev/null @@ -1,188 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 4 atom types - 14 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 glu l pp pp nd 5.21e-04 5.21e-04 - 2 ach l pp pp nd 1.00e-05 1.00e-05 - 3 nh3 l pp pp nd 1.00e-04 1.00e-04 - 4 ch4 l pp pp nd 1.56e-10 1.56e-10 - 5 co2 l pp pp nd 1.00e-04 1.00e-04 - 6 h2 l pp pp nd 6.25e-7 6.25e-7 - 7 gco2 g pp pp nd 0 0 - 8 gch4 g pp pp nd 0 0 - 9 gh2 g pp pp nd 0 0 - 10 gn2 g pp pp nd 1 1 - 11 h2o l pp pp nd 1 1 - 12 h l pp pp nd 0 0 - 13 na l pp pp nd 1e-5 1e-5 - 14 cl l pp pp nd 1e-5 1e-5 - - Type Name - - 1 xglu_ac - 2 xco2_ch4 - 3 xac_ch4 - 4 dead - - Diffusion Coeffs - - glu 6.69444e-10 - ach 1.288889e-9 - nh3 1.638889e-9 - ch4 1.488889e-9 - co2 1.186111e-9 - h2 4.5e-9 - gco2 0 - gch4 0 - gh2 0 - gn2 0 - h2o 0 - h 0 - na 1.3e-9 - cl 2.03e-9 - - Ks - - xglu_ac 1.44e-3 0 0 0 0 0 0 0 0 0 0 0 0 0 - xco2_ch4 0 0 0 0 0 8.65e-04 0 0 0 0 0 0 0 0 - xac_ch4 0 5e-5 0 0 0 0 0 0 0 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Consumption Rate - - xglu_ac 0.000088039 - xco2_ch4 0.00016055 - xac_ch4 0.000431235 - dead 0 - - Yield - - xglu_ac 0.6562732997 - xco2_ch4 0.1090005384 - xac_ch4 0.02774346 - dead 0 - - Maintenance - - xglu_ac 0.000000914 - xco2_ch4 0.000002636 - xac_ch4 0.000000855 - dead 0 - - Electron Donor - - xglu_ac glu - xco2_ch4 h2 - xac_ch4 ach - dead h - - Decay - - xglu_ac 0.000009259 - xco2_ch4 0.000003472 - xac_ch4 0.000000579 - dead 0 - - Catabolism Coeffs - - xglu_ac -1 2 0 0 2 4 0 0 0 0 -4 4 0 0 - xco2_ch4 0 0 0 0.25 -0.25 -1 0 0 0 0 0.75 -0.25 0 0 - xac_ch4 0 -1 0 1 1 0 0 0 0 0 -1 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Anabolism Coeffs - - xglu_ac -0.175 0 -0.2 0 0.05 0 0 0 0 0 0.4 0.05 0 0 - xco2_ch4 0 0 -0.2 0 -1 -2.1 0 0 0 0 2.5 -1 0 0 - xac_ch4 0 -0.525 -0.2 0 0.05 0 0 0 0 0 0.4 -0.475 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Decay Coeffs - - xglu_ac 0.1666666667 0 0 0 0 0 0 0 0 0 0 0 0 0 - xco2_ch4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 - xac_ch4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Nutrient Energy - -glu inf -9.16E+02 inf inf inf 2 -ach inf -3.97E+02 -3.69E+02 inf inf 3 -nh3 inf -7.94E+01 -2.66E+01 inf inf 3 -ch4 inf -3.44E+01 inf inf inf 2 -co2 -386.00 -623.16 -586.85 -527.80 inf 3 -h2 inf 1.76E+01 inf inf inf 2 -gco2 inf -3.94E+02 inf inf inf 2 -gch4 inf -5.08E+01 inf inf inf 2 -gh2 inf 0.00E+00 inf inf inf 2 -gn2 inf 0.00E+00 inf inf inf 2 -h2o inf -2.37E+02 -1.57E+02 inf inf 2 -h inf 0 inf inf inf 2 -na inf 0 inf inf inf 2 -cl inf 0 inf inf inf 2 - - Type Energy - - xglu_ac inf -67 inf inf inf 2 - xco2_ch4 inf -67 inf inf inf 2 - xac_ch4 inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - xglu_ac 236.05 - xco2_ch4 500 - xac_ch4 500 - dead 0 - - Nutrient Charge - -glu na 0 na na na -ach na 0 -1 na na -nh3 na 1 0 na na -ch4 na 0 -1 na na -co2 0 0 -1 -2 na -h2 na 0 na na na -gco2 na 0 na na na -gch4 na 0 na na na -gh2 na 0 na na na -gn2 na 0 na na na -h2o na 0 -1 na na -h na 1 na na na -na na 1 na na na -cl na -1 na na na - - Type Charge - - xglu_ac na 0 na na na - xco2_ch4 na 0 na na na - xac_ch4 na 0 na na na - dead na 0 na na na - - Mass Transfer Coeffs - - glu 0 - ach 0 - nh3 0 - ch4 0.000716667 - co2 0.000555556 - h2 0.000236944 - gco2 0 - gch4 0 - gh2 0 - gn2 0 - h2o 0 - h 0 - na 0 - cl 0 - diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/rocket-run b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/rocket-run deleted file mode 100755 index 60eb9a69c..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-500/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=60 -#SBATCH -c 1 -#SBATCH -N 1-3 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/Inputscript.lammps deleted file mode 100755 index f00e9e069..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/Inputscript.lammps +++ /dev/null @@ -1,126 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 6 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group xglu-ac type 1 -group xco2-ch4 type 2 -group xac-ch4 type 3 -group dead type 4 - -##############Define initial particle distribution############## - -lattice sc 1.25e-6 origin 0.5 0.5 0.5 -region reg block 0 13 0 16 0 8 -region reg2 block 13 40 0 16 0 8 -region reg3 block 40 67 0 16 0 8 -region reg5 block 67 80 0 16 0 8 - -create_atoms 1 region reg -create_atoms 2 region reg2 -create_atoms 3 region reg3 -create_atoms 1 region reg5 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 1 mass 2.62e-16 - -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 2 mass 2.62e-16 - -set type 3 density 290 -set type 3 diameter 1.2e-6 -set type 3 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg4 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph dynamic ph 7 buffer 1 6 8 -fix ki2 all kinetics/thermo yield dynamic reactor close gvol 2e-14 -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -#dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg4" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/atom.in b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/atom.in deleted file mode 100755 index 442d864ca..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/atom.in +++ /dev/null @@ -1,188 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 4 atom types - 14 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 glu l pp pp nd 5.21e-04 5.21e-04 - 2 ach l pp pp nd 1.00e-05 1.00e-05 - 3 nh3 l pp pp nd 1.00e-04 1.00e-04 - 4 ch4 l pp pp nd 1.56e-10 1.56e-10 - 5 co2 l pp pp nd 1.00e-04 1.00e-04 - 6 h2 l pp pp nd 6.25e-7 6.25e-7 - 7 gco2 g pp pp nd 0 0 - 8 gch4 g pp pp nd 0 0 - 9 gh2 g pp pp nd 0 0 - 10 gn2 g pp pp nd 1 1 - 11 h2o l pp pp nd 1 1 - 12 h l pp pp nd 0 0 - 13 na l pp pp nd 1e-5 1e-5 - 14 cl l pp pp nd 1e-5 1e-5 - - Type Name - - 1 xglu_ac - 2 xco2_ch4 - 3 xac_ch4 - 4 dead - - Diffusion Coeffs - - glu 6.69444e-10 - ach 1.288889e-9 - nh3 1.638889e-9 - ch4 1.488889e-9 - co2 1.186111e-9 - h2 4.5e-9 - gco2 0 - gch4 0 - gh2 0 - gn2 0 - h2o 0 - h 0 - na 1.3e-9 - cl 2.03e-9 - - Ks - - xglu_ac 1.44e-3 0 0 0 0 0 0 0 0 0 0 0 0 0 - xco2_ch4 0 0 0 0 0 8.65e-04 0 0 0 0 0 0 0 0 - xac_ch4 0 5e-5 0 0 0 0 0 0 0 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Consumption Rate - - xglu_ac 0.000088039 - xco2_ch4 0.00016055 - xac_ch4 0.000431235 - dead 0 - - Yield - - xglu_ac 0.6562732997 - xco2_ch4 0.07467279 - xac_ch4 0.02774346 - dead 0 - - Maintenance - - xglu_ac 0.000000914 - xco2_ch4 0.000002636 - xac_ch4 0.000000855 - dead 0 - - Electron Donor - - xglu_ac glu - xco2_ch4 h2 - xac_ch4 ach - dead h - - Decay - - xglu_ac 0.000009259 - xco2_ch4 0.000003472 - xac_ch4 0.000000579 - dead 0 - - Catabolism Coeffs - - xglu_ac -1 2 0 0 2 4 0 0 0 0 -4 4 0 0 - xco2_ch4 0 0 0 0.25 -0.25 -1 0 0 0 0 0.75 -0.25 0 0 - xac_ch4 0 -1 0 1 1 0 0 0 0 0 -1 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Anabolism Coeffs - - xglu_ac -0.175 0 -0.2 0 0.05 0 0 0 0 0 0.4 0.05 0 0 - xco2_ch4 0 0 -0.2 0 -1 -2.1 0 0 0 0 2.5 -1 0 0 - xac_ch4 0 -0.525 -0.2 0 0.05 0 0 0 0 0 0.4 -0.475 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Decay Coeffs - - xglu_ac 0.1666666667 0 0 0 0 0 0 0 0 0 0 0 0 0 - xco2_ch4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 - xac_ch4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Nutrient Energy - -glu inf -9.16E+02 inf inf inf 2 -ach inf -3.97E+02 -3.69E+02 inf inf 3 -nh3 inf -7.94E+01 -2.66E+01 inf inf 3 -ch4 inf -3.44E+01 inf inf inf 2 -co2 -386.00 -623.16 -586.85 -527.80 inf 3 -h2 inf 1.76E+01 inf inf inf 2 -gco2 inf -3.94E+02 inf inf inf 2 -gch4 inf -5.08E+01 inf inf inf 2 -gh2 inf 0.00E+00 inf inf inf 2 -gn2 inf 0.00E+00 inf inf inf 2 -h2o inf -2.37E+02 -1.57E+02 inf inf 2 -h inf 0 inf inf inf 2 -na inf 0 inf inf inf 2 -cl inf 0 inf inf inf 2 - - Type Energy - - xglu_ac inf -67 inf inf inf 2 - xco2_ch4 inf -67 inf inf inf 2 - xac_ch4 inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - xglu_ac 236.05 - xco2_ch4 700 - xac_ch4 500 - dead 0 - - Nutrient Charge - -glu na 0 na na na -ach na 0 -1 na na -nh3 na 1 0 na na -ch4 na 0 -1 na na -co2 0 0 -1 -2 na -h2 na 0 na na na -gco2 na 0 na na na -gch4 na 0 na na na -gh2 na 0 na na na -gn2 na 0 na na na -h2o na 0 -1 na na -h na 1 na na na -na na 1 na na na -cl na -1 na na na - - Type Charge - - xglu_ac na 0 na na na - xco2_ch4 na 0 na na na - xac_ch4 na 0 na na na - dead na 0 na na na - - Mass Transfer Coeffs - - glu 0 - ach 0 - nh3 0 - ch4 0.000716667 - co2 0.000555556 - h2 0.000236944 - gco2 0 - gch4 0 - gh2 0 - gn2 0 - h2o 0 - h 0 - na 0 - cl 0 - diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/rocket-run b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/rocket-run deleted file mode 100755 index 60eb9a69c..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-700/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=60 -#SBATCH -c 1 -#SBATCH -N 1-3 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/Inputscript.lammps deleted file mode 100755 index 5ccbccef3..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/Inputscript.lammps +++ /dev/null @@ -1,126 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 6 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group xglu-ac type 1 -group xco2-ch4 type 2 -group xac-ch4 type 3 -group dead type 4 - -##############Define initial particle distribution############## - -lattice sc 1.25e-6 origin 0.5 0.5 0.5 -region reg block 0 13 0 16 0 8 -region reg2 block 13 40 0 16 0 8 -region reg3 block 40 67 0 16 0 8 -region reg5 block 67 80 0 16 0 8 - -create_atoms 1 region reg -create_atoms 2 region reg2 -create_atoms 3 region reg3 -create_atoms 1 region reg5 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 1 mass 2.62e-16 - -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 2 mass 2.62e-16 - -set type 3 density 290 -set type 3 diameter 1.2e-6 -set type 3 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg4 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph dynamic ph 7 buffer 1 6 8 -fix ki2 all kinetics/thermo yield dynamic reactor close gvol 2e-14 -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol mol 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -#dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg4" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/atom.in b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/atom.in deleted file mode 100755 index 3095aab0d..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/atom.in +++ /dev/null @@ -1,188 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 4 atom types - 14 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 glu l pp pp nd 5.21e-04 5.21e-04 - 2 ach l pp pp nd 1.00e-05 1.00e-05 - 3 nh3 l pp pp nd 1.00e-04 1.00e-04 - 4 ch4 l pp pp nd 1.56e-10 1.56e-10 - 5 co2 l pp pp nd 1.00e-04 1.00e-04 - 6 h2 l pp pp nd 6.25e-7 6.25e-7 - 7 gco2 g pp pp nd 0 0 - 8 gch4 g pp pp nd 0 0 - 9 gh2 g pp pp nd 0 0 - 10 gn2 g pp pp nd 1 1 - 11 h2o l pp pp nd 1 1 - 12 h l pp pp nd 0 0 - 13 na l pp pp nd 1e-5 1e-5 - 14 cl l pp pp nd 1e-5 1e-5 - - Type Name - - 1 xglu_ac - 2 xco2_ch4 - 3 xac_ch4 - 4 dead - - Diffusion Coeffs - - glu 6.69444e-10 - ach 1.288889e-9 - nh3 1.638889e-9 - ch4 1.488889e-9 - co2 1.186111e-9 - h2 4.5e-9 - gco2 0 - gch4 0 - gh2 0 - gn2 0 - h2o 0 - h 0 - na 1.3e-9 - cl 2.03e-9 - - Ks - - xglu_ac 1.44e-3 0 0 0 0 0 0 0 0 0 0 0 0 0 - xco2_ch4 0 0 0 0 0 8.65e-04 0 0 0 0 0 0 0 0 - xac_ch4 0 5e-5 0 0 0 0 0 0 0 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Consumption Rate - - xglu_ac 0.000088039 - xco2_ch4 0.00016055 - xac_ch4 0.000431235 - dead 0 - - Yield - - xglu_ac 0.6562732997 - xco2_ch4 0.05678833 - xac_ch4 0.02774346 - dead 0 - - Maintenance - - xglu_ac 0.000000914 - xco2_ch4 0.000002636 - xac_ch4 0.000000855 - dead 0 - - Electron Donor - - xglu_ac glu - xco2_ch4 h2 - xac_ch4 ach - dead h - - Decay - - xglu_ac 0.000009259 - xco2_ch4 0.000003472 - xac_ch4 0.000000579 - dead 0 - - Catabolism Coeffs - - xglu_ac -1 2 0 0 2 4 0 0 0 0 -4 4 0 0 - xco2_ch4 0 0 0 0.25 -0.25 -1 0 0 0 0 0.75 -0.25 0 0 - xac_ch4 0 -1 0 1 1 0 0 0 0 0 -1 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Anabolism Coeffs - - xglu_ac -0.175 0 -0.2 0 0.05 0 0 0 0 0 0.4 0.05 0 0 - xco2_ch4 0 0 -0.2 0 -1 -2.1 0 0 0 0 2.5 -1 0 0 - xac_ch4 0 -0.525 -0.2 0 0.05 0 0 0 0 0 0.4 -0.475 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Decay Coeffs - - xglu_ac 0.1666666667 0 0 0 0 0 0 0 0 0 0 0 0 0 - xco2_ch4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 - xac_ch4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Nutrient Energy - -glu inf -9.16E+02 inf inf inf 2 -ach inf -3.97E+02 -3.69E+02 inf inf 3 -nh3 inf -7.94E+01 -2.66E+01 inf inf 3 -ch4 inf -3.44E+01 inf inf inf 2 -co2 -386.00 -623.16 -586.85 -527.80 inf 3 -h2 inf 1.76E+01 inf inf inf 2 -gco2 inf -3.94E+02 inf inf inf 2 -gch4 inf -5.08E+01 inf inf inf 2 -gh2 inf 0.00E+00 inf inf inf 2 -gn2 inf 0.00E+00 inf inf inf 2 -h2o inf -2.37E+02 -1.57E+02 inf inf 2 -h inf 0 inf inf inf 2 -na inf 0 inf inf inf 2 -cl inf 0 inf inf inf 2 - - Type Energy - - xglu_ac inf -67 inf inf inf 2 - xco2_ch4 inf -67 inf inf inf 2 - xac_ch4 inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - xglu_ac 236.05 - xco2_ch4 900 - xac_ch4 500 - dead 0 - - Nutrient Charge - -glu na 0 na na na -ach na 0 -1 na na -nh3 na 1 0 na na -ch4 na 0 -1 na na -co2 0 0 -1 -2 na -h2 na 0 na na na -gco2 na 0 na na na -gch4 na 0 na na na -gh2 na 0 na na na -gn2 na 0 na na na -h2o na 0 -1 na na -h na 1 na na na -na na 1 na na na -cl na -1 na na na - - Type Charge - - xglu_ac na 0 na na na - xco2_ch4 na 0 na na na - xac_ch4 na 0 na na na - dead na 0 na na na - - Mass Transfer Coeffs - - glu 0 - ach 0 - nh3 0 - ch4 0.000716667 - co2 0.000555556 - h2 0.000236944 - gco2 0 - gch4 0 - gh2 0 - gn2 0 - h2o 0 - h 0 - na 0 - cl 0 - diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/rocket-run b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/rocket-run deleted file mode 100755 index 60eb9a69c..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/dissipation-900/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=60 -#SBATCH -c 1 -#SBATCH -N 1-3 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/Inputscript.lammps deleted file mode 100755 index 04f98bf3d..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/Inputscript.lammps +++ /dev/null @@ -1,126 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 4 1 1 - -comm_modify vel yes -read_data_bio atom.in - -group xglu-ac type 1 -group xco2-ch4 type 2 -group xac-ch4 type 3 -group dead type 4 - -##############Define initial particle distribution############## - -lattice sc 1.25e-6 origin 0.5 0.5 0.5 -region reg block 0 13 0 16 0 8 -region reg2 block 13 40 0 16 0 8 -region reg3 block 40 67 0 16 0 8 -region reg5 block 67 80 0 16 0 8 - -create_atoms 1 region reg -create_atoms 2 region reg2 -create_atoms 3 region reg3 -create_atoms 1 region reg5 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 1 mass 2.62e-16 - -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 2 mass 2.62e-16 - -set type 3 density 290 -set type 3 diameter 1.2e-6 -set type 3 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg4 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph dynamic ph 7 buffer 1 6 8 -fix ki2 all kinetics/thermo yield dynamic reactor close gvol 2e-14 -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -#dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg4" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/atom.in b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/atom.in deleted file mode 100755 index 6069d9a20..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/atom.in +++ /dev/null @@ -1,188 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 4 atom types - 14 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 glu l pp pp nd 7.81e-04 7.81e-04 - 2 ach l pp pp nd 1.00e-05 1.00e-05 - 3 nh3 l pp pp nd 1.00e-04 1.00e-04 - 4 ch4 l pp pp nd 1.56e-10 1.56e-10 - 5 co2 l pp pp nd 1.00e-04 1.00e-04 - 6 h2 l pp pp nd 6.25e-7 6.25e-7 - 7 gco2 g pp pp nd 0 0 - 8 gch4 g pp pp nd 0 0 - 9 gh2 g pp pp nd 0 0 - 10 gn2 g pp pp nd 1 1 - 11 h2o l pp pp nd 1 1 - 12 h l pp pp nd 0 0 - 13 na l pp pp nd 1e-5 1e-5 - 14 cl l pp pp nd 1e-5 1e-5 - - Type Name - - 1 xglu_ac - 2 xco2_ch4 - 3 xac_ch4 - 4 dead - - Diffusion Coeffs - - glu 6.69444e-10 - ach 1.288889e-9 - nh3 1.638889e-9 - ch4 1.488889e-9 - co2 1.186111e-9 - h2 4.5e-9 - gco2 0 - gch4 0 - gh2 0 - gn2 0 - h2o 0 - h 0 - na 1.3e-9 - cl 2.03e-9 - - Ks - - xglu_ac 1.44e-3 0 0 0 0 0 0 0 0 0 0 0 0 0 - xco2_ch4 0 0 0 0 0 8.65e-04 0 0 0 0 0 0 0 0 - xac_ch4 0 5e-5 0 0 0 0 0 0 0 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Consumption Rate - - xglu_ac 0.000088039 - xco2_ch4 0.00016055 - xac_ch4 0.000431235 - dead 0 - - Yield - - xglu_ac 0.6562732997 - xco2_ch4 0.1090005384 - xac_ch4 0.0644144872 - dead 0 - - Maintenance - - xglu_ac 0.000000914 - xco2_ch4 0.000002636 - xac_ch4 0.000000855 - dead 0 - - Electron Donor - - xglu_ac glu - xco2_ch4 h2 - xac_ch4 ach - dead h - - Decay - - xglu_ac 0.000009259 - xco2_ch4 0.000003472 - xac_ch4 0.000000579 - dead 0 - - Catabolism Coeffs - - xglu_ac -1 2 0 0 2 4 0 0 0 0 -4 4 0 0 - xco2_ch4 0 0 0 0.25 -0.25 -1 0 0 0 0 0.75 -0.25 0 0 - xac_ch4 0 -1 0 1 1 0 0 0 0 0 -1 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Anabolism Coeffs - - xglu_ac -0.175 0 -0.2 0 0.05 0 0 0 0 0 0.4 0.05 0 0 - xco2_ch4 0 0 -0.2 0 -1 -2.1 0 0 0 0 2.5 -1 0 0 - xac_ch4 0 -0.525 -0.2 0 0.05 0 0 0 0 0 0.4 -0.475 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Decay Coeffs - - xglu_ac 0.1666666667 0 0 0 0 0 0 0 0 0 0 0 0 0 - xco2_ch4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 - xac_ch4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - Nutrient Energy - -glu inf -9.16E+02 inf inf inf 2 -ach inf -3.97E+02 -3.69E+02 inf inf 3 -nh3 inf -7.94E+01 -2.66E+01 inf inf 3 -ch4 inf -3.44E+01 inf inf inf 2 -co2 -386.00 -623.16 -586.85 -527.80 inf 3 -h2 inf 1.76E+01 inf inf inf 2 -gco2 inf -3.94E+02 inf inf inf 2 -gch4 inf -5.08E+01 inf inf inf 2 -gh2 inf 0.00E+00 inf inf inf 2 -gn2 inf 0.00E+00 inf inf inf 2 -h2o inf -2.37E+02 -1.57E+02 inf inf 2 -h inf 0 inf inf inf 2 -na inf 0 inf inf inf 2 -cl inf 0 inf inf inf 2 - - Type Energy - - xglu_ac inf -67 inf inf inf 2 - xco2_ch4 inf -67 inf inf inf 2 - xac_ch4 inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - xglu_ac 236.05 - xco2_ch4 500 - xac_ch4 200 - dead 0 - - Nutrient Charge - -glu na 0 na na na -ach na 0 -1 na na -nh3 na 1 0 na na -ch4 na 0 -1 na na -co2 0 0 -1 -2 na -h2 na 0 na na na -gco2 na 0 na na na -gch4 na 0 na na na -gh2 na 0 na na na -gn2 na 0 na na na -h2o na 0 -1 na na -h na 1 na na na -na na 1 na na na -cl na -1 na na na - - Type Charge - - xglu_ac na 0 na na na - xco2_ch4 na 0 na na na - xac_ch4 na 0 na na na - dead na 0 na na na - - Mass Transfer Coeffs - - glu 0 - ach 0 - nh3 0 - ch4 0.000716667 - co2 0.000555556 - h2 0.000236944 - gco2 0 - gch4 0 - gh2 0 - gn2 0 - h2o 0 - h 0 - na 0 - cl 0 - diff --git a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/rocket-run b/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/rocket-run deleted file mode 100755 index 60eb9a69c..000000000 --- a/examples/PAPER-CHEMICAL-IBM/anaerobic-digestion/high-glu/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=60 -#SBATCH -c 1 -#SBATCH -N 1-3 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/Inputscript.lammps deleted file mode 100755 index eab8bfa3a..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/Inputscript.lammps +++ /dev/null @@ -1,118 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 5 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group AOB type 1 -group NOB type 2 -group DEAD type 3 - -##############Define initial particle distribution############## - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.6 0.5 0.5 -region reg block 0 40 0 16 0 8 -create_atoms 1 region reg - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.1 0.5 0.5 -region reg2 block 0 40 0 16 0 8 -create_atoms 2 region reg2 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 1 mass 2.62e-16 -set type 2 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg3 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph dynamic ph 7.5 buffer 1 6 8 -fix ki2 all kinetics/thermo -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph -compute myHeight all avg_height - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph avg_height -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg3" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/atom.in b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/atom.in deleted file mode 100755 index 7c62be252..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/atom.in +++ /dev/null @@ -1,138 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 3 atom types - 9 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 nh3 l pp pp nd 0.001765 0.001765 - 2 no2 l pp pp nd 1e-20 1e-20 - 3 no3 l pp pp nd 1e-20 1e-20 - 4 o2 l pp pp nd 2.81E-04 2.81E-04 - 5 co2 l pp pp nd 2e-3 2e-3 - 6 h2o l pp pp nd 1 1 - 7 h l pp pp nd 0 0 - 8 na l pp pp nd 1e-5 1e-5 - 9 cl l pp pp nd 1e-5 1e-5 - - Type Name - - 1 aob - 2 nob - 3 dead - - Diffusion Coeffs - - nh3 1.958333e-9 - no2 1.911111e-9 - no3 1.902778e-9 - o2 2.1e-9 - co2 1.186111e-9 - h2o 0 - h 0 - na 1.3e-9 - cl 2.03e-9 - - Ks - - aob 2.11e-6 0 0 9.38e-7 0 0 0 0 0 - nob 0 3.94e-09 0 1.88e-06 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Consumption Rate - - aob 0.000057175 - nob 0.000110776 - dead 0 - - Yield - - aob 0.155468293 - nob 0.077734146 - dead 1 - - Maintenance - - aob 0.000001419 - nob 0.000001415 - dead 0 - - Electron Donor - - aob nh3 - nob no2 - dead h - - Decay - - aob 2.2665e-6 - nob 1.9167e-6 - dead 0 - - Catabolism Coeffs - - aob -1 1 0 -1.5 0 1 1 0 0 - nob 0 -1 1 -0.5 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Anabolism Coeffs - - aob -0.9 0.7 0 0 -1 1.1 -1 0 0 - nob 0 -2.9 2.7 0 -1 0.2 -1 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Decay Coeffs - - aob 0.2 0 0 0 1 0 0 0 0 - nob 0.2 0 0 0 1 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Nutrient Energy - - nh3 inf -79.37 -26.57 inf inf 3 - no2 inf -50.60 -32.20 inf inf 2 - no3 inf -103.70 -111.30 inf inf 2 - o2 inf 16.4 inf inf inf 2 - co2 -386.00 -623.16 -586.85 -527.80 inf 3 - h2o inf -237.18 -157.3 inf inf 2 - h inf 0 inf inf inf 2 - na inf 0 inf inf inf 2 - cl inf 0 inf inf inf 2 - - Type Energy - - aob inf -67 inf inf inf 2 - nob inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - aob 3500 - nob 3500 - dead 0 - - Nutrient Charge - - nh3 na 1 0 na na - no2 na 0 -1 na na - no3 na 0 -1 na na - o2 na 0 na na na - co2 0 0 -1 -2 na - h2o na 0 -1 na na - h na 1 na na na - na na 1 na na na - cl na -1 na na na - - Type Charge - - aob na 0 na na na - nob na 0 na na na - dead na 0 na na na - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/rocket-run b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/rocket-run deleted file mode 100755 index a8ccc922e..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=50 -#SBATCH -c 1 -#SBATCH -N 1-2 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/Inputscript.lammps deleted file mode 100755 index 9473b2278..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/Inputscript.lammps +++ /dev/null @@ -1,117 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 6 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group AOB type 1 -group NOB type 2 -group DEAD type 3 - -##############Define initial particle distribution############## - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.6 0.5 0.5 -region reg block 0 40 0 16 0 8 -create_atoms 1 region reg - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.1 0.5 0.5 -region reg2 block 0 40 0 16 0 8 -create_atoms 2 region reg2 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 1 mass 2.62e-16 -set type 2 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg3 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 30000 devery 10 -fix ki3 all kinetics/ph dynamic ph 7.5 buffer 1 6.5 8 -fix ki2 all kinetics/thermo -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg3" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/atom.in b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/atom.in deleted file mode 100755 index 7c62be252..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/atom.in +++ /dev/null @@ -1,138 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 3 atom types - 9 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 nh3 l pp pp nd 0.001765 0.001765 - 2 no2 l pp pp nd 1e-20 1e-20 - 3 no3 l pp pp nd 1e-20 1e-20 - 4 o2 l pp pp nd 2.81E-04 2.81E-04 - 5 co2 l pp pp nd 2e-3 2e-3 - 6 h2o l pp pp nd 1 1 - 7 h l pp pp nd 0 0 - 8 na l pp pp nd 1e-5 1e-5 - 9 cl l pp pp nd 1e-5 1e-5 - - Type Name - - 1 aob - 2 nob - 3 dead - - Diffusion Coeffs - - nh3 1.958333e-9 - no2 1.911111e-9 - no3 1.902778e-9 - o2 2.1e-9 - co2 1.186111e-9 - h2o 0 - h 0 - na 1.3e-9 - cl 2.03e-9 - - Ks - - aob 2.11e-6 0 0 9.38e-7 0 0 0 0 0 - nob 0 3.94e-09 0 1.88e-06 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Consumption Rate - - aob 0.000057175 - nob 0.000110776 - dead 0 - - Yield - - aob 0.155468293 - nob 0.077734146 - dead 1 - - Maintenance - - aob 0.000001419 - nob 0.000001415 - dead 0 - - Electron Donor - - aob nh3 - nob no2 - dead h - - Decay - - aob 2.2665e-6 - nob 1.9167e-6 - dead 0 - - Catabolism Coeffs - - aob -1 1 0 -1.5 0 1 1 0 0 - nob 0 -1 1 -0.5 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Anabolism Coeffs - - aob -0.9 0.7 0 0 -1 1.1 -1 0 0 - nob 0 -2.9 2.7 0 -1 0.2 -1 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Decay Coeffs - - aob 0.2 0 0 0 1 0 0 0 0 - nob 0.2 0 0 0 1 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Nutrient Energy - - nh3 inf -79.37 -26.57 inf inf 3 - no2 inf -50.60 -32.20 inf inf 2 - no3 inf -103.70 -111.30 inf inf 2 - o2 inf 16.4 inf inf inf 2 - co2 -386.00 -623.16 -586.85 -527.80 inf 3 - h2o inf -237.18 -157.3 inf inf 2 - h inf 0 inf inf inf 2 - na inf 0 inf inf inf 2 - cl inf 0 inf inf inf 2 - - Type Energy - - aob inf -67 inf inf inf 2 - nob inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - aob 3500 - nob 3500 - dead 0 - - Nutrient Charge - - nh3 na 1 0 na na - no2 na 0 -1 na na - no3 na 0 -1 na na - o2 na 0 na na na - co2 0 0 -1 -2 na - h2o na 0 -1 na na - h na 1 na na na - na na 1 na na na - cl na -1 na na na - - Type Charge - - aob na 0 na na na - nob na 0 na na na - dead na 0 na na na - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/rocket-run b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/rocket-run deleted file mode 100755 index 034410dbc..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7.5/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=60 -#SBATCH -c 1 -#SBATCH -N 1-2 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/Inputscript.lammps deleted file mode 100755 index 9ca7fac8b..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/Inputscript.lammps +++ /dev/null @@ -1,117 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 4 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group AOB type 1 -group NOB type 2 -group DEAD type 3 - -##############Define initial particle distribution############## - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.6 0.5 0.5 -region reg block 0 40 0 16 0 8 -create_atoms 1 region reg - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.1 0.5 0.5 -region reg2 block 0 40 0 16 0 8 -create_atoms 2 region reg2 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 1 mass 2.62e-16 -set type 2 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg3 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph dynamic ph 7 buffer 1 6.5 9 -fix ki2 all kinetics/thermo -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg3" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/atom.in b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/atom.in deleted file mode 100755 index 4282108f8..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/atom.in +++ /dev/null @@ -1,138 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 3 atom types - 9 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 nh3 l pp pp nd 0.001765 0.001765 - 2 no2 l pp pp nd 1e-20 1e-20 - 3 no3 l pp pp nd 1e-20 1e-20 - 4 o2 l pp pp nd 2.81E-04 2.81E-04 - 5 co2 l pp pp nd 2.556e-3 2.556e-3 - 6 h2o l pp pp nd 1 1 - 7 h l pp pp nd 0 0 - 8 na l pp pp nd 1e-5 1e-5 - 9 cl l pp pp nd 1e-5 1e-5 - - Type Name - - 1 aob - 2 nob - 3 dead - - Diffusion Coeffs - - nh3 1.958333e-9 - no2 1.911111e-9 - no3 1.902778e-9 - o2 2.1e-9 - co2 1.186111e-9 - h2o 0 - h 0 - na 1.3e-9 - cl 2.03e-9 - - Ks - - aob 2.11e-6 0 0 9.38e-7 0 0 0 0 0 - nob 0 3.94e-09 0 1.88e-06 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Consumption Rate - - aob 0.000057175 - nob 0.000110776 - dead 0 - - Yield - - aob 0.155468293 - nob 0.077734146 - dead 1 - - Maintenance - - aob 0.000001419 - nob 0.000001415 - dead 0 - - Electron Donor - - aob nh3 - nob no2 - dead h - - Decay - - aob 2.2665e-6 - nob 1.9167e-6 - dead 0 - - Catabolism Coeffs - - aob -1 1 0 -1.5 0 1 1 0 0 - nob 0 -1 1 -0.5 0 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Anabolism Coeffs - - aob -0.9 0.7 0 0 -1 1.1 -1 0 0 - nob 0 -2.9 2.7 0 -1 0.2 -1 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Decay Coeffs - - aob 0.2 0 0 0 1 0 0 0 0 - nob 0.2 0 0 0 1 0 0 0 0 - dead 0 0 0 0 0 0 0 0 0 - - Nutrient Energy - - nh3 inf -79.37 -26.57 inf inf 3 - no2 inf -50.60 -32.20 inf inf 2 - no3 inf -103.70 -111.30 inf inf 2 - o2 inf 16.4 inf inf inf 2 - co2 -386.00 -623.16 -586.85 -527.80 inf 3 - h2o inf -237.18 -157.3 inf inf 2 - h inf 0 inf inf inf 2 - na inf 0 inf inf inf 2 - cl inf 0 inf inf inf 2 - - Type Energy - - aob inf -67 inf inf inf 2 - nob inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - aob 3500 - nob 3500 - dead 0 - - Nutrient Charge - - nh3 na 1 0 na na - no2 na 0 -1 na na - no3 na 0 -1 na na - o2 na 0 na na na - co2 0 0 -1 -2 na - h2o na 0 -1 na na - h na 1 na na na - na na 1 na na na - cl na -1 na na na - - Type Charge - - aob na 0 na na na - nob na 0 na na na - dead na 0 na na na - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/rocket-run b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/rocket-run deleted file mode 100755 index 964809c39..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk-buffer7/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=40 -#SBATCH -c 1 -#SBATCH -N 1-1 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/Inputscript.lammps deleted file mode 100755 index b171b5529..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/Inputscript.lammps +++ /dev/null @@ -1,117 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 4 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group AOB type 1 -group NOB type 2 -group DEAD type 3 - -##############Define initial particle distribution############## - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.6 0.5 0.5 -region reg block 0 40 0 16 0 8 -create_atoms 1 region reg - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.1 0.5 0.5 -region reg2 block 0 40 0 16 0 8 -create_atoms 2 region reg2 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 1 mass 2.62e-16 -set type 2 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg3 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph dynamic ph 7.5 -fix ki2 all kinetics/thermo -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -#dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg3" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/atom.in b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/atom.in deleted file mode 100755 index d21bb5e73..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/atom.in +++ /dev/null @@ -1,130 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 3 atom types - 7 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 nh3 l pp pp nd 0.001765 0.001765 - 2 no2 l pp pp nd 1e-20 1e-20 - 3 no3 l pp pp nd 1e-20 1e-20 - 4 o2 l pp pp nd 2.81E-04 2.81E-04 - 5 co2 l pp pp nd 2e-3 2e-3 - 6 h2o l pp pp nd 1 1 - 7 h l pp pp nd 0 0 - - Type Name - - 1 aob - 2 nob - 3 dead - - Diffusion Coeffs - - nh3 1.958333e-9 - no2 1.911111e-9 - no3 1.902778e-9 - o2 2.1e-9 - co2 1.186111e-9 - h2o 0 - h 0 - - Ks - - aob 2.11e-6 0 0 9.38e-7 0 0 0 - nob 0 3.94e-09 0 1.88e-06 0 0 0 - dead 0 0 0 0 0 0 0 - - Consumption Rate - - aob 0.000057175 - nob 0.000110776 - dead 0 - - Yield - - aob 0.155468293 - nob 0.077734146 - dead 1 - - Maintenance - - aob 0.000001419 - nob 0.000001415 - dead 0 - - Electron Donor - - aob nh3 - nob no2 - dead h - - Decay - - aob 2.2665e-6 - nob 1.9167e-6 - dead 0 - - Catabolism Coeffs - - aob -1 1 0 -1.5 0 1 1 - nob 0 -1 1 -0.5 0 0 0 - dead 0 0 0 0 0 0 0 - - Anabolism Coeffs - - aob -0.9 0.7 0 0 -1 1.1 -1 - nob 0 -2.9 2.7 0 -1 0.2 -1 - dead 0 0 0 0 0 0 0 - - Decay Coeffs - - aob 0.2 0 0 0 1 0 0 - nob 0.2 0 0 0 1 0 0 - dead 0 0 0 0 0 0 0 - - Nutrient Energy - - nh3 inf -79.37 -26.57 inf inf 3 - no2 inf -50.60 -32.20 inf inf 2 - no3 inf -103.70 -111.30 inf inf 2 - o2 inf 16.4 inf inf inf 2 - co2 -386.00 -623.16 -586.85 -527.80 inf 3 - h2o inf -237.18 -157.3 inf inf 2 - h inf 0 inf inf inf 2 - - Type Energy - - aob inf -67 inf inf inf 2 - nob inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - aob 3500 - nob 3500 - dead 0 - - Nutrient Charge - - nh3 na 1 0 na na - no2 na 0 -1 na na - no3 na 0 -1 na na - o2 na 0 na na na - co2 0 0 -1 -2 na - h2o na 0 -1 na na - h na 1 na na na - - Type Charge - - aob na 0 na na na - nob na 0 na na na - dead na 0 na na na - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/rocket-run b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/rocket-run deleted file mode 100755 index 964809c39..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-dbulk/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=40 -#SBATCH -c 1 -#SBATCH -N 1-1 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/Inputscript.lammps deleted file mode 100755 index 3cbdab5f3..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/Inputscript.lammps +++ /dev/null @@ -1,117 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 4 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group AOB type 1 -group NOB type 2 -group DEAD type 3 - -##############Define initial particle distribution############## - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.6 0.5 0.5 -region reg block 0 40 0 16 0 8 -create_atoms 1 region reg - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.1 0.5 0.5 -region reg2 block 0 40 0 16 0 8 -create_atoms 2 region reg2 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 1 mass 2.62e-16 -set type 2 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg3 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph dynamic ph 7.5 -fix ki2 all kinetics/thermo -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -#dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg3" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/atom.in b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/atom.in deleted file mode 100755 index d21bb5e73..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/atom.in +++ /dev/null @@ -1,130 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 3 atom types - 7 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 nh3 l pp pp nd 0.001765 0.001765 - 2 no2 l pp pp nd 1e-20 1e-20 - 3 no3 l pp pp nd 1e-20 1e-20 - 4 o2 l pp pp nd 2.81E-04 2.81E-04 - 5 co2 l pp pp nd 2e-3 2e-3 - 6 h2o l pp pp nd 1 1 - 7 h l pp pp nd 0 0 - - Type Name - - 1 aob - 2 nob - 3 dead - - Diffusion Coeffs - - nh3 1.958333e-9 - no2 1.911111e-9 - no3 1.902778e-9 - o2 2.1e-9 - co2 1.186111e-9 - h2o 0 - h 0 - - Ks - - aob 2.11e-6 0 0 9.38e-7 0 0 0 - nob 0 3.94e-09 0 1.88e-06 0 0 0 - dead 0 0 0 0 0 0 0 - - Consumption Rate - - aob 0.000057175 - nob 0.000110776 - dead 0 - - Yield - - aob 0.155468293 - nob 0.077734146 - dead 1 - - Maintenance - - aob 0.000001419 - nob 0.000001415 - dead 0 - - Electron Donor - - aob nh3 - nob no2 - dead h - - Decay - - aob 2.2665e-6 - nob 1.9167e-6 - dead 0 - - Catabolism Coeffs - - aob -1 1 0 -1.5 0 1 1 - nob 0 -1 1 -0.5 0 0 0 - dead 0 0 0 0 0 0 0 - - Anabolism Coeffs - - aob -0.9 0.7 0 0 -1 1.1 -1 - nob 0 -2.9 2.7 0 -1 0.2 -1 - dead 0 0 0 0 0 0 0 - - Decay Coeffs - - aob 0.2 0 0 0 1 0 0 - nob 0.2 0 0 0 1 0 0 - dead 0 0 0 0 0 0 0 - - Nutrient Energy - - nh3 inf -79.37 -26.57 inf inf 3 - no2 inf -50.60 -32.20 inf inf 2 - no3 inf -103.70 -111.30 inf inf 2 - o2 inf 16.4 inf inf inf 2 - co2 -386.00 -623.16 -586.85 -527.80 inf 3 - h2o inf -237.18 -157.3 inf inf 2 - h inf 0 inf inf inf 2 - - Type Energy - - aob inf -67 inf inf inf 2 - nob inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - aob 3500 - nob 3500 - dead 0 - - Nutrient Charge - - nh3 na 1 0 na na - no2 na 0 -1 na na - no3 na 0 -1 na na - o2 na 0 na na na - co2 0 0 -1 -2 na - h2o na 0 -1 na na - h na 1 na na na - - Type Charge - - aob na 0 na na na - nob na 0 na na na - dead na 0 na na na - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/rocket-run b/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/rocket-run deleted file mode 100755 index 964809c39..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/dph-fbulk/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=40 -#SBATCH -c 1 -#SBATCH -N 1-1 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/Inputscript.lammps deleted file mode 100755 index 182c3ce69..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/Inputscript.lammps +++ /dev/null @@ -1,117 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 4 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group AOB type 1 -group NOB type 2 -group DEAD type 3 - -##############Define initial particle distribution############## - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.6 0.5 0.5 -region reg block 0 40 0 16 0 8 -create_atoms 1 region reg - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.1 0.5 0.5 -region reg2 block 0 40 0 16 0 8 -create_atoms 2 region reg2 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 1 mass 2.62e-16 -set type 2 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg3 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph fix ph 7.5 -fix ki2 all kinetics/thermo -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg3" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/atom.in b/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/atom.in deleted file mode 100755 index d21bb5e73..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/atom.in +++ /dev/null @@ -1,130 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 3 atom types - 7 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 nh3 l pp pp nd 0.001765 0.001765 - 2 no2 l pp pp nd 1e-20 1e-20 - 3 no3 l pp pp nd 1e-20 1e-20 - 4 o2 l pp pp nd 2.81E-04 2.81E-04 - 5 co2 l pp pp nd 2e-3 2e-3 - 6 h2o l pp pp nd 1 1 - 7 h l pp pp nd 0 0 - - Type Name - - 1 aob - 2 nob - 3 dead - - Diffusion Coeffs - - nh3 1.958333e-9 - no2 1.911111e-9 - no3 1.902778e-9 - o2 2.1e-9 - co2 1.186111e-9 - h2o 0 - h 0 - - Ks - - aob 2.11e-6 0 0 9.38e-7 0 0 0 - nob 0 3.94e-09 0 1.88e-06 0 0 0 - dead 0 0 0 0 0 0 0 - - Consumption Rate - - aob 0.000057175 - nob 0.000110776 - dead 0 - - Yield - - aob 0.155468293 - nob 0.077734146 - dead 1 - - Maintenance - - aob 0.000001419 - nob 0.000001415 - dead 0 - - Electron Donor - - aob nh3 - nob no2 - dead h - - Decay - - aob 2.2665e-6 - nob 1.9167e-6 - dead 0 - - Catabolism Coeffs - - aob -1 1 0 -1.5 0 1 1 - nob 0 -1 1 -0.5 0 0 0 - dead 0 0 0 0 0 0 0 - - Anabolism Coeffs - - aob -0.9 0.7 0 0 -1 1.1 -1 - nob 0 -2.9 2.7 0 -1 0.2 -1 - dead 0 0 0 0 0 0 0 - - Decay Coeffs - - aob 0.2 0 0 0 1 0 0 - nob 0.2 0 0 0 1 0 0 - dead 0 0 0 0 0 0 0 - - Nutrient Energy - - nh3 inf -79.37 -26.57 inf inf 3 - no2 inf -50.60 -32.20 inf inf 2 - no3 inf -103.70 -111.30 inf inf 2 - o2 inf 16.4 inf inf inf 2 - co2 -386.00 -623.16 -586.85 -527.80 inf 3 - h2o inf -237.18 -157.3 inf inf 2 - h inf 0 inf inf inf 2 - - Type Energy - - aob inf -67 inf inf inf 2 - nob inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - aob 3500 - nob 3500 - dead 0 - - Nutrient Charge - - nh3 na 1 0 na na - no2 na 0 -1 na na - no3 na 0 -1 na na - o2 na 0 na na na - co2 0 0 -1 -2 na - h2o na 0 -1 na na - h na 1 na na na - - Type Charge - - aob na 0 na na na - nob na 0 na na na - dead na 0 na na na - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/rocket-run b/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/rocket-run deleted file mode 100755 index 964809c39..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-dbulk/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=40 -#SBATCH -c 1 -#SBATCH -N 1-1 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/Inputscript.lammps deleted file mode 100755 index 2482ab6df..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/Inputscript.lammps +++ /dev/null @@ -1,117 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 5 1 10 - -comm_modify vel yes -read_data_bio atom.in - -group AOB type 1 -group NOB type 2 -group DEAD type 3 - -##############Define initial particle distribution############## - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.6 0.5 0.5 -region reg block 0 40 0 16 0 8 -create_atoms 1 region reg - -lattice custom 1.25e-6 a1 2 0 0 a2 0 1 0 a3 0 0 1 basis 0.1 0.5 0.5 -region reg2 block 0 40 0 16 0 8 -create_atoms 2 region reg2 - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 1 mass 2.62e-16 -set type 2 mass 2.62e-16 - -lattice sc 1e-5 origin 0 0 0 -region reg3 block 0 10 0 2 25 28 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 720 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 3e-04 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 3e-04 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 4e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 50 10 150 v_diffT v_layer demflag 0 niter 20000 devery 10 -fix ki3 all kinetics/ph fix ph 7.5 -fix ki2 all kinetics/thermo -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 100100 grid_%_*.vti con hyd -dump du3 all vtk 100100 snapshot_*.vtu id type diameter x y z -dump du4 all bio/hdf5 100100 dump_*.h5 id type radius x y z con cat ana hyd -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"delete_atoms region reg3" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 720" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/atom.in b/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/atom.in deleted file mode 100755 index d21bb5e73..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/atom.in +++ /dev/null @@ -1,130 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 3 atom types - 7 nutrients - - 0.0 1e-04 xlo xhi - 0.0 2e-05 ylo yhi - 0.0 3.0e-04 zlo zhi - - Atoms - - Nutrients - - 1 nh3 l pp pp nd 0.001765 0.001765 - 2 no2 l pp pp nd 1e-20 1e-20 - 3 no3 l pp pp nd 1e-20 1e-20 - 4 o2 l pp pp nd 2.81E-04 2.81E-04 - 5 co2 l pp pp nd 2e-3 2e-3 - 6 h2o l pp pp nd 1 1 - 7 h l pp pp nd 0 0 - - Type Name - - 1 aob - 2 nob - 3 dead - - Diffusion Coeffs - - nh3 1.958333e-9 - no2 1.911111e-9 - no3 1.902778e-9 - o2 2.1e-9 - co2 1.186111e-9 - h2o 0 - h 0 - - Ks - - aob 2.11e-6 0 0 9.38e-7 0 0 0 - nob 0 3.94e-09 0 1.88e-06 0 0 0 - dead 0 0 0 0 0 0 0 - - Consumption Rate - - aob 0.000057175 - nob 0.000110776 - dead 0 - - Yield - - aob 0.155468293 - nob 0.077734146 - dead 1 - - Maintenance - - aob 0.000001419 - nob 0.000001415 - dead 0 - - Electron Donor - - aob nh3 - nob no2 - dead h - - Decay - - aob 2.2665e-6 - nob 1.9167e-6 - dead 0 - - Catabolism Coeffs - - aob -1 1 0 -1.5 0 1 1 - nob 0 -1 1 -0.5 0 0 0 - dead 0 0 0 0 0 0 0 - - Anabolism Coeffs - - aob -0.9 0.7 0 0 -1 1.1 -1 - nob 0 -2.9 2.7 0 -1 0.2 -1 - dead 0 0 0 0 0 0 0 - - Decay Coeffs - - aob 0.2 0 0 0 1 0 0 - nob 0.2 0 0 0 1 0 0 - dead 0 0 0 0 0 0 0 - - Nutrient Energy - - nh3 inf -79.37 -26.57 inf inf 3 - no2 inf -50.60 -32.20 inf inf 2 - no3 inf -103.70 -111.30 inf inf 2 - o2 inf 16.4 inf inf inf 2 - co2 -386.00 -623.16 -586.85 -527.80 inf 3 - h2o inf -237.18 -157.3 inf inf 2 - h inf 0 inf inf inf 2 - - Type Energy - - aob inf -67 inf inf inf 2 - nob inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - aob 3500 - nob 3500 - dead 0 - - Nutrient Charge - - nh3 na 1 0 na na - no2 na 0 -1 na na - no3 na 0 -1 na na - o2 na 0 na na na - co2 0 0 -1 -2 na - h2o na 0 -1 na na - h na 1 na na na - - Type Charge - - aob na 0 na na na - nob na 0 na na na - dead na 0 na na na - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/rocket-run b/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/rocket-run deleted file mode 100755 index a8ccc922e..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/fph-fbulk/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=50 -#SBATCH -c 1 -#SBATCH -N 1-2 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/Allclean.sh b/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/Inputscript.lammps b/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/Inputscript.lammps deleted file mode 100755 index 8644be727..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/Inputscript.lammps +++ /dev/null @@ -1,109 +0,0 @@ -# NUFEB simulation -units si -atom_style bio -atom_modify map array sort 100 5.0e-7 -boundary pp pp ff -newton off -processors 2 2 * - -comm_modify vel yes -read_data_bio atom.in - -group AOB type 1 -group NOB type 2 -group DEAD type 3 - -##############Define initial particle distribution############## - -lattice sc 2e-6 origin 0 0 0 -region reg block 0 25 0 20 0 1 -create_atoms 1 random 100 13321 reg -create_atoms 2 random 100 1321 reg - -set type 1 density 290 -set type 1 diameter 1.2e-6 -set type 1 mass 2.62e-16 -set type 2 density 290 -set type 2 diameter 1.2e-6 -set type 2 mass 2.62e-16 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 1800 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500 NULL 1.5 0 zplane 0.0 5e-05 - -variable kanc equal 0 -fix zwa all walladh v_kanc zplane 0.0 5e-05 - -variable ke equal 5e+9 -#fix j1 all epsadh 1 v_ke 1 - -##############Ibm Variable Definitions############## - -#Defining EPS density and ratio variables -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix division -variable divDia equal 1.25e-6 - -#Defining diffusion variables -variable diffT equal 1e-4 -variable tol equal 1e-7 -variable etaHET equal 0.0 -variable layer equal 2e-5 - -#variables used in fix death -variable deadDia equal 5.85e-7 - -##############Ibm functions############## - -fix k1 all kinetics 1 25 20 25 v_diffT v_layer demflag 0 niter 5000 -fix ki3 all kinetics/ph fix ph 7.5 -fix ki2 all kinetics/thermo -fix ki1 all kinetics/growth/energy v_EPSdens -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2 -fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Ibm compute############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myAvgs all avg_con -compute myPh all avg_ph - -##############Simulation outputs############## - -thermo_style custom step cpu atoms c_myNtypes[2] c_myNtypes[3] c_myNtypes[4] c_myMass[*] -dump du0 all bio 10010 biomass ntypes bulk avg_con avg_ph -dump du2 all grid 10010 grid_%_*.vti con hyd -dump du3 all vtk 10010 snapshot_*.vtu id type diameter x y z -thermo 1001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 12000 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"timestep 0.1" & -"run 1000 pre no post no" & -"timestep 1800" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & - - - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/atom.in b/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/atom.in deleted file mode 100755 index 2ae73c8cc..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/atom.in +++ /dev/null @@ -1,130 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 3 atom types - 7 nutrients - - 0.0 5e-05 xlo xhi - 0.0 4e-05 ylo yhi - 0.0 5e-05 zlo zhi - - Atoms - - Nutrients - - 1 nh3 l pp pp nd 0.001765 0.001765 - 2 no2 l pp pp nd 1e-20 1e-20 - 3 no3 l pp pp nd 1e-20 1e-20 - 4 o2 l pp pp nd 2.81E-04 2.81E-04 - 5 co2 l pp pp nd 2e-3 2e-3 - 6 h2o l pp pp nd 1 1 - 7 h l pp pp nd 0 0 - - Type Name - - 1 aob - 2 nob - 3 dead - - Diffusion Coeffs - - nh3 1.958333e-9 - no2 1.911111e-9 - no3 1.902778e-9 - o2 2.1e-9 - co2 1.186111e-9 - h2o 0 - h 0 - - Ks - - aob 2.11e-6 0 0 9.38e-7 0 0 0 - nob 0 3.94e-09 0 1.88e-06 0 0 0 - dead 0 0 0 0 0 0 0 - - Consumption Rate - - aob 0.000057175 - nob 0.000110776 - dead 0 - - Yield - - aob 0.155468293 - nob 0.077734146 - dead 1 - - Maintenance - - aob 0.000001419 - nob 0.000001415 - dead 0 - - Electron Donor - - aob nh3 - nob no2 - dead h - - Decay - - aob 2.2665e-6 - nob 1.9167e-6 - dead 0 - - Catabolism Coeffs - - aob -1 1 0 -1.5 0 1 1 - nob 0 -1 1 -0.5 0 0 0 - dead 0 0 0 0 0 0 0 - - Anabolism Coeffs - - aob -0.9 0.7 0 0 -1 1.1 -1 - nob 0 -2.9 2.7 0 -1 0.2 -1 - dead 0 0 0 0 0 0 0 - - Decay Coeffs - - aob 0.2 0 0 0 1 0 0 - nob 0.2 0 0 0 1 0 0 - dead 0 0 0 0 0 0 0 - - Nutrient Energy - - nh3 inf -79.37 -26.57 inf inf 3 - no2 inf -50.60 -32.20 inf inf 2 - no3 inf -103.70 -111.30 inf inf 2 - o2 inf 16.4 inf inf inf 2 - co2 -386.00 -623.16 -586.85 -527.80 inf 3 - h2o inf -237.18 -157.3 inf inf 2 - h inf 0 inf inf inf 2 - - Type Energy - - aob inf -67 inf inf inf 2 - nob inf -67 inf inf inf 2 - dead inf -67 inf inf inf 2 - - Dissipation - - aob 3500 - nob 3500 - dead 0 - - Nutrient Charge - - nh3 na 1 0 na na - no2 na 0 -1 na na - no3 na 0 -1 na na - o2 na 0 na na na - co2 0 0 -1 -2 na - h2o na 0 -1 na na - h na 1 na na na - - Type Charge - - aob na 0 na na na - nob na 0 na na na - dead na 0 na na na - diff --git a/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/rocket-run b/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/rocket-run deleted file mode 100755 index 964809c39..000000000 --- a/examples/PAPER-CHEMICAL-IBM/nitrification/nitrification-small/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=40 -#SBATCH -c 1 -#SBATCH -N 1-1 -module load intel -module load HDF5/1.10.1-intel-2017.03-GCC-6.3 - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/Ua b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/Ua deleted file mode 100755 index 0c3d07327..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/Ua +++ /dev/null @@ -1,75 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ua; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - // type fixedValue; - // value uniform (0 0 0); - type slip; - - } - - top - { - type slip; - - //type fixedValue; - // value uniform (0 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/Ub b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/Ub deleted file mode 100755 index ac008e5d9..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/Ub +++ /dev/null @@ -1,72 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ub; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - type fixedValue; - value uniform (0 0 0); - } - - top - { - type fixedValue; - // value uniform (0.01 0 0); - value uniform (-0.1 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/alpha b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/alpha deleted file mode 100755 index b80b4ed81..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/alpha +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object alpha; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/epsilon b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/epsilon deleted file mode 100755 index d35aad5f4..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/epsilon +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object epsilon; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.1; - -boundaryField -{ - top - { - type fixedValue; - value uniform 0.1; - } - - bottom - { - type inletOutlet; - inletValue uniform 0.1; - value uniform 0.1; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/k b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/k deleted file mode 100755 index de84af62c..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/k +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object k; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 1e-8; - -boundaryField -{ - top - { - type fixedValue; - value uniform 1e-8; - } - - bottom - { - type inletOutlet; - inletValue uniform 1e-8; - value uniform 1e-8; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/nut b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/nut deleted file mode 100755 index 2ec671ca4..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/nut +++ /dev/null @@ -1,78 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object nut; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type calculated; - value uniform 0.0; - } - - bottom - { - type calculated; - value uniform 0.0; - } - - right - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - - left - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/p b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/p deleted file mode 100755 index 8e8c9a143..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/0/p +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object p; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/Allclean.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/Allclean.sh deleted file mode 100755 index 7faa187a3..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/Allclean.sh +++ /dev/null @@ -1,16 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -cd constant/polyMesh -rm -rf boundary points faces neighbour owner -cd ../.. -rm -rf data/singleParticle.dat -rm -rf data/*.pdf -rm -rf processor* -rm -rf *[1-9]* -rm -rf probes -rm -rf sets -rm log.* -rm snapshot.* -rm log -rm -rf Results diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/AllrunParallel.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/AllrunParallel.sh deleted file mode 100755 index a570942d2..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/AllrunParallel.sh +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -./Allclean.sh - -blockMesh > log.blockMesh -decomposePar > log.decomposePar -mpirun -np 4 lammpsFoam -parallel diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/atom.restart.in b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/atom.restart.in deleted file mode 100755 index 9dbf176b9..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/atom.restart.in +++ /dev/null @@ -1,59 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 2 atom types - 2 nutrients - - 0.000000e-04 1.000000e-04 xlo xhi - 0.000000e-04 4.000000e-05 ylo yhi - 0.000000e-04 4.000000e-05 zlo zhi - - Atoms - - - Nutrients - - 1 sub l pp pp nd 1e-4 1e-4 - 2 o2 l pp pp nd 1e-4 1e-4 - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Type Name - - 1 het - 2 eps - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Ks - - het 3.5e-5 0 - eps 0 0 - - Growth Rate - - het 0.00028 - eps 0 - - Yield - - het 0.61 - eps 0.18 - - Maintenance - - het 0 - eps 0 - - Decay - - het 0 - eps 0 - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/cloudProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/cloudProperties deleted file mode 100755 index b8bd6910b..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/cloudProperties +++ /dev/null @@ -1,49 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.0 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object sprayProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -interpolationSchemes -{ - U cellPointFace; -} - -g (0 0 0); - -dragModel SyamlalOBrien; -subCycles 34; -diffusionBandWidth 10e-6; - -//diffusionBandWidth 20e-6; -//maxPossibleAlpha 0.8; - -particleDrag 1; -particlePressureGrad 0; -particleAddedMass 0; -lubricationForce 0; -particleLift 0; -particleHistoryForce 0; - -deleteParticle 1; - - -deleteParticleBox (0 0.000002 0 0.00004 0 0.00004 0 0 0); // x1x2y1y2z1z2; diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/environmentalProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/environmentalProperties deleted file mode 100755 index cc7446508..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/environmentalProperties +++ /dev/null @@ -1,28 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object environmentalProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -g g [0 1 -2 0 0 0 0] (0 0 0); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/polyMesh/blockMeshDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/polyMesh/blockMeshDict deleted file mode 100755 index e74953a2d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,115 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0001 0.00 0.0) - (0.0001 0.00004 0.0) - (0.00 0.00004 0.0) - (0.00 0.00 0.00004) - (0.0001 0.00 0.00004) - (0.0001 0.00004 0.00004) - (0.00 0.00004 0.00004) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (10 10 25) simpleGrading (1 1 1) - - // hex (0 1 2 3 4 5 6 7) (12 5 12) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/polyMesh/blockMeshDict2 b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/polyMesh/blockMeshDict2 deleted file mode 100755 index 62e02e46d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/polyMesh/blockMeshDict2 +++ /dev/null @@ -1,113 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0001 0.00 0.0) - (0.0001 0.00004 0.0) - (0.00 0.00004 0.0) - (0.00 0.00 0.0001) - (0.0001 0.00 0.0001) - (0.0001 0.00004 0.0001) - (0.00 0.00004 0.0001) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (25 10 25) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/transportProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/transportProperties deleted file mode 100755 index ee899cb57..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/transportProperties +++ /dev/null @@ -1,52 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object transportProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -rhoa rhoa [1 -3 0 0 0 0 0] 1000; // density of the particle - -rhob rhob [1 -3 0 0 0 0 0] 1000; // density of the carrier - -nua nua [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the particle (defined but not used) - -nub nub [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the carrier - -da da [0 1 0 0 0 0 0] 0.8e-6; // diameter of the particle - -// db db [0 1 0 0 0 0 0] 0.1; // not using - -Cvm Cvm [0 0 0 0 0 0 0] 0.0; // some coefficient for UEqn (taken as zero) - -Cl Cl [0 0 0 0 0 0 0] 0; // lift coefficient (taken as zero) - -Ct Ct [0 0 0 0 0 0 0] 1; // some coefficient used in the turbulence (defined but not used) - -continousPhaseName water; - -rho.water 1; - -transportModel Newtonian; - -nu 1e-6; - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/turbulenceProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/turbulenceProperties deleted file mode 100755 index 3637150f2..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/constant/turbulenceProperties +++ /dev/null @@ -1,62 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object turbulenceProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -turbulenceModel laminar; - -turbulence off; - -laminarCoeffs -{ -} - -kEpsilonCoeffs -{ - Cmu Cmu [0 0 0 0 0 0 0] 0.09; - C1 C1 [0 0 0 0 0 0 0] 1.44; - C2 C2 [0 0 0 0 0 0 0] 1.92; - alphak alphak [0 0 0 0 0 0 0] 1; - alphaEps alphaEps [0 0 0 0 0 0 0] 0.76923; -} - -wallFunctionCoeffs -{ - kappa kappa [0 0 0 0 0 0 0] 0.4187; - E E [0 0 0 0 0 0 0] 9; -} - -simulationType LES; -LES -{ - LESModel Smagorinsky; - turbulence on; - printCoeffs on; - delta cubeRootVol; - - cubeRootVolCoeffs - { - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/in.lammps b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/in.lammps deleted file mode 100755 index 38e780132..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/in.lammps +++ /dev/null @@ -1,87 +0,0 @@ -# NUFEB simulation - -atom_style bio -atom_modify map array sort 1000 5.0e-7 -boundary ff pp pp -newton off - -processors 4 1 1 -comm_modify vel yes - -read_data_bio atom.restart.in -read_bio_restart restart.data - -group HET type 1 -group EPS type 2 - -region bed block 0 1e-4 0 4e-5 0 2e-6 units box -region del block 0 99.5e-6 0.5e-6 39.5e-6 0 INF units box - -group bed1 region bed -group del1 region del - -group moving subtract all bed1 -group deleting subtract all del1 - -velocity all set 0.0 0.0 0.0 - -change_box all boundary p p p -change_box all z final 0 4e-05 - -set type 1 diameter 0.8e-6 -set type 2 diameter 0.8e-6 -set type 1 mass 2.68083e-16 -set type 2 mass 2.68083e-16 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1 NULL 1.e6 NULL 0.0 1 -pair_coeff * * - -timestep 1e-8 - -fix 1 moving nve/sphere - -delete_atoms group deleting - -variable kanc equal 5e+5 - -fix fco all cohesive 1e-16 1 1e-8 1e-6 1 - -variable pfx equal 0.0 -variable pfy equal 0.0 -variable pfz equal 0.0 - -fix fd all fdrag 1000 - -#Defining nufebFoam variables -variable bioSteps equal 0 -variable bioDt equal 1 -variable nloops equal 1 - -#variables used in fix kinetics -variable diffT equal 1e-4 -variable layer equal -1 - -##############Define IBm Computes############## - -compute myMass all biomass -compute myRough all roughness - -fix k1 all kinetics 100000 25 10 10 v_diffT v_layer niter 1 -fix cfd1 all sedifoam v_bioSteps v_bioDt v_nloops - -##############Simulation Output############## -#dump du3 all custom/vtk 1000 snapshot%_*.vtu id type diameter x y z - -dump d0 all bio 6800 biomass roughness - -thermo_style custom step cpu atoms -thermo 100 -thermo_modify lost error - - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/restart.data b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/restart.data deleted file mode 100755 index 36dd6a328..000000000 Binary files a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/restart.data and /dev/null differ diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/controlDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/controlDict deleted file mode 100755 index 54067ea01..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/controlDict +++ /dev/null @@ -1,55 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom startTime; - -startTime 0; - -stopAt endTime; - -endTime 0.05; - -deltaT 0.000001; - -writeControl runTime; - -writeInterval 0.00002; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/controlDiffDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/controlDiffDict deleted file mode 100755 index bcd38160b..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/controlDiffDict +++ /dev/null @@ -1,87 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom latestTime; - -startTime 0; - -stopAt endTime; - -endTime 30; - -deltaT 0.001; - -writeControl runTime; - -writeInterval 0.5; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -functions -{ - probes - { - type probes; - functionObjectLibs ("libsampling.so"); - outputControl timeStep; - outputInterval 1; - probeLocations - ( - (0.02 0.002 0.003) - (0.02 0.16 0.003) - (0.01 0.002 0.003) - (0.01 0.16 0.003) - (0.002 0.002 0.003) - (0.002 0.16 0.003) - (0.002 0.04 0.003) - (0.038 0.002 0.003) - (0.038 0.04 0.003) - (0.03 0.002 0.003) - (0.03 0.04 0.003) - ); - fields - ( - p - Ub - ); - } - -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/decomposeParDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/decomposeParDict deleted file mode 100755 index 643932dc0..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/decomposeParDict +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 4; - -method simple; - -simpleCoeffs -{ - n (4 1 1); - delta 0.001; -} - -hierarchicalCoeffs -{ - // n (1 1 1); - // delta 0.001; - // order xyz; -} - -metisCoeffs -{ -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/fvSchemes b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/fvSchemes deleted file mode 100755 index 72f613d59..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/fvSchemes +++ /dev/null @@ -1,77 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSchemes; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; -} - -divSchemes -{ - default none; - div(phia,Ua) Gauss limitedLinearV 1; - div(phib,Ub) Gauss limitedLinearV 1; - div(phib,k) Gauss limitedLinear 1; - div(phib,epsilon) Gauss limitedLinear 1; - div(phi,alpha) Gauss limitedLinear01 1; - div((-nuEffa*grad(Ua).T())) Gauss linear; - div((-nuEffb*grad(Ub).T())) Gauss linear; - div(((beta*nuEff)*dev2(T(grad(Ub))))) Gauss linear; -} - -laplacianSchemes -{ - default none; - laplacian(nuEffa,Ua) Gauss linear corrected; - laplacian(nuEffb,Ub) Gauss linear corrected; - laplacian((rho*(1|A(U))),p) Gauss linear corrected; - laplacian(1,alpha) Gauss linear corrected; - laplacian(DT,tempDiffScalar) Gauss linear corrected; - laplacian(DT,tempDiffVector) Gauss linear corrected; - laplacian((beta*nuEff),Ub) Gauss linear corrected; -} - -interpolationSchemes -{ - default linear; -} - -snGradSchemes -{ - default corrected; -} - -fluxRequired -{ - default no; - p; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/fvSolution b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/fvSolution deleted file mode 100755 index 9ea78fdc3..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.1u/system/fvSolution +++ /dev/null @@ -1,123 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSolution; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -solvers -{ -p -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -Ua -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -Ub -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -alpha -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -tempDiffScalar -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -tempDiffVector -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -beta -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -k -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -epsilon -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -} - -PISO -{ - nCorrectors 2; - nNonOrthogonalCorrectors 0; - nAlphaCorr 2; - correctAlpha no; - pRefCell 0; - pRefValue 0; -} - -SIMPLE -{ - nNonOrthogonalCorrectors 0; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/Ua b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/Ua deleted file mode 100755 index 0c3d07327..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/Ua +++ /dev/null @@ -1,75 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ua; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - // type fixedValue; - // value uniform (0 0 0); - type slip; - - } - - top - { - type slip; - - //type fixedValue; - // value uniform (0 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/Ub b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/Ub deleted file mode 100755 index 91ae004a5..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/Ub +++ /dev/null @@ -1,72 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ub; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - type fixedValue; - value uniform (0 0 0); - } - - top - { - type fixedValue; - // value uniform (0.01 0 0); - value uniform (-0.2 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/alpha b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/alpha deleted file mode 100755 index b80b4ed81..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/alpha +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object alpha; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/epsilon b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/epsilon deleted file mode 100755 index d35aad5f4..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/epsilon +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object epsilon; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.1; - -boundaryField -{ - top - { - type fixedValue; - value uniform 0.1; - } - - bottom - { - type inletOutlet; - inletValue uniform 0.1; - value uniform 0.1; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/k b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/k deleted file mode 100755 index de84af62c..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/k +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object k; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 1e-8; - -boundaryField -{ - top - { - type fixedValue; - value uniform 1e-8; - } - - bottom - { - type inletOutlet; - inletValue uniform 1e-8; - value uniform 1e-8; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/nut b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/nut deleted file mode 100755 index 2ec671ca4..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/nut +++ /dev/null @@ -1,78 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object nut; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type calculated; - value uniform 0.0; - } - - bottom - { - type calculated; - value uniform 0.0; - } - - right - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - - left - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/p b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/p deleted file mode 100755 index 8e8c9a143..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/0/p +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object p; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/Allclean.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/Allclean.sh deleted file mode 100755 index 7faa187a3..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/Allclean.sh +++ /dev/null @@ -1,16 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -cd constant/polyMesh -rm -rf boundary points faces neighbour owner -cd ../.. -rm -rf data/singleParticle.dat -rm -rf data/*.pdf -rm -rf processor* -rm -rf *[1-9]* -rm -rf probes -rm -rf sets -rm log.* -rm snapshot.* -rm log -rm -rf Results diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/AllrunParallel.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/AllrunParallel.sh deleted file mode 100755 index a570942d2..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/AllrunParallel.sh +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -./Allclean.sh - -blockMesh > log.blockMesh -decomposePar > log.decomposePar -mpirun -np 4 lammpsFoam -parallel diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/atom.restart.in b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/atom.restart.in deleted file mode 100755 index 9dbf176b9..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/atom.restart.in +++ /dev/null @@ -1,59 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 2 atom types - 2 nutrients - - 0.000000e-04 1.000000e-04 xlo xhi - 0.000000e-04 4.000000e-05 ylo yhi - 0.000000e-04 4.000000e-05 zlo zhi - - Atoms - - - Nutrients - - 1 sub l pp pp nd 1e-4 1e-4 - 2 o2 l pp pp nd 1e-4 1e-4 - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Type Name - - 1 het - 2 eps - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Ks - - het 3.5e-5 0 - eps 0 0 - - Growth Rate - - het 0.00028 - eps 0 - - Yield - - het 0.61 - eps 0.18 - - Maintenance - - het 0 - eps 0 - - Decay - - het 0 - eps 0 - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/cloudProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/cloudProperties deleted file mode 100755 index b8bd6910b..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/cloudProperties +++ /dev/null @@ -1,49 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.0 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object sprayProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -interpolationSchemes -{ - U cellPointFace; -} - -g (0 0 0); - -dragModel SyamlalOBrien; -subCycles 34; -diffusionBandWidth 10e-6; - -//diffusionBandWidth 20e-6; -//maxPossibleAlpha 0.8; - -particleDrag 1; -particlePressureGrad 0; -particleAddedMass 0; -lubricationForce 0; -particleLift 0; -particleHistoryForce 0; - -deleteParticle 1; - - -deleteParticleBox (0 0.000002 0 0.00004 0 0.00004 0 0 0); // x1x2y1y2z1z2; diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/environmentalProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/environmentalProperties deleted file mode 100755 index cc7446508..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/environmentalProperties +++ /dev/null @@ -1,28 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object environmentalProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -g g [0 1 -2 0 0 0 0] (0 0 0); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/polyMesh/blockMeshDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/polyMesh/blockMeshDict deleted file mode 100755 index e74953a2d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,115 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0001 0.00 0.0) - (0.0001 0.00004 0.0) - (0.00 0.00004 0.0) - (0.00 0.00 0.00004) - (0.0001 0.00 0.00004) - (0.0001 0.00004 0.00004) - (0.00 0.00004 0.00004) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (10 10 25) simpleGrading (1 1 1) - - // hex (0 1 2 3 4 5 6 7) (12 5 12) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/polyMesh/blockMeshDict2 b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/polyMesh/blockMeshDict2 deleted file mode 100755 index 62e02e46d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/polyMesh/blockMeshDict2 +++ /dev/null @@ -1,113 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0001 0.00 0.0) - (0.0001 0.00004 0.0) - (0.00 0.00004 0.0) - (0.00 0.00 0.0001) - (0.0001 0.00 0.0001) - (0.0001 0.00004 0.0001) - (0.00 0.00004 0.0001) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (25 10 25) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/transportProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/transportProperties deleted file mode 100755 index ee899cb57..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/transportProperties +++ /dev/null @@ -1,52 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object transportProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -rhoa rhoa [1 -3 0 0 0 0 0] 1000; // density of the particle - -rhob rhob [1 -3 0 0 0 0 0] 1000; // density of the carrier - -nua nua [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the particle (defined but not used) - -nub nub [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the carrier - -da da [0 1 0 0 0 0 0] 0.8e-6; // diameter of the particle - -// db db [0 1 0 0 0 0 0] 0.1; // not using - -Cvm Cvm [0 0 0 0 0 0 0] 0.0; // some coefficient for UEqn (taken as zero) - -Cl Cl [0 0 0 0 0 0 0] 0; // lift coefficient (taken as zero) - -Ct Ct [0 0 0 0 0 0 0] 1; // some coefficient used in the turbulence (defined but not used) - -continousPhaseName water; - -rho.water 1; - -transportModel Newtonian; - -nu 1e-6; - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/turbulenceProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/turbulenceProperties deleted file mode 100755 index 3637150f2..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/constant/turbulenceProperties +++ /dev/null @@ -1,62 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object turbulenceProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -turbulenceModel laminar; - -turbulence off; - -laminarCoeffs -{ -} - -kEpsilonCoeffs -{ - Cmu Cmu [0 0 0 0 0 0 0] 0.09; - C1 C1 [0 0 0 0 0 0 0] 1.44; - C2 C2 [0 0 0 0 0 0 0] 1.92; - alphak alphak [0 0 0 0 0 0 0] 1; - alphaEps alphaEps [0 0 0 0 0 0 0] 0.76923; -} - -wallFunctionCoeffs -{ - kappa kappa [0 0 0 0 0 0 0] 0.4187; - E E [0 0 0 0 0 0 0] 9; -} - -simulationType LES; -LES -{ - LESModel Smagorinsky; - turbulence on; - printCoeffs on; - delta cubeRootVol; - - cubeRootVolCoeffs - { - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/in.lammps b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/in.lammps deleted file mode 100755 index 38e780132..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/in.lammps +++ /dev/null @@ -1,87 +0,0 @@ -# NUFEB simulation - -atom_style bio -atom_modify map array sort 1000 5.0e-7 -boundary ff pp pp -newton off - -processors 4 1 1 -comm_modify vel yes - -read_data_bio atom.restart.in -read_bio_restart restart.data - -group HET type 1 -group EPS type 2 - -region bed block 0 1e-4 0 4e-5 0 2e-6 units box -region del block 0 99.5e-6 0.5e-6 39.5e-6 0 INF units box - -group bed1 region bed -group del1 region del - -group moving subtract all bed1 -group deleting subtract all del1 - -velocity all set 0.0 0.0 0.0 - -change_box all boundary p p p -change_box all z final 0 4e-05 - -set type 1 diameter 0.8e-6 -set type 2 diameter 0.8e-6 -set type 1 mass 2.68083e-16 -set type 2 mass 2.68083e-16 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1 NULL 1.e6 NULL 0.0 1 -pair_coeff * * - -timestep 1e-8 - -fix 1 moving nve/sphere - -delete_atoms group deleting - -variable kanc equal 5e+5 - -fix fco all cohesive 1e-16 1 1e-8 1e-6 1 - -variable pfx equal 0.0 -variable pfy equal 0.0 -variable pfz equal 0.0 - -fix fd all fdrag 1000 - -#Defining nufebFoam variables -variable bioSteps equal 0 -variable bioDt equal 1 -variable nloops equal 1 - -#variables used in fix kinetics -variable diffT equal 1e-4 -variable layer equal -1 - -##############Define IBm Computes############## - -compute myMass all biomass -compute myRough all roughness - -fix k1 all kinetics 100000 25 10 10 v_diffT v_layer niter 1 -fix cfd1 all sedifoam v_bioSteps v_bioDt v_nloops - -##############Simulation Output############## -#dump du3 all custom/vtk 1000 snapshot%_*.vtu id type diameter x y z - -dump d0 all bio 6800 biomass roughness - -thermo_style custom step cpu atoms -thermo 100 -thermo_modify lost error - - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/restart.data b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/restart.data deleted file mode 100755 index 36dd6a328..000000000 Binary files a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/restart.data and /dev/null differ diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/controlDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/controlDict deleted file mode 100755 index 54067ea01..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/controlDict +++ /dev/null @@ -1,55 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom startTime; - -startTime 0; - -stopAt endTime; - -endTime 0.05; - -deltaT 0.000001; - -writeControl runTime; - -writeInterval 0.00002; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/controlDiffDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/controlDiffDict deleted file mode 100755 index bcd38160b..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/controlDiffDict +++ /dev/null @@ -1,87 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom latestTime; - -startTime 0; - -stopAt endTime; - -endTime 30; - -deltaT 0.001; - -writeControl runTime; - -writeInterval 0.5; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -functions -{ - probes - { - type probes; - functionObjectLibs ("libsampling.so"); - outputControl timeStep; - outputInterval 1; - probeLocations - ( - (0.02 0.002 0.003) - (0.02 0.16 0.003) - (0.01 0.002 0.003) - (0.01 0.16 0.003) - (0.002 0.002 0.003) - (0.002 0.16 0.003) - (0.002 0.04 0.003) - (0.038 0.002 0.003) - (0.038 0.04 0.003) - (0.03 0.002 0.003) - (0.03 0.04 0.003) - ); - fields - ( - p - Ub - ); - } - -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/decomposeParDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/decomposeParDict deleted file mode 100755 index 643932dc0..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/decomposeParDict +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 4; - -method simple; - -simpleCoeffs -{ - n (4 1 1); - delta 0.001; -} - -hierarchicalCoeffs -{ - // n (1 1 1); - // delta 0.001; - // order xyz; -} - -metisCoeffs -{ -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/fvSchemes b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/fvSchemes deleted file mode 100755 index 72f613d59..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/fvSchemes +++ /dev/null @@ -1,77 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSchemes; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; -} - -divSchemes -{ - default none; - div(phia,Ua) Gauss limitedLinearV 1; - div(phib,Ub) Gauss limitedLinearV 1; - div(phib,k) Gauss limitedLinear 1; - div(phib,epsilon) Gauss limitedLinear 1; - div(phi,alpha) Gauss limitedLinear01 1; - div((-nuEffa*grad(Ua).T())) Gauss linear; - div((-nuEffb*grad(Ub).T())) Gauss linear; - div(((beta*nuEff)*dev2(T(grad(Ub))))) Gauss linear; -} - -laplacianSchemes -{ - default none; - laplacian(nuEffa,Ua) Gauss linear corrected; - laplacian(nuEffb,Ub) Gauss linear corrected; - laplacian((rho*(1|A(U))),p) Gauss linear corrected; - laplacian(1,alpha) Gauss linear corrected; - laplacian(DT,tempDiffScalar) Gauss linear corrected; - laplacian(DT,tempDiffVector) Gauss linear corrected; - laplacian((beta*nuEff),Ub) Gauss linear corrected; -} - -interpolationSchemes -{ - default linear; -} - -snGradSchemes -{ - default corrected; -} - -fluxRequired -{ - default no; - p; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/fvSolution b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/fvSolution deleted file mode 100755 index 9ea78fdc3..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.2u/system/fvSolution +++ /dev/null @@ -1,123 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSolution; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -solvers -{ -p -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -Ua -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -Ub -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -alpha -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -tempDiffScalar -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -tempDiffVector -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -beta -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -k -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -epsilon -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -} - -PISO -{ - nCorrectors 2; - nNonOrthogonalCorrectors 0; - nAlphaCorr 2; - correctAlpha no; - pRefCell 0; - pRefValue 0; -} - -SIMPLE -{ - nNonOrthogonalCorrectors 0; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/Ua b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/Ua deleted file mode 100755 index 0c3d07327..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/Ua +++ /dev/null @@ -1,75 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ua; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - // type fixedValue; - // value uniform (0 0 0); - type slip; - - } - - top - { - type slip; - - //type fixedValue; - // value uniform (0 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/Ub b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/Ub deleted file mode 100755 index 279a85d65..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/Ub +++ /dev/null @@ -1,72 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ub; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - type fixedValue; - value uniform (0 0 0); - } - - top - { - type fixedValue; - // value uniform (0.01 0 0); - value uniform (-0.4 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/alpha b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/alpha deleted file mode 100755 index b80b4ed81..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/alpha +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object alpha; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/epsilon b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/epsilon deleted file mode 100755 index d35aad5f4..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/epsilon +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object epsilon; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.1; - -boundaryField -{ - top - { - type fixedValue; - value uniform 0.1; - } - - bottom - { - type inletOutlet; - inletValue uniform 0.1; - value uniform 0.1; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/k b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/k deleted file mode 100755 index de84af62c..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/k +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object k; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 1e-8; - -boundaryField -{ - top - { - type fixedValue; - value uniform 1e-8; - } - - bottom - { - type inletOutlet; - inletValue uniform 1e-8; - value uniform 1e-8; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/nut b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/nut deleted file mode 100755 index 2ec671ca4..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/nut +++ /dev/null @@ -1,78 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object nut; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type calculated; - value uniform 0.0; - } - - bottom - { - type calculated; - value uniform 0.0; - } - - right - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - - left - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/p b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/p deleted file mode 100755 index 8e8c9a143..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/0/p +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object p; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/Allclean.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/Allclean.sh deleted file mode 100755 index 7faa187a3..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/Allclean.sh +++ /dev/null @@ -1,16 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -cd constant/polyMesh -rm -rf boundary points faces neighbour owner -cd ../.. -rm -rf data/singleParticle.dat -rm -rf data/*.pdf -rm -rf processor* -rm -rf *[1-9]* -rm -rf probes -rm -rf sets -rm log.* -rm snapshot.* -rm log -rm -rf Results diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/AllrunParallel.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/AllrunParallel.sh deleted file mode 100755 index a570942d2..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/AllrunParallel.sh +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -./Allclean.sh - -blockMesh > log.blockMesh -decomposePar > log.decomposePar -mpirun -np 4 lammpsFoam -parallel diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/atom.restart.in b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/atom.restart.in deleted file mode 100755 index 9dbf176b9..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/atom.restart.in +++ /dev/null @@ -1,59 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 2 atom types - 2 nutrients - - 0.000000e-04 1.000000e-04 xlo xhi - 0.000000e-04 4.000000e-05 ylo yhi - 0.000000e-04 4.000000e-05 zlo zhi - - Atoms - - - Nutrients - - 1 sub l pp pp nd 1e-4 1e-4 - 2 o2 l pp pp nd 1e-4 1e-4 - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Type Name - - 1 het - 2 eps - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Ks - - het 3.5e-5 0 - eps 0 0 - - Growth Rate - - het 0.00028 - eps 0 - - Yield - - het 0.61 - eps 0.18 - - Maintenance - - het 0 - eps 0 - - Decay - - het 0 - eps 0 - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/cloudProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/cloudProperties deleted file mode 100755 index b8bd6910b..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/cloudProperties +++ /dev/null @@ -1,49 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.0 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object sprayProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -interpolationSchemes -{ - U cellPointFace; -} - -g (0 0 0); - -dragModel SyamlalOBrien; -subCycles 34; -diffusionBandWidth 10e-6; - -//diffusionBandWidth 20e-6; -//maxPossibleAlpha 0.8; - -particleDrag 1; -particlePressureGrad 0; -particleAddedMass 0; -lubricationForce 0; -particleLift 0; -particleHistoryForce 0; - -deleteParticle 1; - - -deleteParticleBox (0 0.000002 0 0.00004 0 0.00004 0 0 0); // x1x2y1y2z1z2; diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/environmentalProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/environmentalProperties deleted file mode 100755 index cc7446508..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/environmentalProperties +++ /dev/null @@ -1,28 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object environmentalProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -g g [0 1 -2 0 0 0 0] (0 0 0); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/polyMesh/blockMeshDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/polyMesh/blockMeshDict deleted file mode 100755 index e74953a2d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,115 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0001 0.00 0.0) - (0.0001 0.00004 0.0) - (0.00 0.00004 0.0) - (0.00 0.00 0.00004) - (0.0001 0.00 0.00004) - (0.0001 0.00004 0.00004) - (0.00 0.00004 0.00004) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (10 10 25) simpleGrading (1 1 1) - - // hex (0 1 2 3 4 5 6 7) (12 5 12) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/polyMesh/blockMeshDict2 b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/polyMesh/blockMeshDict2 deleted file mode 100755 index 62e02e46d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/polyMesh/blockMeshDict2 +++ /dev/null @@ -1,113 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0001 0.00 0.0) - (0.0001 0.00004 0.0) - (0.00 0.00004 0.0) - (0.00 0.00 0.0001) - (0.0001 0.00 0.0001) - (0.0001 0.00004 0.0001) - (0.00 0.00004 0.0001) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (25 10 25) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/transportProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/transportProperties deleted file mode 100755 index ee899cb57..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/transportProperties +++ /dev/null @@ -1,52 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object transportProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -rhoa rhoa [1 -3 0 0 0 0 0] 1000; // density of the particle - -rhob rhob [1 -3 0 0 0 0 0] 1000; // density of the carrier - -nua nua [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the particle (defined but not used) - -nub nub [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the carrier - -da da [0 1 0 0 0 0 0] 0.8e-6; // diameter of the particle - -// db db [0 1 0 0 0 0 0] 0.1; // not using - -Cvm Cvm [0 0 0 0 0 0 0] 0.0; // some coefficient for UEqn (taken as zero) - -Cl Cl [0 0 0 0 0 0 0] 0; // lift coefficient (taken as zero) - -Ct Ct [0 0 0 0 0 0 0] 1; // some coefficient used in the turbulence (defined but not used) - -continousPhaseName water; - -rho.water 1; - -transportModel Newtonian; - -nu 1e-6; - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/turbulenceProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/turbulenceProperties deleted file mode 100755 index 3637150f2..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/constant/turbulenceProperties +++ /dev/null @@ -1,62 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object turbulenceProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -turbulenceModel laminar; - -turbulence off; - -laminarCoeffs -{ -} - -kEpsilonCoeffs -{ - Cmu Cmu [0 0 0 0 0 0 0] 0.09; - C1 C1 [0 0 0 0 0 0 0] 1.44; - C2 C2 [0 0 0 0 0 0 0] 1.92; - alphak alphak [0 0 0 0 0 0 0] 1; - alphaEps alphaEps [0 0 0 0 0 0 0] 0.76923; -} - -wallFunctionCoeffs -{ - kappa kappa [0 0 0 0 0 0 0] 0.4187; - E E [0 0 0 0 0 0 0] 9; -} - -simulationType LES; -LES -{ - LESModel Smagorinsky; - turbulence on; - printCoeffs on; - delta cubeRootVol; - - cubeRootVolCoeffs - { - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/in.lammps b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/in.lammps deleted file mode 100755 index d10680507..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/in.lammps +++ /dev/null @@ -1,87 +0,0 @@ -# NUFEB simulation - -atom_style bio -atom_modify map array sort 1000 5.0e-7 -boundary ff pp pp -newton off - -processors 4 1 1 -comm_modify vel yes - -read_data_bio atom.restart.in -read_bio_restart restart.data - -group HET type 1 -group EPS type 2 - -region bed block 0 1e-4 0 4e-5 0 2e-6 units box -region del block 0 99.5e-6 0.5e-6 39.5e-6 0 INF units box - -group bed1 region bed -group del1 region del - -group moving subtract all bed1 -group deleting subtract all del1 - -velocity all set 0.0 0.0 0.0 -change_box all z final 0 4e-05 - -change_box all boundary p p p - -set type 1 diameter 0.8e-6 -set type 2 diameter 0.8e-6 -set type 1 mass 2.68083e-16 -set type 2 mass 2.68083e-16 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1 NULL 1.e6 NULL 0.0 1 -pair_coeff * * - -timestep 1e-8 - -fix 1 moving nve/sphere - -delete_atoms group deleting - -variable kanc equal 5e+5 - -fix fco all cohesive 1e-16 1 1e-8 1e-6 1 - -variable pfx equal 0.0 -variable pfy equal 0.0 -variable pfz equal 0.0 - -fix fd all fdrag 1000 - -#Defining nufebFoam variables -variable bioSteps equal 0 -variable bioDt equal 1 -variable nloops equal 1 - -#variables used in fix kinetics -variable diffT equal 1e-4 -variable layer equal -1 - -##############Define IBm Computes############## - -compute myMass all biomass -compute myRough all roughness - -fix k1 all kinetics 100000 25 10 10 v_diffT v_layer niter 1 -fix cfd1 all sedifoam v_bioSteps v_bioDt v_nloops - -##############Simulation Output############## -#dump du3 all custom/vtk 1000 snapshot%_*.vtu id type diameter x y z - -dump d0 all bio 6800 biomass roughness - -thermo_style custom step cpu atoms -thermo 100 -thermo_modify lost error - - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/restart.data b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/restart.data deleted file mode 100755 index 36dd6a328..000000000 Binary files a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/restart.data and /dev/null differ diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/controlDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/controlDict deleted file mode 100755 index 54067ea01..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/controlDict +++ /dev/null @@ -1,55 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom startTime; - -startTime 0; - -stopAt endTime; - -endTime 0.05; - -deltaT 0.000001; - -writeControl runTime; - -writeInterval 0.00002; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/controlDiffDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/controlDiffDict deleted file mode 100755 index bcd38160b..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/controlDiffDict +++ /dev/null @@ -1,87 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom latestTime; - -startTime 0; - -stopAt endTime; - -endTime 30; - -deltaT 0.001; - -writeControl runTime; - -writeInterval 0.5; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -functions -{ - probes - { - type probes; - functionObjectLibs ("libsampling.so"); - outputControl timeStep; - outputInterval 1; - probeLocations - ( - (0.02 0.002 0.003) - (0.02 0.16 0.003) - (0.01 0.002 0.003) - (0.01 0.16 0.003) - (0.002 0.002 0.003) - (0.002 0.16 0.003) - (0.002 0.04 0.003) - (0.038 0.002 0.003) - (0.038 0.04 0.003) - (0.03 0.002 0.003) - (0.03 0.04 0.003) - ); - fields - ( - p - Ub - ); - } - -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/decomposeParDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/decomposeParDict deleted file mode 100755 index 643932dc0..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/decomposeParDict +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 4; - -method simple; - -simpleCoeffs -{ - n (4 1 1); - delta 0.001; -} - -hierarchicalCoeffs -{ - // n (1 1 1); - // delta 0.001; - // order xyz; -} - -metisCoeffs -{ -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/fvSchemes b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/fvSchemes deleted file mode 100755 index 72f613d59..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/fvSchemes +++ /dev/null @@ -1,77 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSchemes; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; -} - -divSchemes -{ - default none; - div(phia,Ua) Gauss limitedLinearV 1; - div(phib,Ub) Gauss limitedLinearV 1; - div(phib,k) Gauss limitedLinear 1; - div(phib,epsilon) Gauss limitedLinear 1; - div(phi,alpha) Gauss limitedLinear01 1; - div((-nuEffa*grad(Ua).T())) Gauss linear; - div((-nuEffb*grad(Ub).T())) Gauss linear; - div(((beta*nuEff)*dev2(T(grad(Ub))))) Gauss linear; -} - -laplacianSchemes -{ - default none; - laplacian(nuEffa,Ua) Gauss linear corrected; - laplacian(nuEffb,Ub) Gauss linear corrected; - laplacian((rho*(1|A(U))),p) Gauss linear corrected; - laplacian(1,alpha) Gauss linear corrected; - laplacian(DT,tempDiffScalar) Gauss linear corrected; - laplacian(DT,tempDiffVector) Gauss linear corrected; - laplacian((beta*nuEff),Ub) Gauss linear corrected; -} - -interpolationSchemes -{ - default linear; -} - -snGradSchemes -{ - default corrected; -} - -fluxRequired -{ - default no; - p; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/fvSolution b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/fvSolution deleted file mode 100755 index 9ea78fdc3..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.4u/system/fvSolution +++ /dev/null @@ -1,123 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSolution; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -solvers -{ -p -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -Ua -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -Ub -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -alpha -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -tempDiffScalar -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -tempDiffVector -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -beta -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -k -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -epsilon -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -} - -PISO -{ - nCorrectors 2; - nNonOrthogonalCorrectors 0; - nAlphaCorr 2; - correctAlpha no; - pRefCell 0; - pRefValue 0; -} - -SIMPLE -{ - nNonOrthogonalCorrectors 0; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/Ua b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/Ua deleted file mode 100755 index 0c3d07327..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/Ua +++ /dev/null @@ -1,75 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ua; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - // type fixedValue; - // value uniform (0 0 0); - type slip; - - } - - top - { - type slip; - - //type fixedValue; - // value uniform (0 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/Ub b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/Ub deleted file mode 100755 index 378f29712..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/Ub +++ /dev/null @@ -1,72 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ub; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - type fixedValue; - value uniform (0 0 0); - } - - top - { - type fixedValue; - // value uniform (0.01 0 0); - value uniform (-0.6 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/alpha b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/alpha deleted file mode 100755 index b80b4ed81..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/alpha +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object alpha; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/epsilon b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/epsilon deleted file mode 100755 index d35aad5f4..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/epsilon +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object epsilon; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.1; - -boundaryField -{ - top - { - type fixedValue; - value uniform 0.1; - } - - bottom - { - type inletOutlet; - inletValue uniform 0.1; - value uniform 0.1; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/k b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/k deleted file mode 100755 index de84af62c..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/k +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object k; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 1e-8; - -boundaryField -{ - top - { - type fixedValue; - value uniform 1e-8; - } - - bottom - { - type inletOutlet; - inletValue uniform 1e-8; - value uniform 1e-8; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/nut b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/nut deleted file mode 100755 index 2ec671ca4..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/nut +++ /dev/null @@ -1,78 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object nut; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type calculated; - value uniform 0.0; - } - - bottom - { - type calculated; - value uniform 0.0; - } - - right - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - - left - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/p b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/p deleted file mode 100755 index 8e8c9a143..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/0/p +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object p; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/Allclean.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/Allclean.sh deleted file mode 100755 index 7faa187a3..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/Allclean.sh +++ /dev/null @@ -1,16 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -cd constant/polyMesh -rm -rf boundary points faces neighbour owner -cd ../.. -rm -rf data/singleParticle.dat -rm -rf data/*.pdf -rm -rf processor* -rm -rf *[1-9]* -rm -rf probes -rm -rf sets -rm log.* -rm snapshot.* -rm log -rm -rf Results diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/AllrunParallel.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/AllrunParallel.sh deleted file mode 100755 index a570942d2..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/AllrunParallel.sh +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -./Allclean.sh - -blockMesh > log.blockMesh -decomposePar > log.decomposePar -mpirun -np 4 lammpsFoam -parallel diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/atom.restart.in b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/atom.restart.in deleted file mode 100755 index 9dbf176b9..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/atom.restart.in +++ /dev/null @@ -1,59 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 2 atom types - 2 nutrients - - 0.000000e-04 1.000000e-04 xlo xhi - 0.000000e-04 4.000000e-05 ylo yhi - 0.000000e-04 4.000000e-05 zlo zhi - - Atoms - - - Nutrients - - 1 sub l pp pp nd 1e-4 1e-4 - 2 o2 l pp pp nd 1e-4 1e-4 - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Type Name - - 1 het - 2 eps - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Ks - - het 3.5e-5 0 - eps 0 0 - - Growth Rate - - het 0.00028 - eps 0 - - Yield - - het 0.61 - eps 0.18 - - Maintenance - - het 0 - eps 0 - - Decay - - het 0 - eps 0 - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/cloudProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/cloudProperties deleted file mode 100755 index b8bd6910b..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/cloudProperties +++ /dev/null @@ -1,49 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.0 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object sprayProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -interpolationSchemes -{ - U cellPointFace; -} - -g (0 0 0); - -dragModel SyamlalOBrien; -subCycles 34; -diffusionBandWidth 10e-6; - -//diffusionBandWidth 20e-6; -//maxPossibleAlpha 0.8; - -particleDrag 1; -particlePressureGrad 0; -particleAddedMass 0; -lubricationForce 0; -particleLift 0; -particleHistoryForce 0; - -deleteParticle 1; - - -deleteParticleBox (0 0.000002 0 0.00004 0 0.00004 0 0 0); // x1x2y1y2z1z2; diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/environmentalProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/environmentalProperties deleted file mode 100755 index cc7446508..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/environmentalProperties +++ /dev/null @@ -1,28 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object environmentalProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -g g [0 1 -2 0 0 0 0] (0 0 0); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/polyMesh/blockMeshDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/polyMesh/blockMeshDict deleted file mode 100755 index e74953a2d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,115 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0001 0.00 0.0) - (0.0001 0.00004 0.0) - (0.00 0.00004 0.0) - (0.00 0.00 0.00004) - (0.0001 0.00 0.00004) - (0.0001 0.00004 0.00004) - (0.00 0.00004 0.00004) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (10 10 25) simpleGrading (1 1 1) - - // hex (0 1 2 3 4 5 6 7) (12 5 12) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/polyMesh/blockMeshDict2 b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/polyMesh/blockMeshDict2 deleted file mode 100755 index 62e02e46d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/polyMesh/blockMeshDict2 +++ /dev/null @@ -1,113 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0001 0.00 0.0) - (0.0001 0.00004 0.0) - (0.00 0.00004 0.0) - (0.00 0.00 0.0001) - (0.0001 0.00 0.0001) - (0.0001 0.00004 0.0001) - (0.00 0.00004 0.0001) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (25 10 25) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/transportProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/transportProperties deleted file mode 100755 index ee899cb57..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/transportProperties +++ /dev/null @@ -1,52 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object transportProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -rhoa rhoa [1 -3 0 0 0 0 0] 1000; // density of the particle - -rhob rhob [1 -3 0 0 0 0 0] 1000; // density of the carrier - -nua nua [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the particle (defined but not used) - -nub nub [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the carrier - -da da [0 1 0 0 0 0 0] 0.8e-6; // diameter of the particle - -// db db [0 1 0 0 0 0 0] 0.1; // not using - -Cvm Cvm [0 0 0 0 0 0 0] 0.0; // some coefficient for UEqn (taken as zero) - -Cl Cl [0 0 0 0 0 0 0] 0; // lift coefficient (taken as zero) - -Ct Ct [0 0 0 0 0 0 0] 1; // some coefficient used in the turbulence (defined but not used) - -continousPhaseName water; - -rho.water 1; - -transportModel Newtonian; - -nu 1e-6; - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/turbulenceProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/turbulenceProperties deleted file mode 100755 index 3637150f2..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/constant/turbulenceProperties +++ /dev/null @@ -1,62 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object turbulenceProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -turbulenceModel laminar; - -turbulence off; - -laminarCoeffs -{ -} - -kEpsilonCoeffs -{ - Cmu Cmu [0 0 0 0 0 0 0] 0.09; - C1 C1 [0 0 0 0 0 0 0] 1.44; - C2 C2 [0 0 0 0 0 0 0] 1.92; - alphak alphak [0 0 0 0 0 0 0] 1; - alphaEps alphaEps [0 0 0 0 0 0 0] 0.76923; -} - -wallFunctionCoeffs -{ - kappa kappa [0 0 0 0 0 0 0] 0.4187; - E E [0 0 0 0 0 0 0] 9; -} - -simulationType LES; -LES -{ - LESModel Smagorinsky; - turbulence on; - printCoeffs on; - delta cubeRootVol; - - cubeRootVolCoeffs - { - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/in.lammps b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/in.lammps deleted file mode 100755 index 38e780132..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/in.lammps +++ /dev/null @@ -1,87 +0,0 @@ -# NUFEB simulation - -atom_style bio -atom_modify map array sort 1000 5.0e-7 -boundary ff pp pp -newton off - -processors 4 1 1 -comm_modify vel yes - -read_data_bio atom.restart.in -read_bio_restart restart.data - -group HET type 1 -group EPS type 2 - -region bed block 0 1e-4 0 4e-5 0 2e-6 units box -region del block 0 99.5e-6 0.5e-6 39.5e-6 0 INF units box - -group bed1 region bed -group del1 region del - -group moving subtract all bed1 -group deleting subtract all del1 - -velocity all set 0.0 0.0 0.0 - -change_box all boundary p p p -change_box all z final 0 4e-05 - -set type 1 diameter 0.8e-6 -set type 2 diameter 0.8e-6 -set type 1 mass 2.68083e-16 -set type 2 mass 2.68083e-16 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1 NULL 1.e6 NULL 0.0 1 -pair_coeff * * - -timestep 1e-8 - -fix 1 moving nve/sphere - -delete_atoms group deleting - -variable kanc equal 5e+5 - -fix fco all cohesive 1e-16 1 1e-8 1e-6 1 - -variable pfx equal 0.0 -variable pfy equal 0.0 -variable pfz equal 0.0 - -fix fd all fdrag 1000 - -#Defining nufebFoam variables -variable bioSteps equal 0 -variable bioDt equal 1 -variable nloops equal 1 - -#variables used in fix kinetics -variable diffT equal 1e-4 -variable layer equal -1 - -##############Define IBm Computes############## - -compute myMass all biomass -compute myRough all roughness - -fix k1 all kinetics 100000 25 10 10 v_diffT v_layer niter 1 -fix cfd1 all sedifoam v_bioSteps v_bioDt v_nloops - -##############Simulation Output############## -#dump du3 all custom/vtk 1000 snapshot%_*.vtu id type diameter x y z - -dump d0 all bio 6800 biomass roughness - -thermo_style custom step cpu atoms -thermo 100 -thermo_modify lost error - - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/restart.data b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/restart.data deleted file mode 100755 index 36dd6a328..000000000 Binary files a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/restart.data and /dev/null differ diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/controlDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/controlDict deleted file mode 100755 index 9f5337ffd..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/controlDict +++ /dev/null @@ -1,55 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom startTime; - -startTime 0; - -stopAt endTime; - -endTime 0.0003; - -deltaT 0.000001; - -writeControl runTime; - -writeInterval 0.00001; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/controlDiffDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/controlDiffDict deleted file mode 100755 index bcd38160b..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/controlDiffDict +++ /dev/null @@ -1,87 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom latestTime; - -startTime 0; - -stopAt endTime; - -endTime 30; - -deltaT 0.001; - -writeControl runTime; - -writeInterval 0.5; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -functions -{ - probes - { - type probes; - functionObjectLibs ("libsampling.so"); - outputControl timeStep; - outputInterval 1; - probeLocations - ( - (0.02 0.002 0.003) - (0.02 0.16 0.003) - (0.01 0.002 0.003) - (0.01 0.16 0.003) - (0.002 0.002 0.003) - (0.002 0.16 0.003) - (0.002 0.04 0.003) - (0.038 0.002 0.003) - (0.038 0.04 0.003) - (0.03 0.002 0.003) - (0.03 0.04 0.003) - ); - fields - ( - p - Ub - ); - } - -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/decomposeParDict b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/decomposeParDict deleted file mode 100755 index 91832ee17..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/decomposeParDict +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 4; - -method simple; - -simpleCoeffs -{ - n (4 1 1); - delta 0.001; -} - -hierarchicalCoeffs -{ - //n (1 1 1); - //delta 0.001; - //order xyz; -} - -metisCoeffs -{ -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/fvSchemes b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/fvSchemes deleted file mode 100755 index 72f613d59..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/fvSchemes +++ /dev/null @@ -1,77 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSchemes; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; -} - -divSchemes -{ - default none; - div(phia,Ua) Gauss limitedLinearV 1; - div(phib,Ub) Gauss limitedLinearV 1; - div(phib,k) Gauss limitedLinear 1; - div(phib,epsilon) Gauss limitedLinear 1; - div(phi,alpha) Gauss limitedLinear01 1; - div((-nuEffa*grad(Ua).T())) Gauss linear; - div((-nuEffb*grad(Ub).T())) Gauss linear; - div(((beta*nuEff)*dev2(T(grad(Ub))))) Gauss linear; -} - -laplacianSchemes -{ - default none; - laplacian(nuEffa,Ua) Gauss linear corrected; - laplacian(nuEffb,Ub) Gauss linear corrected; - laplacian((rho*(1|A(U))),p) Gauss linear corrected; - laplacian(1,alpha) Gauss linear corrected; - laplacian(DT,tempDiffScalar) Gauss linear corrected; - laplacian(DT,tempDiffVector) Gauss linear corrected; - laplacian((beta*nuEff),Ub) Gauss linear corrected; -} - -interpolationSchemes -{ - default linear; -} - -snGradSchemes -{ - default corrected; -} - -fluxRequired -{ - default no; - p; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/fvSolution b/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/fvSolution deleted file mode 100755 index 9ea78fdc3..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-fixwall-0.6u/system/fvSolution +++ /dev/null @@ -1,123 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSolution; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -solvers -{ -p -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -Ua -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -Ub -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -alpha -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -tempDiffScalar -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -tempDiffVector -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -beta -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -k -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -epsilon -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -} - -PISO -{ - nCorrectors 2; - nNonOrthogonalCorrectors 0; - nAlphaCorr 2; - correctAlpha no; - pRefCell 0; - pRefValue 0; -} - -SIMPLE -{ - nNonOrthogonalCorrectors 0; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/Allclean.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-growth/Allclean.sh deleted file mode 100755 index 7345fa47b..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/Allclean.sh +++ /dev/null @@ -1,7 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm atom_* -rm slurm-* -rm -rf Results -rm output.lammmps diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/atom.in b/examples/PAPER-NUFEB-TOOL/c1-deform-growth/atom.in deleted file mode 100644 index 4486766f9..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/atom.in +++ /dev/null @@ -1,101 +0,0 @@ - Granular Flow Simulation - - 41 atoms - 2 atom types - 2 nutrients - - 0.000000e-04 1e-04 xlo xhi - 0.000000e-04 0.4e-04 ylo yhi - 0.000000e-04 1e-04 zlo zhi - - Atoms - - 1 1 1.0e-6 150 0.5e-5 0.5e-5 1e-6 1.0e-6 - 2 1 1.0e-6 150 1.5e-5 0.5e-5 1e-6 1.0e-6 - 3 1 1.0e-6 150 2.5e-5 0.5e-5 1e-6 1.0e-6 - 4 1 1.0e-6 150 3.5e-5 0.5e-5 1e-6 1.0e-6 - 5 1 1.0e-6 150 4.5e-5 0.5e-5 1e-6 1.0e-6 - 6 1 1.0e-6 150 5.5e-5 0.5e-5 1e-6 1.0e-6 - 7 1 1.0e-6 150 6.5e-5 0.5e-5 1e-6 1.0e-6 - 8 1 1.0e-6 150 7.5e-5 0.5e-5 1e-6 1.0e-6 - 9 1 1.0e-6 150 8.5e-5 0.5e-5 1e-6 1.0e-6 - 10 1 1.0e-6 150 9.5e-5 0.5e-5 1e-6 1.0e-6 - 11 1 1.0e-6 150 0.5e-5 1.5e-5 1e-6 1.0e-6 - 12 1 1.0e-6 150 1.5e-5 1.5e-5 1e-6 1.0e-6 - 13 1 1.0e-6 150 2.5e-5 1.5e-5 1e-6 1.0e-6 - 14 1 1.0e-6 150 3.5e-5 1.5e-5 1e-6 1.0e-6 - 15 1 1.0e-6 150 4.5e-5 1.5e-5 1e-6 1.0e-6 - 16 1 1.0e-6 150 5.5e-5 1.5e-5 1e-6 1.0e-6 - 17 1 1.0e-6 150 6.5e-5 1.5e-5 1e-6 1.0e-6 - 18 1 1.0e-6 150 7.5e-5 1.5e-5 1e-6 1.0e-6 - 19 1 1.0e-6 150 8.5e-5 1.5e-5 1e-6 1.0e-6 - 20 1 1.0e-6 150 9.5e-5 1.5e-5 1e-6 1.0e-6 - 21 1 1.0e-6 150 0.5e-5 2.5e-5 1e-6 1.0e-6 - 22 1 1.0e-6 150 1.5e-5 2.5e-5 1e-6 1.0e-6 - 23 1 1.0e-6 150 2.5e-5 2.5e-5 1e-6 1.0e-6 - 24 1 1.0e-6 150 3.5e-5 2.5e-5 1e-6 1.0e-6 - 25 1 1.0e-6 150 4.5e-5 2.5e-5 1e-6 1.0e-6 - 26 1 1.0e-6 150 5.5e-5 2.5e-5 1e-6 1.0e-6 - 27 1 1.0e-6 150 6.5e-5 2.5e-5 1e-6 1.0e-6 - 28 1 1.0e-6 150 7.5e-5 2.5e-5 1e-6 1.0e-6 - 29 1 1.0e-6 150 8.5e-5 2.5e-5 1e-6 1.0e-6 - 30 1 1.0e-6 150 9.5e-5 2.5e-5 1e-6 1.0e-6 - 31 1 1.0e-6 150 0.5e-5 3.5e-5 1e-6 1.0e-6 - 32 1 1.0e-6 150 1.5e-5 3.5e-5 1e-6 1.0e-6 - 33 1 1.0e-6 150 2.5e-5 3.5e-5 1e-6 1.0e-6 - 34 1 1.0e-6 150 3.5e-5 3.5e-5 1e-6 1.0e-6 - 35 1 1.0e-6 150 4.5e-5 3.5e-5 1e-6 1.0e-6 - 36 1 1.0e-6 150 5.5e-5 3.5e-5 1e-6 1.0e-6 - 37 1 1.0e-6 150 6.5e-5 3.5e-5 1e-6 1.0e-6 - 38 1 1.0e-6 150 7.5e-5 3.5e-5 1e-6 1.0e-6 - 39 1 1.0e-6 150 8.5e-5 3.5e-5 1e-6 1.0e-6 - 40 1 1.0e-6 150 9.5e-5 3.5e-5 1e-6 1.0e-6 - 41 2 1.0e-8 150 0.6e-5 0.5e-5 1e-6 1.0e-8 - - Nutrients - - 1 sub l pp pp nd 1e-4 1e-4 - 2 o2 l pp pp nd 1e-4 1e-4 - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Type Name - - 1 het - 2 eps - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Ks - - het 3.5e-5 0 - eps 0 0 - - Growth Rate - - het 0.00028 - eps 0 - - Yield - - het 0.61 - eps 0.18 - - Maintenance - - het 0 - eps 0 - - Decay - - het 0 - eps 0 - - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/PvrRotate100cubic.m b/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/PvrRotate100cubic.m deleted file mode 100644 index 40669e018..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/PvrRotate100cubic.m +++ /dev/null @@ -1,56 +0,0 @@ -function [ POV_RAY ] = PvrRotate100cubic(image, rotate) - -%================================== - - - -% WRITE import.pov FILE FOR POVRAY -fid=fopen('import.pov','w'); - -fprintf(fid,'#include "shapes.inc"\n'); - -fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n'); -fprintf(fid,'camera {\n'); -fprintf(fid,['location <0, 60e-2, 0>\n']); -fprintf(fid,'sky z\n'); -fprintf(fid,'right 0.24*x*image_width/image_height\n'); -fprintf(fid,'up 0.24*y\n'); -fprintf(fid,'look_at <0, 0, 0>\n'); -fprintf(fid,'look_at 0\n') -fprintf(fid,'rotate <0, 0, 20>\n', rotate); -fprintf(fid,'}\n'); -fprintf(fid,'// Create simualtion domain\n'); -fprintf(fid,'#declare b_x=0.05;\n'); -fprintf(fid,'#declare b_y=0.02;\n'); -fprintf(fid,'#declare b_z=0.05;\n'); -fprintf(fid,'object{ \n'); -fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']); -fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']); -fprintf(fid,'}\n'); -fprintf(fid,'// White background\n'); -fprintf(fid,'background{rgb 1}\n'); -fprintf(fid,'// Two lights with slightly different colors\n'); -fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}\n'); -fprintf(fid,'light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}\n'); -fprintf(fid,'// Radius of the Voronoi cell network\n'); -fprintf(fid,'#declare r=0.05;\n'); -fprintf(fid,'// Radius of the particles\n'); -fprintf(fid,'#declare s=0.6;\n'); -fprintf(fid,'// Particles\n'); -fprintf(fid,'union{\n'); -fprintf(fid,'#include "data_p.pov"\n'); -fprintf(fid,'}\n'); - - - -fclose(fid); - -POV_RAY=1 - - -end - - - - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/import.pov b/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/import.pov deleted file mode 100644 index aad4db556..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/import.pov +++ /dev/null @@ -1,32 +0,0 @@ -#include "shapes.inc" -// Right-handed coordinate system in which the z-axis points upwards -camera { -location <0, 60e-2, 0> -sky z -right 0.24*x*image_width/image_height -up 0.24*y -look_at <0, 0, 0> -look_at 0 -rotate <0, 0, 20> -} -// Create simualtion domain -#declare b_x=0.05; -#declare b_y=0.02; -#declare b_z=0.05; -object{ -Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) - texture{ pigment{ color rgb<1,1,1>}} -} -// White background -background{rgb 1} -// Two lights with slightly different colors -light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>} -light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>} -// Radius of the Voronoi cell network -#declare r=0.05; -// Radius of the particles -#declare s=0.6; -// Particles -union{ -#include "data_p.pov" -} diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/run.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/run.sh deleted file mode 100755 index b5d422fc7..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/run.sh +++ /dev/null @@ -1,4 +0,0 @@ -#!/bin/bash -# Matlab povray script - -matlab -nodisplay -nosplash -nodesktop -r "run('visual100cubic.m');exit;" diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/visual100cubic.m b/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/visual100cubic.m deleted file mode 100644 index 7be3e8a6a..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/povray/visual100cubic.m +++ /dev/null @@ -1,103 +0,0 @@ -clear; - dump = fopen('output.lammmps','r'); - -format long - -i=1; -while feof(dump) == 0 - id = fgetl(dump); - switch id - case 'ITEM: TIMESTEP' - timestep(i) = str2num(fgetl(dump)); - case 'ITEM: NUMBER OF ATOMS' - Natoms(i) = str2num(fgetl(dump)); - case 'ITEM: BOX BOUNDS pp pp pp' - x_bound(i,:) = str2num(fgetl(dump)); - y_bound(i,:) = str2num(fgetl(dump)); - z_bound(i,:) = str2num(fgetl(dump)); - %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] ' - case 'ITEM: ATOMS id type diameter x y z ' - - - C = textscan(dump,'%f %f %f %f %f %f',Natoms(i)); - - -Tp = C{2}; -ID = C{1}; -D = C{3}*1e+3; -X = C{4}*1e+3-0.05; -Y = C{5}*1e+3-0.02; -Z = C{6}*1e+3-0.05; - - -fid=fopen('data_p.pov','w'); - for l=1:length(C{2}) - - - if (Tp(l)==1) - RED = 0.2; - GREEN = 0.2; - BLUE = 0.8; - end - - if (Tp(l)==2) - RED = 0.5; - GREEN = 0.5; - BLUE = 0.5; - end - - if (Tp(l)==3) - RED = 0.8; - GREEN = 0.2; - BLUE = 0.2; - end - - if (Tp(l)==4) - RED = 0.6; - GREEN = 0.6; - BLUE = 0.6; - end - - if (Tp(l)==5) - RED = 0.2; - GREEN = 0.8; - BLUE = 0.8; - end - - - -fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']); - end - fclose(fid); - j=i+1000000; -POV_RAY=PvrRotate100cubic(image, i) - -generate=['povray +H3000 +W3000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov']; -system(generate); - - i=i+1; -end - -end - - -Inputdir = './0_images/' ; % Input dit of images -fname=dir([Inputdir '*.jpg']); % Specify file extension - -wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name -set(wobj,'FrameRate',5); % Specify frame rate -open(wobj) - - -for i=1:1:length(fname) - image = imread([Inputdir fname(i).name]); - A = image; - B=A(:,:,1:3); - writeVideo(wobj, B); - disp(i) -end -close(wobj); - - - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/vtk/growth.pvsm b/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/vtk/growth.pvsm deleted file mode 100644 index 2bcb0ff8d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/visual/vtk/growth.pvsm +++ /dev/null @@ -1,33277 +0,0 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 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- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/Ua b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/Ua deleted file mode 100755 index 0c3d07327..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/Ua +++ /dev/null @@ -1,75 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ua; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - // type fixedValue; - // value uniform (0 0 0); - type slip; - - } - - top - { - type slip; - - //type fixedValue; - // value uniform (0 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/Ub b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/Ub deleted file mode 100755 index 91ae004a5..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/Ub +++ /dev/null @@ -1,72 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ub; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - type fixedValue; - value uniform (0 0 0); - } - - top - { - type fixedValue; - // value uniform (0.01 0 0); - value uniform (-0.2 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/alpha b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/alpha deleted file mode 100755 index b80b4ed81..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/alpha +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object alpha; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/epsilon b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/epsilon deleted file mode 100755 index d35aad5f4..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/epsilon +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object epsilon; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.1; - -boundaryField -{ - top - { - type fixedValue; - value uniform 0.1; - } - - bottom - { - type inletOutlet; - inletValue uniform 0.1; - value uniform 0.1; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/k b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/k deleted file mode 100755 index de84af62c..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/k +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object k; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 1e-8; - -boundaryField -{ - top - { - type fixedValue; - value uniform 1e-8; - } - - bottom - { - type inletOutlet; - inletValue uniform 1e-8; - value uniform 1e-8; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/nut b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/nut deleted file mode 100755 index 2ec671ca4..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/nut +++ /dev/null @@ -1,78 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object nut; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type calculated; - value uniform 0.0; - } - - bottom - { - type calculated; - value uniform 0.0; - } - - right - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - - left - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/p b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/p deleted file mode 100755 index 8e8c9a143..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/0/p +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object p; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/Allclean.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/Allclean.sh deleted file mode 100755 index 7faa187a3..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/Allclean.sh +++ /dev/null @@ -1,16 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -cd constant/polyMesh -rm -rf boundary points faces neighbour owner -cd ../.. -rm -rf data/singleParticle.dat -rm -rf data/*.pdf -rm -rf processor* -rm -rf *[1-9]* -rm -rf probes -rm -rf sets -rm log.* -rm snapshot.* -rm log -rm -rf Results diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/AllrunParallel.sh b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/AllrunParallel.sh deleted file mode 100755 index a570942d2..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/AllrunParallel.sh +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -./Allclean.sh - -blockMesh > log.blockMesh -decomposePar > log.decomposePar -mpirun -np 4 lammpsFoam -parallel diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/atom.restart.in b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/atom.restart.in deleted file mode 100755 index 9dbf176b9..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/atom.restart.in +++ /dev/null @@ -1,59 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 2 atom types - 2 nutrients - - 0.000000e-04 1.000000e-04 xlo xhi - 0.000000e-04 4.000000e-05 ylo yhi - 0.000000e-04 4.000000e-05 zlo zhi - - Atoms - - - Nutrients - - 1 sub l pp pp nd 1e-4 1e-4 - 2 o2 l pp pp nd 1e-4 1e-4 - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Type Name - - 1 het - 2 eps - - Diffusion Coeffs - - sub 1.6e-9 - o2 2.30e-9 - - Ks - - het 3.5e-5 0 - eps 0 0 - - Growth Rate - - het 0.00028 - eps 0 - - Yield - - het 0.61 - eps 0.18 - - Maintenance - - het 0 - eps 0 - - Decay - - het 0 - eps 0 - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/cloudProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/cloudProperties deleted file mode 100755 index 3e16d888a..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/cloudProperties +++ /dev/null @@ -1,45 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.0 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object sprayProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -interpolationSchemes -{ - U cellPointFace; -} - -g (0 0 0); - -dragModel SyamlalOBrien; -subCycles 34; -diffusionBandWidth 10e-6; - -//diffusionBandWidth 20e-6; -//maxPossibleAlpha 0.8; - -particleDrag 1; -particlePressureGrad 0; -particleAddedMass 0; -lubricationForce 0; -particleLift 0; -particleHistoryForce 0; - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/environmentalProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/environmentalProperties deleted file mode 100755 index cc7446508..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/environmentalProperties +++ /dev/null @@ -1,28 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object environmentalProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -g g [0 1 -2 0 0 0 0] (0 0 0); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/polyMesh/blockMeshDict b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/polyMesh/blockMeshDict deleted file mode 100755 index e74953a2d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,115 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0001 0.00 0.0) - (0.0001 0.00004 0.0) - (0.00 0.00004 0.0) - (0.00 0.00 0.00004) - (0.0001 0.00 0.00004) - (0.0001 0.00004 0.00004) - (0.00 0.00004 0.00004) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (10 10 25) simpleGrading (1 1 1) - - // hex (0 1 2 3 4 5 6 7) (12 5 12) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/polyMesh/blockMeshDict2 b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/polyMesh/blockMeshDict2 deleted file mode 100755 index 62e02e46d..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/polyMesh/blockMeshDict2 +++ /dev/null @@ -1,113 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0001 0.00 0.0) - (0.0001 0.00004 0.0) - (0.00 0.00004 0.0) - (0.00 0.00 0.0001) - (0.0001 0.00 0.0001) - (0.0001 0.00004 0.0001) - (0.00 0.00004 0.0001) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (25 10 25) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/transportProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/transportProperties deleted file mode 100755 index ee899cb57..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/transportProperties +++ /dev/null @@ -1,52 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object transportProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -rhoa rhoa [1 -3 0 0 0 0 0] 1000; // density of the particle - -rhob rhob [1 -3 0 0 0 0 0] 1000; // density of the carrier - -nua nua [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the particle (defined but not used) - -nub nub [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the carrier - -da da [0 1 0 0 0 0 0] 0.8e-6; // diameter of the particle - -// db db [0 1 0 0 0 0 0] 0.1; // not using - -Cvm Cvm [0 0 0 0 0 0 0] 0.0; // some coefficient for UEqn (taken as zero) - -Cl Cl [0 0 0 0 0 0 0] 0; // lift coefficient (taken as zero) - -Ct Ct [0 0 0 0 0 0 0] 1; // some coefficient used in the turbulence (defined but not used) - -continousPhaseName water; - -rho.water 1; - -transportModel Newtonian; - -nu 1e-6; - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/turbulenceProperties b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/turbulenceProperties deleted file mode 100755 index 3637150f2..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/constant/turbulenceProperties +++ /dev/null @@ -1,62 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object turbulenceProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -turbulenceModel laminar; - -turbulence off; - -laminarCoeffs -{ -} - -kEpsilonCoeffs -{ - Cmu Cmu [0 0 0 0 0 0 0] 0.09; - C1 C1 [0 0 0 0 0 0 0] 1.44; - C2 C2 [0 0 0 0 0 0 0] 1.92; - alphak alphak [0 0 0 0 0 0 0] 1; - alphaEps alphaEps [0 0 0 0 0 0 0] 0.76923; -} - -wallFunctionCoeffs -{ - kappa kappa [0 0 0 0 0 0 0] 0.4187; - E E [0 0 0 0 0 0 0] 9; -} - -simulationType LES; -LES -{ - LESModel Smagorinsky; - turbulence on; - printCoeffs on; - delta cubeRootVol; - - cubeRootVolCoeffs - { - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/in.lammps b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/in.lammps deleted file mode 100755 index 38e780132..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/in.lammps +++ /dev/null @@ -1,87 +0,0 @@ -# NUFEB simulation - -atom_style bio -atom_modify map array sort 1000 5.0e-7 -boundary ff pp pp -newton off - -processors 4 1 1 -comm_modify vel yes - -read_data_bio atom.restart.in -read_bio_restart restart.data - -group HET type 1 -group EPS type 2 - -region bed block 0 1e-4 0 4e-5 0 2e-6 units box -region del block 0 99.5e-6 0.5e-6 39.5e-6 0 INF units box - -group bed1 region bed -group del1 region del - -group moving subtract all bed1 -group deleting subtract all del1 - -velocity all set 0.0 0.0 0.0 - -change_box all boundary p p p -change_box all z final 0 4e-05 - -set type 1 diameter 0.8e-6 -set type 2 diameter 0.8e-6 -set type 1 mass 2.68083e-16 -set type 2 mass 2.68083e-16 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1 NULL 1.e6 NULL 0.0 1 -pair_coeff * * - -timestep 1e-8 - -fix 1 moving nve/sphere - -delete_atoms group deleting - -variable kanc equal 5e+5 - -fix fco all cohesive 1e-16 1 1e-8 1e-6 1 - -variable pfx equal 0.0 -variable pfy equal 0.0 -variable pfz equal 0.0 - -fix fd all fdrag 1000 - -#Defining nufebFoam variables -variable bioSteps equal 0 -variable bioDt equal 1 -variable nloops equal 1 - -#variables used in fix kinetics -variable diffT equal 1e-4 -variable layer equal -1 - -##############Define IBm Computes############## - -compute myMass all biomass -compute myRough all roughness - -fix k1 all kinetics 100000 25 10 10 v_diffT v_layer niter 1 -fix cfd1 all sedifoam v_bioSteps v_bioDt v_nloops - -##############Simulation Output############## -#dump du3 all custom/vtk 1000 snapshot%_*.vtu id type diameter x y z - -dump d0 all bio 6800 biomass roughness - -thermo_style custom step cpu atoms -thermo 100 -thermo_modify lost error - - - diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/restart.data b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/restart.data deleted file mode 100755 index 36dd6a328..000000000 Binary files a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/restart.data and /dev/null differ diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/controlDict b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/controlDict deleted file mode 100755 index 54067ea01..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/controlDict +++ /dev/null @@ -1,55 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom startTime; - -startTime 0; - -stopAt endTime; - -endTime 0.05; - -deltaT 0.000001; - -writeControl runTime; - -writeInterval 0.00002; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/controlDiffDict b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/controlDiffDict deleted file mode 100755 index bcd38160b..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/controlDiffDict +++ /dev/null @@ -1,87 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom latestTime; - -startTime 0; - -stopAt endTime; - -endTime 30; - -deltaT 0.001; - -writeControl runTime; - -writeInterval 0.5; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -functions -{ - probes - { - type probes; - functionObjectLibs ("libsampling.so"); - outputControl timeStep; - outputInterval 1; - probeLocations - ( - (0.02 0.002 0.003) - (0.02 0.16 0.003) - (0.01 0.002 0.003) - (0.01 0.16 0.003) - (0.002 0.002 0.003) - (0.002 0.16 0.003) - (0.002 0.04 0.003) - (0.038 0.002 0.003) - (0.038 0.04 0.003) - (0.03 0.002 0.003) - (0.03 0.04 0.003) - ); - fields - ( - p - Ub - ); - } - -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/decomposeParDict b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/decomposeParDict deleted file mode 100755 index 643932dc0..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/decomposeParDict +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 4; - -method simple; - -simpleCoeffs -{ - n (4 1 1); - delta 0.001; -} - -hierarchicalCoeffs -{ - // n (1 1 1); - // delta 0.001; - // order xyz; -} - -metisCoeffs -{ -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/fvSchemes b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/fvSchemes deleted file mode 100755 index 72f613d59..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/fvSchemes +++ /dev/null @@ -1,77 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSchemes; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; -} - -divSchemes -{ - default none; - div(phia,Ua) Gauss limitedLinearV 1; - div(phib,Ub) Gauss limitedLinearV 1; - div(phib,k) Gauss limitedLinear 1; - div(phib,epsilon) Gauss limitedLinear 1; - div(phi,alpha) Gauss limitedLinear01 1; - div((-nuEffa*grad(Ua).T())) Gauss linear; - div((-nuEffb*grad(Ub).T())) Gauss linear; - div(((beta*nuEff)*dev2(T(grad(Ub))))) Gauss linear; -} - -laplacianSchemes -{ - default none; - laplacian(nuEffa,Ua) Gauss linear corrected; - laplacian(nuEffb,Ub) Gauss linear corrected; - laplacian((rho*(1|A(U))),p) Gauss linear corrected; - laplacian(1,alpha) Gauss linear corrected; - laplacian(DT,tempDiffScalar) Gauss linear corrected; - laplacian(DT,tempDiffVector) Gauss linear corrected; - laplacian((beta*nuEff),Ub) Gauss linear corrected; -} - -interpolationSchemes -{ - default linear; -} - -snGradSchemes -{ - default corrected; -} - -fluxRequired -{ - default no; - p; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/fvSolution b/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/fvSolution deleted file mode 100755 index 9ea78fdc3..000000000 --- a/examples/PAPER-NUFEB-TOOL/c1-deform-periodicwall-0.2u/system/fvSolution +++ /dev/null @@ -1,123 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSolution; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -solvers -{ -p -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -Ua -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -Ub -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -alpha -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -tempDiffScalar -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -tempDiffVector -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -beta -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -k -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -epsilon -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -} - -PISO -{ - nCorrectors 2; - nNonOrthogonalCorrectors 0; - nAlphaCorr 2; - correctAlpha no; - pRefCell 0; - pRefValue 0; -} - -SIMPLE -{ - nNonOrthogonalCorrectors 0; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/Allclean.sh b/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/Allclean.sh deleted file mode 100755 index c50941a99..000000000 --- a/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/Allclean.sh +++ /dev/null @@ -1,5 +0,0 @@ -rm snapshot_* -rm grid_* -rm dump_* -rm slurm-* -rm -rf Results diff --git a/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/Inputscript.lammps b/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/Inputscript.lammps deleted file mode 100755 index b0e13b34f..000000000 --- a/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/Inputscript.lammps +++ /dev/null @@ -1,130 +0,0 @@ -# NUFEB simulation - -units si -atom_style bio -atom_modify map array sort 1000 5.0e-7 -boundary pp pp ff -newton off -processors 10 10 1 - -comm_modify vel yes -read_data_bio atom.in - -##############Define initial particle distribution############## - -lattice sc 1e-6 origin 0 0 0 -region reg block 0 600 0 600 0 1 - -create_atoms 1 random 1000 3124 reg -create_atoms 2 random 1000 1321 reg -create_atoms 3 random 4000 52342 reg -create_atoms 4 random 1 13212 reg -create_atoms 5 random 1 41231 reg - -set type 1 density 32 -set type 1 diameter 1.3e-6 -set type 1 mass 3.68e-17 - -set type 2 density 32 -set type 2 diameter 1.3e-6 -set type 2 mass 3.68e-17 - -set type 3 density 32 -set type 3 diameter 1.3e-6 -set type 3 mass 3.68e-17 - -set type 4 density 32 -set type 4 diameter 1.3e-6 -set type 4 mass 3.68e-17 - -set type 5 density 32 -set type 5 diameter 1.3e-6 -set type 5 mass 3.68e-17 - -group HET type 1 -group AOB type 2 -group NOB type 3 -group EPS type 4 -group DEAD type 5 - -neighbor 5e-7 bin -neigh_modify delay 0 one 5000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1e-4 NULL 1e-4 NULL 0 1 -pair_coeff * * - -timestep 1e-3 - -fix 1 all nve/limit 1e-8 -fix fv all viscous 1e-8 - -fix zw all wall/gran hooke/history 1e-4 NULL 1e-4 NULL 0 1 zplane 0.0e-4 2e-04 - -variable kanc equal 5e+8 - -fix zwa all walladh v_kanc zplane 0.0 2e-04 - -variable ke equal 5e+8 -#fix j1 all epsadh 1 v_ke 1 - -##############Define IBm Variables############## - -#variables used in fix eps_extract -variable EPSdens equal 30 -variable EPSratio equal 1.10 - -#variables used in fix division -variable divDia equal 1.36e-6 - -#variables used in fix kinetics -variable diffT equal 1e-4 -variable tol equal 5e-7 -variable layer equal 2e-5 - -#variables used in fix death -variable deadDia equal 5e-7 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 150 150 50 v_diffT v_layer niter 20000 -fix kgm all kinetics/growth/monod epsdens 30 etahet 0.6 -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 -fix d1 all divide 1 v_EPSdens v_divDia 41341 demflag 0 -fix e1 HET eps_extract 1 v_EPSratio v_EPSdens 5234 demflag 0 -fix d2 all death 1 v_deadDia demflag 0 - -##############Define IBm Computes############## - -compute myNtypes all ntypes -compute myMass all biomass -compute myCon all avg_con - -##############Simulation Output############## - -thermo_style custom step cpu atoms c_myNtypes[*] -dump du0 all bio 18006 biomass ntypes bulk avg_con -dump du2 all grid 90030 grid_%_*.vti con -dump du3 all vtk 90030 snapshot_*.vtu id type diameter x y z -thermo 3001 -thermo_modify lost ignore - -##############Define Bio-loop and DEM-subloop############## - -run 14400 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d2 demflag 1" & -"fix_modify d1 demflag 1" & -"fix_modify e1 demflag 1" & -"timestep 1e-3" & -"run 3000 pre no post no" & -"timestep 1200" & -"fix_modify k1 demflag 0" & -"fix_modify d2 demflag 0" & -"fix_modify d1 demflag 0" & -"fix_modify e1 demflag 0" & - - - - diff --git a/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/atom.in b/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/atom.in deleted file mode 100755 index 3b4e1a95c..000000000 --- a/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/atom.in +++ /dev/null @@ -1,77 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 5 atom types - 5 nutrients - - 0.000000e-04 6e-04 xlo xhi - 0.000000e-04 6e-04 ylo yhi - 0.000000e-04 2e-04 zlo zhi - - Atoms - - Nutrients - - 1 sub l pp pp nd 3e-3 3e-3 - 2 o2 l pp pp nd 1e-2 1e-2 - 3 no2 l pp pp nd 1e-20 1e-20 - 4 no3 l pp pp nd 1e-20 1e-20 - 5 nh4 l pp pp nd 1e-2 1e-2 - - Diffusion Coeffs - - sub 1.1574e-9 - o2 2.3e-9 - no2 1.85e-9 - no3 1.85e-9 - nh4 1.97e-9 - - Type Name - - 1 het - 2 aob - 3 nob - 4 eps - 5 dead - - Ks - - het 4e-3 2e-4 0.0003 0.0003 0 - aob 0 5e-4 0 0 1e-3 - nob 0 6.8e-4 1.3e-3 0 0 - eps 0 0 0 0 0 - dead 0 0 0 0 0 - -Growth Rate - - het 0.000069 - aob 0.000023727 - nob 0.000016782 - eps 0 - dead 0 - - Yield - - het 0.61 - aob 0.15 - nob 0.041 - eps 0.18 - dead 0 - - Maintenance - - het 0.000003694 - aob 0.000001505 - nob 0.000000694 - eps 0 - dead 0 - - Decay - - het 0.000000917 - aob 0.00000127314 - nob 0.00000127314 - eps 0.00000196759 - dead 0 - - diff --git a/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/rocket-run b/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/rocket-run deleted file mode 100755 index 2808ab8fa..000000000 --- a/examples/PAPER-NUFEB-TOOL/c2-biofilm-100proc/rocket-run +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash -#SBATCH -A tcnufeb -#SBATCH --ntasks=100 -#SBATCH -c 1 -#SBATCH -N 1-3 -module load intel - -export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -export PATH=$PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/src -export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/mnt/nfs/home/nbl21/nufeb/code/lammps5Nov16/lib:/mnt/nfs/home/nbl21/local/lib - -srun lmp_rocket_intel -in Inputscript.lammps -#srun lmp_g++_openmpi -in Inputscript.lammps diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/Ub b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/Ub deleted file mode 100644 index eb28e5836..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/Ub +++ /dev/null @@ -1,71 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ub; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - type fixedValue; - value uniform (0 0 0); - } - - top - { - type fixedValue; - value uniform (0.01 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/alpha b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/alpha deleted file mode 100644 index b80b4ed81..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/alpha +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object alpha; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/epsilon b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/epsilon deleted file mode 100644 index d35aad5f4..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/epsilon +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object epsilon; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.1; - -boundaryField -{ - top - { - type fixedValue; - value uniform 0.1; - } - - bottom - { - type inletOutlet; - inletValue uniform 0.1; - value uniform 0.1; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/k b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/k deleted file mode 100644 index de84af62c..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/k +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object k; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 1e-8; - -boundaryField -{ - top - { - type fixedValue; - value uniform 1e-8; - } - - bottom - { - type inletOutlet; - inletValue uniform 1e-8; - value uniform 1e-8; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/nut b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/nut deleted file mode 100644 index 2ec671ca4..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/nut +++ /dev/null @@ -1,78 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object nut; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type calculated; - value uniform 0.0; - } - - bottom - { - type calculated; - value uniform 0.0; - } - - right - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - - left - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/p b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/p deleted file mode 100644 index 8e8c9a143..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/0/p +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object p; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/Allclean.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/Allclean.sh deleted file mode 100755 index fad662ab8..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/Allclean.sh +++ /dev/null @@ -1,14 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -cd constant/polyMesh -rm -rf boundary points faces neighbour owner -cd ../.. -rm -rf data/singleParticle.dat -rm -rf data/*.pdf -rm -rf processor* -rm -rf *[1-9]* -rm -rf probes -rm -rf sets -rm log.* -rm snapshot.* diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/Allrun.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/Allrun.sh deleted file mode 100755 index 6de27ec40..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/Allrun.sh +++ /dev/null @@ -1,11 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -./Allclean.sh - -f21x - -blockMesh -lammpsFoam - -./postprocessing.py diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/AllrunParallel.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/AllrunParallel.sh deleted file mode 100755 index 11d734a5c..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/AllrunParallel.sh +++ /dev/null @@ -1,3 +0,0 @@ -blockMesh > log.blockMesh -decomposePar > log.decomposePar -mpirun -np 2 lammpsFoam -parallel > log.parallel diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/atom.in b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/atom.in deleted file mode 100644 index f5bf6121d..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/atom.in +++ /dev/null @@ -1,55 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 1 atom types - 5 nutrients - - 0.000000e-04 1.6e-03 xlo xhi - 0.000000e-04 0.03e-3 ylo yhi - 0.000000e-04 0.38e-3 zlo zhi - - Atoms - - #1 1 1.0e-6 150 8.5e-5 1.5e-5 5e-6 1.0e-6 - - Type Name - - 1 het - - Nutrients - - 1 sub l dn nn nn 0.005 0.005 - 2 o2 l dn nn nn 1e-4 1e-4 - 3 no2 l dn nn nn 8e-4 8e-4 - 4 no3 l dn nn nn 8e-4 8e-4 - 5 nh4 l dn nn nn 9e-4 9e-4 - - Diffusion Coeffs - - sub 1.1574e-9 - o2 0 - no2 0 - no3 0 - nh4 0 - - Ks - - het 0.004 0 0 0 0 - - Growth Rate - - het 0.000068056 - - Yield - - het 0.63 - - Maintenance - - het 0 - - Decay - - het 0 - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/cloudProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/cloudProperties deleted file mode 100644 index fad889740..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/cloudProperties +++ /dev/null @@ -1,46 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.0 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object sprayProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -interpolationSchemes -{ - U cellPointFace; -} - -g (0 0 0); - -dragModel SyamlalOBrien; -subCycles 1; -diffusionBandWidth 2e-4; -//maxPossibleAlpha 0.8; - -particleDrag 1; -particlePressureGrad 1; -particleAddedMass 1; -lubricationForce 1; -particleLift 1; -particleHistoryForce 0; - - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/environmentalProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/environmentalProperties deleted file mode 100644 index cc7446508..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/environmentalProperties +++ /dev/null @@ -1,28 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object environmentalProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -g g [0 1 -2 0 0 0 0] (0 0 0); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/polyMesh/blockMeshDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/polyMesh/blockMeshDict deleted file mode 100644 index 100f8489d..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,113 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0016 0.00 0.0) - (0.0016 0.00003 0.0) - (0.00 0.00003 0.0) - (0.00 0.00 0.00038) - (0.0016 0.00 0.00038) - (0.0016 0.00003 0.00038) - (0.00 0.00003 0.00038) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (160 3 38) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/transportProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/transportProperties deleted file mode 100644 index dea3eb037..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/transportProperties +++ /dev/null @@ -1,52 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object transportProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -rhoa rhoa [1 -3 0 0 0 0 0] 1000; // density of the particle - -rhob rhob [1 -3 0 0 0 0 0] 1000; // density of the carrier - -nua nua [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the particle (defined but not used) - -nub nub [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the carrier - -da da [0 1 0 0 0 0 0] 1e-5; // diameter of the particle - -// db db [0 1 0 0 0 0 0] 0.1; // not using - -Cvm Cvm [0 0 0 0 0 0 0] 0.0; // some coefficient for UEqn (taken as zero) - -Cl Cl [0 0 0 0 0 0 0] 0; // lift coefficient (taken as zero) - -Ct Ct [0 0 0 0 0 0 0] 1; // some coefficient used in the turbulence (defined but not used) - -continousPhaseName water; - -rho.water 1; - -transportModel Newtonian; - -nu 1e-6; - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/turbulenceProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/turbulenceProperties deleted file mode 100644 index 3637150f2..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/constant/turbulenceProperties +++ /dev/null @@ -1,62 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object turbulenceProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -turbulenceModel laminar; - -turbulence off; - -laminarCoeffs -{ -} - -kEpsilonCoeffs -{ - Cmu Cmu [0 0 0 0 0 0 0] 0.09; - C1 C1 [0 0 0 0 0 0 0] 1.44; - C2 C2 [0 0 0 0 0 0 0] 1.92; - alphak alphak [0 0 0 0 0 0 0] 1; - alphaEps alphaEps [0 0 0 0 0 0 0] 0.76923; -} - -wallFunctionCoeffs -{ - kappa kappa [0 0 0 0 0 0 0] 0.4187; - E E [0 0 0 0 0 0 0] 9; -} - -simulationType LES; -LES -{ - LESModel Smagorinsky; - turbulence on; - printCoeffs on; - delta cubeRootVol; - - cubeRootVolCoeffs - { - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/in.lammps b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/in.lammps deleted file mode 100644 index 4cf928b18..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/in.lammps +++ /dev/null @@ -1,93 +0,0 @@ -# NUFEB simulation - -atom_style bio -atom_modify map array sort 1000 5e-7 -boundary pp pp pp -newton off -processors * * 1 - -units si - -comm_modify vel yes -read_data_bio atom.in - -group HET type 1 - -variable x equal 177 -variable y equal 3 -variable z equal 7 - -lattice sc 9e-6 origin 0.5 0.5 0.5 - -region reg block 0 $x 0 $y 0 $z - -#variable xx internal 0.0 -#variable zz internal 0.0 -#variable v equal "(0.29*v_z*zlat * cos(v_xx/xlat * 4.7*PI*4.0/v_x) + 0.90*v_z*zlat - v_zz) > 0.0" - -#create_atoms 1 region reg var v set x xx set z zz -create_atoms 1 region reg - -neighbor 5e-7 bin - -set type 1 density 28.9 -set type 1 diameter 9e-6 -set type 1 mass 0.847458e-14 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -reset_timestep 0 - -timestep 1e-7 - -#fix 1 all nve/limit 1e-7 -#fix fv all viscous 1e-5 - -#fix zw all wall/gran hooke/history 5000 NULL 500.0 NULL 1.5 0 zplane 0.000000e-04 4e-4 - -variable kanc equal 50 - -#fix zwa all walladh v_kanc zplane 0.000000e-04 4e-4 - -variable ke equal 5e+10 - -variable pfx equal 0.0 -variable pfy equal 0.0 -variable pfz equal 0.0 - -fix 3 all fdrag v_pfx v_pfy v_pfz - -##############Define IBm Variables############## - -#variables used in fix monod -variable EPSratio equal 1.25 - -#variables used in fix kinetics -variable diffT equal 1e-4 -variable tol equal 5e-7 -variable layer equal -1 - -#Defining nufebFoam variables -variable bioSteps equal 1 -variable bioDt equal 60 -variable nloops equal 30 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 160 3 38 v_diffT v_layer niter -1 -fix kgm all kinetics/growth/monod epsdens 30 etahet 0.0 gflag 0 -fix g1 all kinetics/diffusion v_tol -fix cfd1 all sedifoam v_bioSteps v_bioDt v_nloops -fix vf1 all verify 1 bm2 1 demflag 0 - -##############Simulation Output############## - -thermo_style custom step cpu atoms -thermo 1 -thermo_modify lost warn - -run 100 - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/result b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/result deleted file mode 100644 index 40830e477..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/result +++ /dev/null @@ -1,30559 +0,0 @@ -LAMMPS (5 Nov 2016) -# NUFEB simulation - - - -atom_style bio - -atom_modify map array sort 1000 5e-7 - -boundary pp pp pp - -newton off - -processors * * 1 - - - -units si - - - -comm_modify vel yes - -read_data_bio atom.in - - orthogonal box = (0 0 0) to (0.0016 3e-05 0.00038) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 0 atoms - 5 nutrients - - -group HET type 1 - -0 atoms in group HET - - -variable x equal 177 - -variable y equal 3 - -variable z equal 7 - - - -lattice sc 9e-6 origin 0.5 0.5 0.5 - -Lattice spacing in x,y,z = 9e-06 9e-06 9e-06 - - -region reg block 0 $x 0 $y 0 $z - -region reg block 0 177 0 $y 0 $z - -region reg block 0 177 0 3 0 $z - -region reg block 0 177 0 3 0 7 - - - -variable xx internal 0.0 - -variable zz internal 0.0 - -variable v equal "(0.29*v_z*zlat * cos(v_xx/xlat * 4.7*PI*4.0/v_x) + 0.90*v_z*zlat - v_zz) > 0.0" - - - -#create_atoms 1 region reg var v set x xx set z zz - -create_atoms 1 region reg - -Created 3717 atoms - - -neighbor 5e-7 bin - - - -set type 1 density 28.9 - - 3717 settings made for density -set type 1 diameter 9e-6 - - 3717 settings made for diameter -set type 1 mass 0.847458e-14 - - 3717 settings made for mass - - -##############Define DEM Variables&Commands############## - - - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 - -pair_coeff * * - - - -reset_timestep 0 - - - -timestep 1e-7 - - - -#fix 1 all nve/limit 1e-7 - -#fix fv all viscous 1e-5 - - - -#fix zw all wall/gran hooke/history 5000 NULL 500.0 NULL 1.5 0 zplane 0.000000e-04 4e-4 - - - -variable kanc equal 50 - - - -#fix zwa all walladh v_kanc zplane 0.000000e-04 4e-4 - - - -variable ke equal 5e+10 - - - -variable pfx equal 0.0 - -variable pfy equal 0.0 - -variable pfz equal 0.0 - - - -fix 3 all fdrag v_pfx v_pfy v_pfz - - - -##############Define IBm Variables############## - - - -#variables used in fix monod - -variable EPSdens equal 30 - -variable EPSratio equal 1.25 - - - -#variables used in fix kinetics - -variable diffT equal 1e-4 - -variable tol equal 5e-7 - -variable etaHET equal 0 - -variable layer equal -1 - - - -#Defining nufebFoam variables - -variable demSteps equal 1 - -variable bioSteps equal 1 - -variable bioDt equal 60 - -variable nloops equal 30 - - - -##############Define IBm Commands############## - - - -fix k1 all kinetics 1 160 3 38 v_diffT v_layer niter -1 - -fix kgm all kinetics/growth/monod v_EPSdens v_etaHET gflag 0 - -fix g1 all kinetics/diffusion v_tol dn nn nn kg - - - -fix cfd1 all nufebFoam v_demSteps v_bioSteps v_bioDt v_nloops - -fix vf1 all verify 1 bm2 1 demflag 0 - - - -##############Simulation Output############## - - - -#dump id all custom 1 snapshot.bubblemd id type diameter x y z - -#dump du2 all grid 1000 grid_%_*.vti con - -thermo_style custom step cpu atoms biomass - -thermo 10 - -thermo_modify lost warn - - - -run 0 pre no post no -WARNING: EPS is not defined in fix_kinetics/kinetics/monod (../fix_bio_kinetics_monod.cpp:253) -ae = 1.000000e+00, top = 6.300000e-05, base = 6.300000e-05, ave_h = 5.850000e-05 -Neighbor list info ... - 2 neighbor list requests - update every 1 steps, delay 10 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 9.5e-06 - ghost atom cutoff = 9.5e-06 - binsize = 4.75e-06 -> bins = 337 7 80 -Memory usage per processor = 9.27126 Mbytes -Step CPU Atoms biomass - 0 0 3717 3.1500014e-11 -Loop time of 1.90735e-06 on 1 procs for 0 steps with 3717 atoms - -209.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 0 0 3717 3.1500014e-11 -number of iterations: 3698747 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 1 4642.9904 3717 3.1500014e-11 -Loop time of 4642.99 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 2 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 3 0.00049805641 3717 3.1500014e-11 -Loop time of 0.000504971 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 4 0.00049090385 3717 3.1500014e-11 -Loop time of 0.000498056 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 4 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 5 0.0004940033 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 5 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 6 0.00049805641 3717 3.1500014e-11 -Loop time of 0.000504971 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 6 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 7 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 7 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 8 0.00051903725 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 8 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 9 0.00049996376 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 9 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 10 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516176 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 10 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 11 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 11 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 12 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 12 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 13 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 13 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 14 0.00050902367 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 14 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 15 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 15 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 16 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 16 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 17 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 17 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 18 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 18 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 19 0.00049996376 3717 3.1500014e-11 -Loop time of 0.000506878 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 19 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 20 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000513792 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 20 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 21 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 21 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 22 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 22 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 23 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 23 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 24 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 24 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 25 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 25 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 26 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 26 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 27 0.00049901009 3717 3.1500014e-11 -Loop time of 0.000506878 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 27 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 28 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 28 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 29 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 29 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 30 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 30 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 31 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 31 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 32 0.00051879883 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 32 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 33 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 33 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 34 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 34 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 35 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 35 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 36 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000599146 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 36 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 37 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 37 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 38 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 38 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 39 0.00060606003 3717 3.1500014e-11 -Loop time of 0.000613928 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 39 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 40 0.00062394142 3717 3.1500014e-11 -Loop time of 0.000633001 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 40 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 41 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000595808 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 41 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 42 0.00065398216 3717 3.1500014e-11 -Loop time of 0.000666142 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 42 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 43 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 43 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 44 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 44 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 45 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000577211 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 45 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 46 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 46 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 47 0.00054621696 3717 3.1500014e-11 -Loop time of 0.000556231 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 47 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 48 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 48 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 49 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 49 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 50 0.00085401535 3717 3.1500014e-11 -Loop time of 0.000864983 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 50 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 51 0.00056576729 3717 3.1500014e-11 -Loop time of 0.000574827 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 51 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 52 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 52 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 53 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 53 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 54 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 54 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 55 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 55 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 56 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 56 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 57 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 57 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 58 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 58 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 59 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 59 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 60 0.00069212914 3717 3.1500014e-11 -Loop time of 0.000702143 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 60 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 61 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 61 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 62 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 62 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 63 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 63 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 64 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 64 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 65 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 65 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 66 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 66 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 67 0.00057077408 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 67 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 68 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 68 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 69 0.00055480003 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 69 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 70 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 70 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 71 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 71 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 72 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 72 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 73 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 73 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 74 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 74 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 75 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 75 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 76 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 76 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 77 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 77 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 78 0.00049805641 3717 3.1500014e-11 -Loop time of 0.000504971 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 78 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 79 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 79 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 80 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 80 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 81 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 81 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 82 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 82 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 83 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 83 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 84 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 84 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 85 0.0008149147 3717 3.1500014e-11 -Loop time of 0.000825882 on 1 procs for 1 steps with 3717 atoms - -101.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 85 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 86 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 86 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 87 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 87 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 88 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 88 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 89 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 89 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 90 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 90 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 91 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 91 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 92 0.00059294701 3717 3.1500014e-11 -Loop time of 0.000603914 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 92 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 93 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 93 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 94 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 94 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 95 0.00063896179 3717 3.1500014e-11 -Loop time of 0.000648022 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 95 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 96 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 96 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 97 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 97 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 98 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 98 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 99 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 99 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 100 0.00059294701 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 100 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 101 0.00057816505 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 101 0 3717 3.1500014e-11 -number of iterations: 201145 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 102 258.83813 3717 3.1500014e-11 -Loop time of 258.838 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 102 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 103 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 103 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 104 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 104 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 105 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 105 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 106 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 106 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 107 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 107 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 108 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 108 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 109 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 109 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 110 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 110 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 111 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 111 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 112 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 112 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 113 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 113 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 114 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 114 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 115 0.0005838871 3717 3.1500014e-11 -Loop time of 0.000590801 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 115 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 116 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516176 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 116 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 117 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 117 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 118 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -102.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 118 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 119 0.00076007843 3717 3.1500014e-11 -Loop time of 0.000771999 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 119 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 120 0.00055885315 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 120 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 121 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 121 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 122 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 122 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 123 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 123 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 124 0.00061893463 3717 3.1500014e-11 -Loop time of 0.000627041 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 124 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 125 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 125 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 126 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 126 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 127 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 127 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 128 0.0006570816 3717 3.1500014e-11 -Loop time of 0.000677109 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 128 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 129 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 129 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 130 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 130 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 131 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 131 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 132 0.00054621696 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 132 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 133 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 133 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 134 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 134 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 135 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000562191 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 135 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 136 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 136 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 137 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 137 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 138 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 138 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 139 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 139 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 140 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 140 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 141 0.0005068779 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 141 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 142 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 142 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 143 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 143 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 144 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 144 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 145 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 145 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 146 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 146 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 147 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 147 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 148 0.00059008598 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 148 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 149 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 149 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 150 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 150 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 151 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000574827 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 151 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 152 0.00054788589 3717 3.1500014e-11 -Loop time of 0.0005548 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 152 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 153 0.0006480217 3717 3.1500014e-11 -Loop time of 0.000658035 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 153 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 154 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 154 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 155 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 155 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 156 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 156 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 157 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 157 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 158 0.00063109398 3717 3.1500014e-11 -Loop time of 0.000638962 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 158 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 159 0.00049591064 3717 3.1500014e-11 -Loop time of 0.000502825 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 159 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 160 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 160 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 161 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 161 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 162 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 162 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 163 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 163 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 164 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 164 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 165 0.00053977966 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 165 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 166 0.00050187111 3717 3.1500014e-11 -Loop time of 0.000508785 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 166 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 167 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 167 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 168 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 168 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 169 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 169 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 170 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 170 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 171 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 171 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 172 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 172 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 173 0.00051307678 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 173 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 174 0.00052118301 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 174 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 175 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 175 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 176 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 176 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 177 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 177 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 178 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 178 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 179 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 179 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 180 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 180 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 181 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 181 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 182 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 182 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 183 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 183 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 184 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 184 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 185 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 185 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 186 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 186 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 187 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 187 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 188 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 188 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 189 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 189 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 190 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 190 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 191 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 191 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 192 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 192 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 193 0.00062084198 3717 3.1500014e-11 -Loop time of 0.000629902 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 193 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 194 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 194 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 195 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 195 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 196 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 196 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 197 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 197 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 198 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -102.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 198 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 199 0.00069189072 3717 3.1500014e-11 -Loop time of 0.000710964 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 199 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 200 0.00050401688 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 200 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 201 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 201 0 3717 3.1500014e-11 -ssurf = 3.404092e-03 -ssurf2 = 3.636498e-03 -ssurf3 = 3.854357e-03 - 202 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 202 0 3717 3.1500014e-11 -number of iterations: 78043 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 203 100.17967 3717 3.1500014e-11 -Loop time of 100.18 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 203 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 204 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 204 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 205 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 205 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 206 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 206 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 207 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 207 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 208 0.00049996376 3717 3.1500014e-11 -Loop time of 0.000506878 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 208 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 209 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 209 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 210 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 210 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 211 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 211 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 212 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 212 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 213 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 213 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 214 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 214 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 215 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 215 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 216 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 216 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 217 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 217 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 218 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 218 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 219 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 219 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 220 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 220 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 221 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 221 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 222 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 222 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 223 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 223 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 224 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 224 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 225 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 225 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 226 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 226 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 227 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 227 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 228 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 228 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 229 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 229 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 230 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 230 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 231 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 231 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 232 0.00059103966 3717 3.1500014e-11 -Loop time of 0.0006001 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 232 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 233 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 233 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 234 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 234 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 235 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000573158 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 235 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 236 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 236 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 237 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 237 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 238 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 238 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 239 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 239 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 240 0.00051903725 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 240 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 241 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 241 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 242 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 242 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 243 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 243 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 244 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 244 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 245 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 245 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 246 0.00053477287 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 246 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 247 0.00059390068 3717 3.1500014e-11 -Loop time of 0.000600815 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 247 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 248 0.00049901009 3717 3.1500014e-11 -Loop time of 0.000506163 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 248 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 249 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 249 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 250 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 250 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 251 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 251 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 252 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 252 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 253 0.0004940033 3717 3.1500014e-11 -Loop time of 0.000500917 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 253 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 254 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 254 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 255 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 255 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 256 0.00080108643 3717 3.1500014e-11 -Loop time of 0.000810146 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 256 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 257 0.00050377846 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 257 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 258 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 258 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 259 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 259 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 260 0.00057888031 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 260 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 261 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 261 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 262 0.00050091743 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 262 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 263 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 263 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 264 0.00049901009 3717 3.1500014e-11 -Loop time of 0.000505924 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 264 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 265 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 265 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 266 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 266 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 267 0.00071310997 3717 3.1500014e-11 -Loop time of 0.000721931 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 267 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 268 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 268 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 269 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 269 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 270 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 270 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 271 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 271 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 272 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 272 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 273 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 273 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 274 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 274 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 275 0.00051879883 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 275 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 276 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 276 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 277 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 277 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 278 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 278 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 279 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 279 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 280 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 280 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 281 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 281 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 282 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 282 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 283 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 283 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 284 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 284 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 285 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 285 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 286 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 286 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 287 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 287 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 288 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 288 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 289 0.00059914589 3717 3.1500014e-11 -Loop time of 0.000616074 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 289 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 290 0.00053405762 3717 3.1500014e-11 -Loop time of 0.00054121 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 290 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 291 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 291 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 292 0.00051879883 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 292 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 293 0.00051522255 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 293 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 294 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 294 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 295 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 295 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 296 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 296 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 297 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 297 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 298 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 298 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 299 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 299 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 300 0.00060987473 3717 3.1500014e-11 -Loop time of 0.000617027 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 300 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 301 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 301 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 302 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 302 0 3717 3.1500014e-11 -ssurf = 3.561062e-03 -ssurf2 = 3.798291e-03 -ssurf3 = 4.017083e-03 - 303 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 303 0 3717 3.1500014e-11 -number of iterations: 51049 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 304 65.456884 3717 3.1500014e-11 -Loop time of 65.4569 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 304 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 305 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 305 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 306 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 306 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 307 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 307 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 308 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 308 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 309 0.00051879883 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 309 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 310 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 310 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 311 0.0006070137 3717 3.1500014e-11 -Loop time of 0.000617981 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 311 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 312 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 312 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 313 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 313 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 314 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 314 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 315 0.00065207481 3717 3.1500014e-11 -Loop time of 0.000660896 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 315 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 316 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000573158 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 316 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 317 0.00068902969 3717 3.1500014e-11 -Loop time of 0.000701904 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 317 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 318 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 318 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 319 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000612974 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 319 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 320 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 320 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 321 0.00059223175 3717 3.1500014e-11 -Loop time of 0.000613213 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 321 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 322 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 322 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 323 0.00074100494 3717 3.1500014e-11 -Loop time of 0.000751019 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 323 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 324 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000546217 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 324 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 325 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 325 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 326 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 326 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 327 0.00052404404 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 327 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 328 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 328 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 329 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 329 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 330 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 330 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 331 0.00049901009 3717 3.1500014e-11 -Loop time of 0.000505924 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 331 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 332 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 332 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 333 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -101.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 333 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 334 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 334 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 335 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 335 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 336 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 336 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 337 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 337 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 338 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 338 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 339 0.00057888031 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 339 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 340 0.00051021576 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 340 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 341 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 341 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 342 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 342 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 343 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 343 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 344 0.00057721138 3717 3.1500014e-11 -Loop time of 0.000588179 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 344 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 345 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 345 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 346 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 346 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 347 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 347 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 348 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 348 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 349 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 349 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 350 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 350 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 351 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 351 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 352 0.00056385994 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 352 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 353 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 353 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 354 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 354 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 355 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 355 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 356 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 356 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 357 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 357 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 358 0.0006608963 3717 3.1500014e-11 -Loop time of 0.00067091 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 358 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 359 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 359 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 360 0.00077199936 3717 3.1500014e-11 -Loop time of 0.000782967 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 360 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 361 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 361 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 362 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 362 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 363 0.00060105324 3717 3.1500014e-11 -Loop time of 0.000608921 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 363 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 364 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 364 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 365 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 365 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 366 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 366 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 367 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 367 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 368 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 368 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 369 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 369 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 370 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 370 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 371 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 371 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 372 0.00055480003 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 372 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 373 0.00075697899 3717 3.1500014e-11 -Loop time of 0.000766993 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 373 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 374 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 374 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 375 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 375 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 376 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 376 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 377 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 377 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 378 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 378 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 379 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 379 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 380 0.00073599815 3717 3.1500014e-11 -Loop time of 0.000746965 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 380 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 381 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 381 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 382 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 382 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 383 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 383 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 384 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 384 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 385 0.00064897537 3717 3.1500014e-11 -Loop time of 0.000658035 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 385 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 386 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 386 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 387 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 387 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 388 0.00069379807 3717 3.1500014e-11 -Loop time of 0.000702858 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 388 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 389 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 389 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 390 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 390 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 391 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 391 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 392 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 392 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 393 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 393 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 394 0.00054621696 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 394 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 395 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000546217 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 395 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 396 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 396 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 397 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 397 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 398 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 398 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 399 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 399 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 400 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 400 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 401 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 401 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 402 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 402 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 403 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 403 0 3717 3.1500014e-11 -ssurf = 3.635879e-03 -ssurf2 = 3.874578e-03 -ssurf3 = 4.092699e-03 - 404 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 404 0 3717 3.1500014e-11 -number of iterations: 30154 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 405 38.667015 3717 3.1500014e-11 -Loop time of 38.667 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 405 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 406 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 406 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 407 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 407 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 408 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 408 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 409 0.00050282478 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 409 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 410 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 410 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 411 0.00059008598 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 411 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 412 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 412 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 413 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 413 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 414 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 414 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 415 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 415 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 416 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 416 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 417 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 417 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 418 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 418 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 419 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 419 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 420 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 420 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 421 0.00050878525 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 421 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 422 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 422 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 423 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 423 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 424 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 424 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 425 0.00053977966 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 425 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 426 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 426 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 427 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 427 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 428 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 428 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 429 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 429 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 430 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 430 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 431 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 431 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 432 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 432 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 433 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 433 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 434 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 434 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 435 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 435 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 436 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 436 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 437 0.00058293343 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 437 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 438 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 438 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 439 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 439 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 440 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 440 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 441 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 441 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 442 0.00050616264 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 442 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 443 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 443 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 444 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 444 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 445 0.00071501732 3717 3.1500014e-11 -Loop time of 0.000722885 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 445 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 446 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 446 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 447 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 447 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 448 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 448 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 449 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 449 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 450 0.00049805641 3717 3.1500014e-11 -Loop time of 0.000504971 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 450 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 451 0.00065588951 3717 3.1500014e-11 -Loop time of 0.000663042 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 451 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 452 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 452 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 453 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000614882 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 453 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 454 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 454 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 455 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 455 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 456 0.00064992905 3717 3.1500014e-11 -Loop time of 0.00066185 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 456 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 457 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 457 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 458 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 458 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 459 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 459 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 460 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 460 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 461 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 461 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 462 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 462 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 463 0.00060892105 3717 3.1500014e-11 -Loop time of 0.000615835 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 463 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 464 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 464 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 465 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 465 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 466 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 466 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 467 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 467 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 468 0.00049686432 3717 3.1500014e-11 -Loop time of 0.000504017 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 468 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 469 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 469 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 470 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 470 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 471 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 471 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 472 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 472 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 473 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 473 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 474 0.00057387352 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 474 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 475 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 475 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 476 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 476 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 477 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 477 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 478 0.00050711632 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 478 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 479 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 479 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 480 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 480 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 481 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 481 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 482 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 482 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 483 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000594854 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 483 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 484 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 484 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 485 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 485 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 486 0.00063586235 3717 3.1500014e-11 -Loop time of 0.000645876 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 486 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 487 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 487 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 488 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 488 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 489 0.00061798096 3717 3.1500014e-11 -Loop time of 0.000625849 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 489 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 490 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 490 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 491 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 491 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 492 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 492 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 493 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 493 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 494 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 494 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 495 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 495 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 496 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 496 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 497 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 497 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 498 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 498 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 499 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 499 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 500 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 500 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 501 0.00051903725 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 501 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 502 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 502 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 503 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 503 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 504 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 504 0 3717 3.1500014e-11 -ssurf = 3.672607e-03 -ssurf2 = 3.912078e-03 -ssurf3 = 4.129814e-03 - 505 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 505 0 3717 3.1500014e-11 -number of iterations: 13234 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 506 16.995367 3717 3.1500014e-11 -Loop time of 16.9954 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 506 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 507 0.0006210804 3717 3.1500014e-11 -Loop time of 0.000633001 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 507 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 508 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 508 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 509 0.0004940033 3717 3.1500014e-11 -Loop time of 0.000500917 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 509 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 510 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 510 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 511 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 511 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 512 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 512 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 513 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 513 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 514 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 514 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 515 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 515 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 516 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 516 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 517 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 517 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 518 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 518 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 519 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 519 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 520 0.00054121017 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 520 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 521 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 521 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 522 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 522 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 523 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 523 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 524 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 524 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 525 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 525 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 526 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 526 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 527 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 527 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 528 0.00050115585 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 528 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 529 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 529 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 530 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 530 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 531 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 531 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 532 0.00081896782 3717 3.1500014e-11 -Loop time of 0.000828981 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 532 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 533 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 533 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 534 0.00088000298 3717 3.1500014e-11 -Loop time of 0.000889063 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 534 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 535 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 535 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 536 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 536 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 537 0.00075483322 3717 3.1500014e-11 -Loop time of 0.00077486 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 537 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 538 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 538 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 539 0.00054097176 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 539 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 540 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 540 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 541 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 541 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 542 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 542 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 543 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 543 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 544 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 544 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 545 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 545 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 546 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 546 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 547 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 547 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 548 0.00057315826 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 548 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 549 0.00056290627 3717 3.1500014e-11 -Loop time of 0.00056982 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 549 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 550 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 550 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 551 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 551 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 552 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 552 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 553 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 553 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 554 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 554 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 555 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 555 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 556 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 556 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 557 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 557 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 558 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 558 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 559 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 559 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 560 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 560 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 561 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 561 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 562 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 562 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 563 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 563 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 564 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 564 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 565 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 565 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 566 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 566 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 567 0.00078701973 3717 3.1500014e-11 -Loop time of 0.000797987 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 567 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 568 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 568 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 569 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 569 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 570 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 570 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 571 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 571 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 572 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 572 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 573 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000567198 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 573 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 574 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000578165 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 574 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 575 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 575 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 576 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 576 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 577 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 577 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 578 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 578 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 579 0.00052118301 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 579 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 580 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 580 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 581 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 581 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 582 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 582 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 583 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 583 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 584 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 584 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 585 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 585 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 586 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 586 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 587 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 587 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 588 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 588 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 589 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 589 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 590 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 590 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 591 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 591 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 592 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 592 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 593 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 593 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 594 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 594 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 595 0.0006070137 3717 3.1500014e-11 -Loop time of 0.000614882 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 595 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 596 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 596 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 597 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 597 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 598 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 598 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 599 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 599 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 600 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 600 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 601 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 601 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 602 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 602 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 603 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 603 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 604 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 604 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 605 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 605 0 3717 3.1500014e-11 -ssurf = 3.688087e-03 -ssurf2 = 3.928063e-03 -ssurf3 = 4.145783e-03 - 606 0.00050091743 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 606 0 3717 3.1500014e-11 -number of iterations: 10764 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 607 13.817269 3717 3.1500014e-11 -Loop time of 13.8173 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 607 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 608 0.00050878525 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 608 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 609 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 609 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 610 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 610 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 611 0.00072908401 3717 3.1500014e-11 -Loop time of 0.000738144 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 611 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 612 0.00050020218 3717 3.1500014e-11 -Loop time of 0.000507116 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 612 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 613 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 613 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 614 0.00051903725 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 614 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 615 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 615 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 616 0.00052118301 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 616 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 617 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 617 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 618 0.00049996376 3717 3.1500014e-11 -Loop time of 0.000507116 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 618 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 619 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 619 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 620 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 620 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 621 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 621 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 622 0.00055480003 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 622 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 623 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 623 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 624 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 624 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 625 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 625 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 626 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 626 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 627 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 627 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 628 0.00050115585 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 628 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 629 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 629 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 630 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 630 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 631 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 631 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 632 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 632 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 633 0.0005979538 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 633 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 634 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 634 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 635 0.00051021576 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 635 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 636 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 636 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 637 0.00056409836 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 637 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 638 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 638 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 639 0.00051879883 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 639 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 640 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 640 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 641 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 641 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 642 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 642 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 643 0.00051021576 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 643 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 644 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 644 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 645 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 645 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 646 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 646 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 647 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 647 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 648 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 648 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 649 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 649 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 650 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 650 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 651 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 651 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 652 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 652 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 653 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516176 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 653 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 654 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 654 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 655 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 655 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 656 0.00051903725 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 656 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 657 0.0006737709 3717 3.1500014e-11 -Loop time of 0.000681877 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 657 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 658 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 658 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 659 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 659 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 660 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 660 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 661 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 661 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 662 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 662 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 663 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 663 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 664 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 664 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 665 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 665 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 666 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 666 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 667 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 667 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 668 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 668 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 669 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 669 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 670 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 670 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 671 0.00059580803 3717 3.1500014e-11 -Loop time of 0.000603914 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 671 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 672 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 672 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 673 0.00067806244 3717 3.1500014e-11 -Loop time of 0.000689983 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 673 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 674 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 674 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 675 0.00054621696 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 675 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 676 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 676 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 677 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 677 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 678 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 678 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 679 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516176 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 679 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 680 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 680 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 681 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000594854 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 681 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 682 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 682 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 683 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 683 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 684 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 684 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 685 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 685 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 686 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 686 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 687 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 687 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 688 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 688 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 689 0.00080800056 3717 3.1500014e-11 -Loop time of 0.000818968 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 689 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 690 0.00068998337 3717 3.1500014e-11 -Loop time of 0.000697851 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 690 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 691 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 691 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 692 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 692 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 693 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 693 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 694 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 694 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 695 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 695 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 696 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 696 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 697 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000601053 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 697 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 698 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 698 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 699 0.00061702728 3717 3.1500014e-11 -Loop time of 0.000637054 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 699 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 700 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 700 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 701 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 701 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 702 0.0009970665 3717 3.1500014e-11 -Loop time of 0.00100613 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 702 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 703 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 703 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 704 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 704 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 705 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 705 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 706 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 706 0 3717 3.1500014e-11 -ssurf = 3.699921e-03 -ssurf2 = 3.939984e-03 -ssurf3 = 4.157416e-03 - 707 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 707 0 3717 3.1500014e-11 -number of iterations: 6154 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 708 7.887058 3717 3.1500014e-11 -Loop time of 7.88707 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 708 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 709 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 709 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 710 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 710 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 711 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 711 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 712 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 712 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 713 0.00057792664 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 713 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 714 0.0005068779 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 714 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 715 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 715 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 716 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 716 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 717 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 717 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 718 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 718 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 719 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000570774 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 719 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 720 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 720 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 721 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 721 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 722 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 722 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 723 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 723 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 724 0.00057792664 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 724 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 725 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 725 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 726 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 726 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 727 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 727 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 728 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 728 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 729 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 729 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 730 0.00060296059 3717 3.1500014e-11 -Loop time of 0.000613928 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 730 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 731 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 731 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 732 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 732 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 733 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 733 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 734 0.00058221817 3717 3.1500014e-11 -Loop time of 0.000593185 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 734 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 735 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 735 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 736 0.00050187111 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 736 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 737 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 737 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 738 0.00065588951 3717 3.1500014e-11 -Loop time of 0.000666857 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 738 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 739 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 739 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 740 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 740 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 741 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 741 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 742 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 742 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 743 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 743 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 744 0.00058102608 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 744 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 745 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 745 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 746 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 746 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 747 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 747 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 748 0.00051879883 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 748 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 749 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 749 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 750 0.00065612793 3717 3.1500014e-11 -Loop time of 0.000676155 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 750 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 751 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 751 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 752 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 752 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 753 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 753 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 754 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 754 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 755 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000595093 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 755 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 756 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 756 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 757 0.00056385994 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 757 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 758 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 758 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 759 0.00063109398 3717 3.1500014e-11 -Loop time of 0.000643015 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 759 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 760 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -101.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 760 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 761 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 761 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 762 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 762 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 763 0.00057291985 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 763 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 764 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 764 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 765 0.0005710125 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 765 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 766 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 766 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 767 0.00050401688 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 767 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 768 0.00058102608 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 768 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 769 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 769 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 770 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 770 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 771 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 771 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 772 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 772 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 773 0.00056481361 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 773 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 774 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 774 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 775 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 775 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 776 0.00056099892 3717 3.1500014e-11 -Loop time of 0.00056982 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 776 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 777 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 777 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 778 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 778 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 779 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 779 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 780 0.00064897537 3717 3.1500014e-11 -Loop time of 0.000656843 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 780 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 781 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000609875 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 781 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 782 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 782 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 783 0.00057315826 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 783 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 784 0.00060582161 3717 3.1500014e-11 -Loop time of 0.000614882 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 784 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 785 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 785 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 786 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 786 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 787 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000578165 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 787 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 788 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 788 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 789 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 789 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 790 0.00069785118 3717 3.1500014e-11 -Loop time of 0.000708818 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 790 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 791 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 791 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 792 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 792 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 793 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 793 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 794 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000585794 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 794 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 795 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000611067 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 795 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 796 0.00073409081 3717 3.1500014e-11 -Loop time of 0.000745058 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 796 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 797 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 797 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 798 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 798 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 799 0.00058484077 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 799 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 800 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 800 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 801 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520229 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 801 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 802 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 802 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 803 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 803 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 804 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 804 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 805 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 805 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 806 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 806 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 807 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 807 0 3717 3.1500014e-11 -ssurf = 3.706090e-03 -ssurf2 = 3.946102e-03 -ssurf3 = 4.163301e-03 - 808 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 808 0 3717 3.1500014e-11 -number of iterations: 3598 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 809 4.6249261 3717 3.1500014e-11 -Loop time of 4.62494 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 809 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 810 0.00060892105 3717 3.1500014e-11 -Loop time of 0.000617027 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 810 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 811 0.00055480003 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 811 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 812 0.00059890747 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 812 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 813 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 813 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 814 0.00057792664 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 814 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 815 0.0007250309 3717 3.1500014e-11 -Loop time of 0.000732899 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 815 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 816 0.00058889389 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 816 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 817 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 817 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 818 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 818 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 819 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 819 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 820 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 820 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 821 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 821 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 822 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 822 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 823 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 823 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 824 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 824 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 825 0.00063705444 3717 3.1500014e-11 -Loop time of 0.000646114 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 825 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 826 0.00055885315 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 826 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 827 0.00056481361 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 827 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 828 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 828 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 829 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 829 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 830 0.00061011314 3717 3.1500014e-11 -Loop time of 0.000620127 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 830 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 831 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 831 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 832 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 832 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 833 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 833 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 834 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000529766 on 1 procs for 1 steps with 3717 atoms - -101.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 834 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 835 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 835 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 836 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 836 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 837 0.00050091743 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 837 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 838 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 838 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 839 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 839 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 840 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 840 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 841 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 841 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 842 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 842 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 843 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 843 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 844 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000564814 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 844 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 845 0.00057315826 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 845 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 846 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 846 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 847 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 847 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 848 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 848 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 849 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 849 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 850 0.00082397461 3717 3.1500014e-11 -Loop time of 0.000837088 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 850 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 851 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 851 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 852 0.00050878525 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 852 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 853 0.00050711632 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 853 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 854 0.00057315826 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 854 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 855 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 855 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 856 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 856 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 857 0.00055885315 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 857 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 858 0.00056409836 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 858 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 859 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 859 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 860 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 860 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 861 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 861 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 862 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 862 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 863 0.0004940033 3717 3.1500014e-11 -Loop time of 0.00050211 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 863 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 864 0.00049710274 3717 3.1500014e-11 -Loop time of 0.000504017 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 864 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 865 0.00057387352 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 865 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 866 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 866 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 867 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 867 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 868 0.00050187111 3717 3.1500014e-11 -Loop time of 0.000508785 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 868 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 869 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 869 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 870 0.00057482719 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 870 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 871 0.00081396103 3717 3.1500014e-11 -Loop time of 0.000822067 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 871 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 872 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 872 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 873 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 873 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 874 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 874 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 875 0.00050282478 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 875 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 876 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 876 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 877 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 877 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 878 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 878 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 879 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 879 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 880 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 880 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 881 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 881 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 882 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 882 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 883 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 883 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 884 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 884 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 885 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 885 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 886 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 886 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 887 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 887 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 888 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 888 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 889 0.00050282478 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 889 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 890 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 890 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 891 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 891 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 892 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 892 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 893 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 893 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 894 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 894 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 895 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 895 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 896 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 896 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 897 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 897 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 898 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000510216 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 898 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 899 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 899 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 900 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 900 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 901 0.00050187111 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 901 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 902 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 902 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 903 0.00055503845 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 903 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 904 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 904 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 905 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 905 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 906 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 906 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 907 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 907 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 908 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 908 0 3717 3.1500014e-11 -ssurf = 3.709528e-03 -ssurf2 = 3.949493e-03 -ssurf3 = 4.166548e-03 - 909 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 909 0 3717 3.1500014e-11 -number of iterations: 2111 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 910 2.7107761 3717 3.1500014e-11 -Loop time of 2.71079 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 910 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 911 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 911 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 912 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 912 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 913 0.00049901009 3717 3.1500014e-11 -Loop time of 0.000506163 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 913 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 914 0.00051617622 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 914 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 915 0.00053977966 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 915 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 916 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 916 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 917 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 917 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 918 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 918 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 919 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 919 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 920 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 920 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 921 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 921 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 922 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 922 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 923 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 923 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 924 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 924 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 925 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 925 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 926 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 926 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 927 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -101.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 927 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 928 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 928 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 929 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 929 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 930 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 930 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 931 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 931 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 932 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 932 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 933 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 933 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 934 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 934 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 935 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 935 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 936 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 936 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 937 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 937 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 938 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000551224 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 938 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 939 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 939 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 940 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 940 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 941 0.00050520897 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 941 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 942 0.00059580803 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 942 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 943 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 943 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 944 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 944 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 945 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 945 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 946 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 946 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 947 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 947 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 948 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 948 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 949 0.00051522255 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 949 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 950 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 950 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 951 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 951 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 952 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 952 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 953 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 953 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 954 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 954 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 955 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 955 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 956 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 956 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 957 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 957 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 958 0.00067210197 3717 3.1500014e-11 -Loop time of 0.000680923 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 958 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 959 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 959 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 960 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 960 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 961 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 961 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 962 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 962 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 963 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 963 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 964 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 964 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 965 0.00053620338 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 965 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 966 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 966 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 967 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 967 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 968 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 968 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 969 0.00056886673 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -101.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 969 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 970 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 970 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 971 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 971 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 972 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 972 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 973 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 973 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 974 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 974 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 975 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 975 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 976 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 976 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 977 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 977 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 978 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 978 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 979 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 979 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 980 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 980 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 981 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 981 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 982 0.00050902367 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 982 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 983 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 983 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 984 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 984 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 985 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 985 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 986 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 986 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 987 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 987 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 988 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 988 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 989 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 989 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 990 0.0005068779 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 990 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 991 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 991 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 992 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 992 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 993 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 993 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 994 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 994 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 995 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 995 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 996 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 996 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 997 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 997 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 998 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 998 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 999 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 999 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1000 0.00057315826 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1000 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1001 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1001 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1002 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1002 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1003 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1003 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1004 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1004 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1005 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1005 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1006 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1006 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1007 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1007 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1008 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1008 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1009 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1009 0 3717 3.1500014e-11 -ssurf = 3.711489e-03 -ssurf2 = 3.951421e-03 -ssurf3 = 4.168389e-03 - 1010 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1010 0 3717 3.1500014e-11 -number of iterations: 1238 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1011 1.5939932 3717 3.1500014e-11 -Loop time of 1.594 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1011 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1012 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1012 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1013 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1013 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1014 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1014 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1015 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1015 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1016 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1016 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1017 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1017 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1018 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1018 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1019 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1019 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1020 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1020 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1021 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1021 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1022 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1022 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1023 0.00056290627 3717 3.1500014e-11 -Loop time of 0.00056982 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1023 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1024 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1024 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1025 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1025 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1026 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1026 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1027 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1027 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1028 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1028 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1029 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1029 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1030 0.00061297417 3717 3.1500014e-11 -Loop time of 0.00062108 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1030 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1031 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1031 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1032 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1032 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1033 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1033 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1034 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1034 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1035 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1035 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1036 0.00049805641 3717 3.1500014e-11 -Loop time of 0.000504971 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1036 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1037 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1037 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1038 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1038 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1039 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1039 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1040 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1040 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1041 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1041 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1042 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1042 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1043 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1043 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1044 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1044 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1045 0.00050711632 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1045 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1046 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1046 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1047 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1047 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1048 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1048 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1049 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000513792 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1049 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1050 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1050 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1051 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1051 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1052 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1052 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1053 0.00077605247 3717 3.1500014e-11 -Loop time of 0.000785112 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1053 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1054 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1054 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1055 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1055 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1056 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1056 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1057 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1057 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1058 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1058 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1059 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1059 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1060 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1060 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1061 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1061 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1062 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1062 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1063 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1063 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1064 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1064 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1065 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1065 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1066 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1066 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1067 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1067 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1068 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1068 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1069 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1069 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1070 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1070 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1071 0.00058484077 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1071 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1072 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1072 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1073 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1073 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1074 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1074 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1075 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1075 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1076 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1076 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1077 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1077 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1078 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1078 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1079 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1079 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1080 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1080 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1081 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1081 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1082 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1082 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1083 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -101.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1083 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1084 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1084 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1085 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1085 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1086 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1086 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1087 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1087 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1088 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1088 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1089 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1089 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1090 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1090 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1091 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1091 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1092 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1092 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1093 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1093 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1094 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1094 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1095 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1095 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1096 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1096 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1097 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1097 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1098 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1098 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1099 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1099 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1100 0.00067305565 3717 3.1500014e-11 -Loop time of 0.000684023 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1100 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1101 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1101 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1102 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1102 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1103 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1103 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1104 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1104 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1105 0.00050711632 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1105 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1106 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1106 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1107 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1107 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1108 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1108 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1109 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1109 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1110 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1110 0 3717 3.1500014e-11 -ssurf = 3.712617e-03 -ssurf2 = 3.952529e-03 -ssurf3 = 4.169445e-03 - 1111 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1111 0 3717 3.1500014e-11 -number of iterations: 722 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1112 0.92933702 3717 3.1500014e-11 -Loop time of 0.929351 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1112 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1113 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1113 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1114 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1114 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1115 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1115 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1116 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1116 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1117 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1117 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1118 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1118 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1119 0.00059199333 3717 3.1500014e-11 -Loop time of 0.000617981 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1119 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1120 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1120 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1121 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1121 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1122 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -101.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1122 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1123 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1123 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1124 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1124 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1125 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1125 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1126 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1126 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1127 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1127 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1128 0.00049996376 3717 3.1500014e-11 -Loop time of 0.000506878 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1128 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1129 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1129 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1130 0.00071597099 3717 3.1500014e-11 -Loop time of 0.000725031 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1130 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1131 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1131 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1132 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1132 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1133 0.00050520897 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1133 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1134 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1134 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1135 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1135 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1136 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1136 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1137 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1137 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1138 0.00053405762 3717 3.1500014e-11 -Loop time of 0.00054121 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1138 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1139 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1139 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1140 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1140 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1141 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1141 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1142 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1142 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1143 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1143 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1144 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1144 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1145 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1145 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1146 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1146 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1147 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000516176 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1147 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1148 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1148 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1149 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520229 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1149 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1150 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1150 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1151 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516176 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1151 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1152 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1152 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1153 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1153 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1154 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1154 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1155 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1155 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1156 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546217 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1156 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1157 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1157 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1158 0.0005068779 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1158 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1159 0.00068092346 3717 3.1500014e-11 -Loop time of 0.000689983 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1159 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1160 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1160 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1161 0.00051403046 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1161 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1162 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -101.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1162 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1163 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1163 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1164 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1164 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1165 0.00054121017 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1165 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1166 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000577211 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1166 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1167 0.00067520142 3717 3.1500014e-11 -Loop time of 0.000686169 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1167 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1168 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1168 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1169 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1169 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1170 0.00049901009 3717 3.1500014e-11 -Loop time of 0.000506163 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1170 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1171 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1171 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1172 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1172 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1173 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1173 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1174 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1174 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1175 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1175 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1176 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1176 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1177 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1177 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1178 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1178 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1179 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1179 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1180 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1180 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1181 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -97.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1181 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1182 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1182 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1183 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1183 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1184 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1184 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1185 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1185 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1186 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1186 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1187 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1187 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1188 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1188 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1189 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1189 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1190 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1190 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1191 0.00059390068 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1191 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1192 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1192 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1193 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1193 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1194 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1194 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1195 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1195 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1196 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1196 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1197 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1197 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1198 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1198 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1199 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1199 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1200 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1200 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1201 0.00061798096 3717 3.1500014e-11 -Loop time of 0.000638008 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1201 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1202 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1202 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1203 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1203 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1204 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1204 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1205 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1205 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1206 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1206 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1207 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1207 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1208 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1208 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1209 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1209 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1210 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1210 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1211 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1211 0 3717 3.1500014e-11 -ssurf = 3.713268e-03 -ssurf2 = 3.953167e-03 -ssurf3 = 4.170052e-03 - 1212 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1212 0 3717 3.1500014e-11 -number of iterations: 413 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1213 0.53490496 3717 3.1500014e-11 -Loop time of 0.534917 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1213 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1214 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1214 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1215 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1215 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1216 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1216 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1217 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1217 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1218 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1218 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1219 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1219 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1220 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1220 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1221 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1221 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1222 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1222 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1223 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1223 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1224 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1224 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1225 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1225 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1226 0.00071597099 3717 3.1500014e-11 -Loop time of 0.000725031 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1226 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1227 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -102.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1227 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1228 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1228 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1229 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1229 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1230 0.00051021576 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1230 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1231 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1231 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1232 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1232 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1233 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1233 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1234 0.00051617622 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1234 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1235 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1235 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1236 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1236 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1237 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1237 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1238 0.00054478645 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1238 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1239 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1239 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1240 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1240 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1241 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520229 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1241 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1242 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1242 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1243 0.00050592422 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1243 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1244 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1244 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1245 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1245 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1246 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1246 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1247 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1247 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1248 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1248 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1249 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1249 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1250 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1250 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1251 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1251 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1252 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1252 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1253 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1253 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1254 0.00052118301 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1254 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1255 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1255 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1256 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1256 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1257 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -102.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1257 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1258 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1258 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1259 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1259 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1260 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1260 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1261 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1261 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1262 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1262 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1263 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1263 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1264 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1264 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1265 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1265 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1266 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520229 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1266 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1267 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1267 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1268 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1268 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1269 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1269 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1270 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1270 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1271 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1271 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1272 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1272 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1273 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1273 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1274 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1274 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1275 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1275 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1276 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1276 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1277 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1277 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1278 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1278 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1279 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1279 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1280 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1280 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1281 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1281 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1282 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1282 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1283 0.0005068779 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1283 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1284 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1284 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1285 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1285 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1286 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1286 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1287 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1287 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1288 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1288 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1289 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1289 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1290 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1290 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1291 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1291 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1292 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1292 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1293 0.00050020218 3717 3.1500014e-11 -Loop time of 0.000507116 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1293 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1294 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1294 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1295 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1295 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1296 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1296 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1297 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1297 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1298 0.00050520897 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1298 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1299 0.00077605247 3717 3.1500014e-11 -Loop time of 0.00078392 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1299 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1300 0.00075507164 3717 3.1500014e-11 -Loop time of 0.000763178 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1300 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1301 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1301 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1302 0.00059008598 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1302 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1303 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1303 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1304 0.00059199333 3717 3.1500014e-11 -Loop time of 0.000599861 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1304 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1305 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1305 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1306 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1306 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1307 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1307 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1308 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1308 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1309 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1309 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1310 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1310 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1311 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000584841 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1311 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1312 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1312 0 3717 3.1500014e-11 -ssurf = 3.713638e-03 -ssurf2 = 3.953529e-03 -ssurf3 = 4.170397e-03 - 1313 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1313 0 3717 3.1500014e-11 -number of iterations: 234 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1314 0.30201411 3717 3.1500014e-11 -Loop time of 0.302025 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1314 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1315 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1315 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1316 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1316 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1317 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1317 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1318 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1318 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1319 0.00050091743 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1319 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1320 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1320 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1321 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1321 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1322 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1322 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1323 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1323 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1324 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1324 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1325 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1325 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1326 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1326 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1327 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1327 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1328 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1328 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1329 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1329 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1330 0.0005710125 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1330 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1331 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1331 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1332 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1332 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1333 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1333 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1334 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1334 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1335 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1335 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1336 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1336 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1337 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1337 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1338 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1338 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1339 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1339 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1340 0.00061011314 3717 3.1500014e-11 -Loop time of 0.000618219 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1340 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1341 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1341 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1342 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1342 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1343 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1343 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1344 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1344 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1345 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1345 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1346 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1346 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1347 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1347 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1348 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1348 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1349 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1349 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1350 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1350 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1351 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1351 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1352 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1352 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1353 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1353 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1354 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1354 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1355 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1355 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1356 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1356 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1357 0.00051903725 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1357 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1358 0.00049901009 3717 3.1500014e-11 -Loop time of 0.000505924 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1358 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1359 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1359 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1360 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1360 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1361 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1361 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1362 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1362 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1363 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1363 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1364 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1364 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1365 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000574827 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1365 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1366 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1366 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1367 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1367 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1368 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1368 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1369 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1369 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1370 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1370 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1371 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1371 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1372 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1372 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1373 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1373 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1374 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1374 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1375 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1375 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1376 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1376 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1377 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1377 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1378 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1378 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1379 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1379 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1380 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1380 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1381 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1381 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1382 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1382 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1383 0.0006980896 3717 3.1500014e-11 -Loop time of 0.000715971 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1383 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1384 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1384 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1385 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1385 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1386 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1386 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1387 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1387 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1388 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1388 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1389 0.00054097176 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1389 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1390 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1390 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1391 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1391 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1392 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1392 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1393 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1393 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1394 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1394 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1395 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1395 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1396 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1396 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1397 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1397 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1398 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1398 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1399 0.00050187111 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1399 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1400 0.00057983398 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1400 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1401 0.00050115585 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1401 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1402 0.00081276894 3717 3.1500014e-11 -Loop time of 0.000825882 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1402 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1403 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1403 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1404 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1404 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1405 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1405 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1406 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1406 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1407 0.00066399574 3717 3.1500014e-11 -Loop time of 0.000684977 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1407 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1408 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1408 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1409 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1409 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1410 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1410 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1411 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1411 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1412 0.00061583519 3717 3.1500014e-11 -Loop time of 0.000623941 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1412 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1413 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1413 0 3717 3.1500014e-11 -ssurf = 3.713846e-03 -ssurf2 = 3.953733e-03 -ssurf3 = 4.170591e-03 - 1414 0.00051808357 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1414 0 3717 3.1500014e-11 -number of iterations: 132 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1415 0.17137599 3717 3.1500014e-11 -Loop time of 0.171397 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1415 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1416 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1416 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1417 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1417 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1418 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1418 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1419 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1419 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1420 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1420 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1421 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1421 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1422 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1422 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1423 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1423 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1424 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1424 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1425 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1425 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1426 0.00059390068 3717 3.1500014e-11 -Loop time of 0.000601768 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1426 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1427 0.00063300133 3717 3.1500014e-11 -Loop time of 0.000643015 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1427 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1428 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1428 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1429 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1429 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1430 0.00050616264 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1430 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1431 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1431 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1432 0.0005838871 3717 3.1500014e-11 -Loop time of 0.000600815 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1432 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1433 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1433 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1434 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1434 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1435 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1435 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1436 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1436 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1437 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1437 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1438 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1438 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1439 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1439 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1440 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1440 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1441 0.00060105324 3717 3.1500014e-11 -Loop time of 0.000608921 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1441 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1442 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1442 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1443 0.00050520897 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1443 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1444 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1444 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1445 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1445 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1446 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1446 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1447 0.00068187714 3717 3.1500014e-11 -Loop time of 0.000689983 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1447 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1448 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1448 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1449 0.00050282478 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1449 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1450 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1450 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1451 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1451 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1452 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1452 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1453 0.00057911873 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1453 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1454 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1454 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1455 0.00050187111 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1455 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1456 0.00052118301 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1456 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1457 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1457 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1458 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1458 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1459 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1459 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1460 0.00050187111 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1460 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1461 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1461 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1462 0.0007288456 3717 3.1500014e-11 -Loop time of 0.000736952 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1462 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1463 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1463 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1464 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1464 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1465 0.00050377846 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1465 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1466 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1466 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1467 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1467 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1468 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1468 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1469 0.00068902969 3717 3.1500014e-11 -Loop time of 0.000696182 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1469 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1470 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1470 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1471 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1471 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1472 0.00050115585 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1472 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1473 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1473 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1474 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1474 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1475 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1475 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1476 0.00049710274 3717 3.1500014e-11 -Loop time of 0.000504017 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1476 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1477 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1477 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1478 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1478 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1479 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1479 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1480 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1480 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1481 0.00063896179 3717 3.1500014e-11 -Loop time of 0.000657797 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1481 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1482 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1482 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1483 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1483 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1484 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1484 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1485 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1485 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1486 0.00049591064 3717 3.1500014e-11 -Loop time of 0.000503063 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1486 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1487 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1487 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1488 0.00049495697 3717 3.1500014e-11 -Loop time of 0.000501871 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1488 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1489 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1489 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1490 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1490 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1491 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1491 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1492 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1492 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1493 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1493 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1494 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1494 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1495 0.00077199936 3717 3.1500014e-11 -Loop time of 0.000779867 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1495 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1496 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1496 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1497 0.00049710274 3717 3.1500014e-11 -Loop time of 0.000504017 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1497 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1498 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1498 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1499 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1499 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1500 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1500 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1501 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1501 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1502 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1502 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1503 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1503 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1504 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1504 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1505 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1505 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1506 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1506 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1507 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1507 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1508 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1508 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1509 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1509 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1510 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1510 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1511 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1511 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1512 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1512 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1513 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1513 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1514 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1514 0 3717 3.1500014e-11 -ssurf = 3.713964e-03 -ssurf2 = 3.953848e-03 -ssurf3 = 4.170700e-03 - 1515 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1515 0 3717 3.1500014e-11 -number of iterations: 74 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1516 0.096487999 3717 3.1500014e-11 -Loop time of 0.0965099 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1516 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1517 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1517 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1518 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1518 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1519 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1519 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1520 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1520 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1521 0.00053977966 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1521 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1522 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1522 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1523 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1523 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1524 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1524 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1525 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1525 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1526 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1526 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1527 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1527 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1528 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1528 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1529 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1529 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1530 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1530 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1531 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1531 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1532 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1532 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1533 0.00056886673 3717 3.1500014e-11 -Loop time of 0.000575781 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1533 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1534 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1534 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1535 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1535 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1536 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1536 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1537 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1537 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1538 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1538 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1539 0.00049805641 3717 3.1500014e-11 -Loop time of 0.000505209 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1539 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1540 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1540 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1541 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1541 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1542 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1542 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1543 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1543 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1544 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1544 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1545 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1545 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1546 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1546 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1547 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1547 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1548 0.00070095062 3717 3.1500014e-11 -Loop time of 0.000709057 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1548 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1549 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1549 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1550 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1550 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1551 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1551 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1552 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1552 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1553 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1553 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1554 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1554 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1555 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1555 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1556 0.00049710274 3717 3.1500014e-11 -Loop time of 0.000504017 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1556 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1557 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1557 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1558 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1558 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1559 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1559 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1560 0.00050282478 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1560 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1561 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1561 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1562 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1562 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1563 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1563 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1564 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1564 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1565 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536203 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1565 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1566 0.00052118301 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1566 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1567 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1567 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1568 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1568 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1569 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1569 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1570 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1570 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1571 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1571 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1572 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1572 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1573 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1573 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1574 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1574 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1575 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1575 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1576 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1576 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1577 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1577 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1578 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000567198 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1578 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1579 0.00050020218 3717 3.1500014e-11 -Loop time of 0.000507116 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1579 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1580 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1580 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1581 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1581 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1582 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000589848 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1582 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1583 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1583 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1584 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1584 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1585 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1585 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1586 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1586 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1587 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1587 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1588 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1588 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1589 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1589 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1590 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1590 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1591 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1591 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1592 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1592 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1593 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1593 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1594 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1594 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1595 0.00055980682 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1595 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1596 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1596 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1597 0.00068593025 3717 3.1500014e-11 -Loop time of 0.000694036 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1597 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1598 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1598 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1599 0.00050115585 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1599 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1600 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1600 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1601 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1601 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1602 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1602 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1603 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1603 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1604 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1604 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1605 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1605 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1606 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1606 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1607 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1607 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1608 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1608 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1609 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1609 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1610 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1610 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1611 0.00060606003 3717 3.1500014e-11 -Loop time of 0.000616074 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1611 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1612 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1612 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1613 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1613 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1614 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1614 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1615 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1615 0 3717 3.1500014e-11 -ssurf = 3.714029e-03 -ssurf2 = 3.953913e-03 -ssurf3 = 4.170761e-03 - 1616 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1616 0 3717 3.1500014e-11 -number of iterations: 42 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1617 0.054630041 3717 3.1500014e-11 -Loop time of 0.054641 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1617 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1618 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1618 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1619 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1619 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1620 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1620 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1621 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1621 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1622 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1622 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1623 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1623 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1624 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1624 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1625 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1625 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1626 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1626 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1627 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1627 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1628 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1628 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1629 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1629 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1630 0.00069904327 3717 3.1500014e-11 -Loop time of 0.000716925 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1630 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1631 0.00059199333 3717 3.1500014e-11 -Loop time of 0.0006001 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1631 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1632 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1632 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1633 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1633 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1634 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1634 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1635 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1635 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1636 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1636 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1637 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1637 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1638 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1638 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1639 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1639 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1640 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1640 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1641 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1641 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1642 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1642 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1643 0.00051617622 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1643 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1644 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1644 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1645 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1645 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1646 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1646 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1647 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1647 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1648 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1648 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1649 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1649 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1650 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1650 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1651 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1651 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1652 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1652 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1653 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1653 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1654 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1654 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1655 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1655 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1656 0.00050091743 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1656 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1657 0.00060510635 3717 3.1500014e-11 -Loop time of 0.000613213 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1657 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1658 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1658 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1659 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1659 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1660 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1660 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1661 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1661 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1662 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1662 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1663 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1663 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1664 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1664 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1665 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1665 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1666 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1666 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1667 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1667 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1668 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1668 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1669 0.00062203407 3717 3.1500014e-11 -Loop time of 0.00063014 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1669 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1670 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1670 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1671 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1671 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1672 0.00058817863 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1672 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1673 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1673 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1674 0.00049996376 3717 3.1500014e-11 -Loop time of 0.000507116 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1674 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1675 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1675 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1676 0.00054478645 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1676 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1677 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1677 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1678 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1678 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1679 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1679 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1680 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1680 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1681 0.00072908401 3717 3.1500014e-11 -Loop time of 0.000741005 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1681 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1682 0.00049996376 3717 3.1500014e-11 -Loop time of 0.000507116 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1682 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1683 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1683 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1684 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1684 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1685 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1685 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1686 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1686 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1687 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1687 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1688 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1688 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1689 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1689 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1690 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1690 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1691 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1691 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1692 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1692 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1693 0.00067305565 3717 3.1500014e-11 -Loop time of 0.000681162 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1693 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1694 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1694 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1695 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1695 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1696 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1696 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1697 0.00051617622 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1697 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1698 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1698 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1699 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1699 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1700 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1700 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1701 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1701 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1702 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1702 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1703 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1703 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1704 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1704 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1705 0.0007288456 3717 3.1500014e-11 -Loop time of 0.000737906 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1705 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1706 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1706 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1707 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1707 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1708 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1708 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1709 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1709 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1710 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1710 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1711 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1711 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1712 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1712 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1713 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1713 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1714 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1714 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1715 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1715 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1716 0.00051522255 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1716 0 3717 3.1500014e-11 -ssurf = 3.714067e-03 -ssurf2 = 3.953949e-03 -ssurf3 = 4.170796e-03 - 1717 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1717 0 3717 3.1500014e-11 -number of iterations: 24 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1718 0.031915903 3717 3.1500014e-11 -Loop time of 0.0319259 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1718 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1719 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1719 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1720 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1720 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1721 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1721 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1722 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1722 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1723 0.00055885315 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1723 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1724 0.00072693825 3717 3.1500014e-11 -Loop time of 0.000740051 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1724 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1725 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1725 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1726 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1726 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1727 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1727 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1728 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1728 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1729 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1729 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1730 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1730 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1731 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1731 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1732 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1732 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1733 0.00075507164 3717 3.1500014e-11 -Loop time of 0.000764132 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1733 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1734 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1734 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1735 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1735 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1736 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1736 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1737 0.00056290627 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1737 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1738 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1738 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1739 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1739 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1740 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1740 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1741 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1741 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1742 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1742 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1743 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1743 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1744 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1744 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1745 0.00050878525 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1745 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1746 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1746 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1747 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1747 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1748 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1748 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1749 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1749 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1750 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1750 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1751 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1751 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1752 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1752 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1753 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1753 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1754 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1754 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1755 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1755 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1756 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1756 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1757 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1757 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1758 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1758 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1759 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1759 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1760 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1760 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1761 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1761 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1762 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1762 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1763 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1763 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1764 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1764 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1765 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1765 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1766 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1766 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1767 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1767 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1768 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1768 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1769 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1769 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1770 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1770 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1771 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1771 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1772 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1772 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1773 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1773 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1774 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1774 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1775 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1775 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1776 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1776 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1777 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1777 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1778 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1778 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1779 0.0007750988 3717 3.1500014e-11 -Loop time of 0.000786066 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1779 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1780 0.00054478645 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1780 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1781 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1781 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1782 0.00052404404 3717 3.1500014e-11 -Loop time of 0.00054121 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1782 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1783 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1783 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1784 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1784 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1785 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1785 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1786 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1786 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1787 0.00051021576 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1787 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1788 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1788 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1789 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1789 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1790 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1790 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1791 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1791 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1792 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1792 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1793 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1793 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1794 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1794 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1795 0.00050711632 3717 3.1500014e-11 -Loop time of 0.000515223 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1795 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1796 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1796 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1797 0.00066399574 3717 3.1500014e-11 -Loop time of 0.000683069 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1797 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1798 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1798 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1799 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1799 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1800 0.00056886673 3717 3.1500014e-11 -Loop time of 0.000588894 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1800 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1801 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1801 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1802 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1802 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1803 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1803 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1804 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1804 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1805 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1805 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1806 0.00049805641 3717 3.1500014e-11 -Loop time of 0.000505209 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1806 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1807 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1807 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1808 0.00075507164 3717 3.1500014e-11 -Loop time of 0.000764132 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1808 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1809 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1809 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1810 0.00061798096 3717 3.1500014e-11 -Loop time of 0.000626087 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1810 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1811 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1811 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1812 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1812 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1813 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1813 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1814 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1814 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1815 0.00059294701 3717 3.1500014e-11 -Loop time of 0.000601053 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1815 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1816 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1816 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1817 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1817 0 3717 3.1500014e-11 -ssurf = 3.714088e-03 -ssurf2 = 3.953970e-03 -ssurf3 = 4.170816e-03 - 1818 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1818 0 3717 3.1500014e-11 -number of iterations: 13 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1819 0.018137932 3717 3.1500014e-11 -Loop time of 0.018151 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1819 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1820 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000567198 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1820 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1821 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1821 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1822 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1822 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1823 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000584841 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1823 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1824 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1824 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1825 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1825 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1826 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1826 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1827 0.00064992905 3717 3.1500014e-11 -Loop time of 0.000660896 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1827 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1828 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1828 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1829 0.00082802773 3717 3.1500014e-11 -Loop time of 0.000845909 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1829 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1830 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1830 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1831 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1831 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1832 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1832 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1833 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1833 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1834 0.00050091743 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1834 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1835 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1835 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1836 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1836 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1837 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1837 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1838 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1838 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1839 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1839 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1840 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1840 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1841 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1841 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1842 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1842 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1843 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1843 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1844 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1844 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1845 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1845 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1846 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1846 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1847 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1847 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1848 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1848 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1849 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1849 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1850 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1850 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1851 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1851 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1852 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1852 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1853 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1853 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1854 0.00050377846 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1854 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1855 0.00049996376 3717 3.1500014e-11 -Loop time of 0.000507116 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1855 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1856 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1856 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1857 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1857 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1858 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1858 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1859 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1859 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1860 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1860 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1861 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1861 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1862 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1862 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1863 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1863 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1864 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1864 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1865 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1865 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1866 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1866 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1867 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1867 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1868 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1868 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1869 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1869 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1870 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1870 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1871 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1871 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1872 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1872 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1873 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1873 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1874 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1874 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1875 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1875 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1876 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1876 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1877 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1877 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1878 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1878 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1879 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1879 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1880 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1880 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1881 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1881 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1882 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1882 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1883 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1883 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1884 0.00050282478 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1884 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1885 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1885 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1886 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1886 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1887 0.00055980682 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1887 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1888 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1888 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1889 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1889 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1890 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1890 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1891 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1891 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1892 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1892 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1893 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1893 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1894 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1894 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1895 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1895 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1896 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1896 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1897 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1897 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1898 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1898 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1899 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1899 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1900 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1900 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1901 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1901 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1902 0.00066804886 3717 3.1500014e-11 -Loop time of 0.000676155 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1902 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1903 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1903 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1904 0.00058078766 3717 3.1500014e-11 -Loop time of 0.000588894 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1904 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1905 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1905 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1906 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1906 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1907 0.00051617622 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1907 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1908 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1908 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1909 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1909 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1910 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1910 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1911 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1911 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1912 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1912 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1913 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1913 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1914 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1914 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1915 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1915 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1916 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1916 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1917 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1917 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1918 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1918 0 3717 3.1500014e-11 -ssurf = 3.714099e-03 -ssurf2 = 3.953981e-03 -ssurf3 = 4.170826e-03 - 1919 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1919 0 3717 3.1500014e-11 -number of iterations: 7 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1920 0.0099132061 3717 3.1500014e-11 -Loop time of 0.00992203 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1920 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1921 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1921 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1922 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1922 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1923 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1923 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1924 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1924 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1925 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1925 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1926 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1926 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1927 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1927 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1928 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1928 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1929 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1929 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1930 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1930 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1931 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000513792 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1931 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1932 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1932 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1933 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1933 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1934 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000513792 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1934 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1935 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1935 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1936 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1936 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1937 0.00054121017 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1937 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1938 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1938 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1939 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1939 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1940 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1940 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1941 0.00052976608 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1941 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1942 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1942 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1943 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1943 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1944 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1944 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1945 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1945 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1946 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1946 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1947 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1947 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1948 0.00050878525 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1948 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1949 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1949 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1950 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1950 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1951 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1951 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1952 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1952 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1953 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1953 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1954 0.0005800724 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1954 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1955 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1955 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1956 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1956 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1957 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1957 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1958 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1958 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1959 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1959 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1960 0.00059890747 3717 3.1500014e-11 -Loop time of 0.00060606 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1960 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1961 0.00050091743 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1961 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1962 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1962 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1963 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1963 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1964 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1964 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1965 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1965 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1966 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1966 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1967 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1967 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1968 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1968 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1969 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1969 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1970 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1970 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1971 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1971 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1972 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1972 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1973 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1973 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1974 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1974 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1975 0.00061297417 3717 3.1500014e-11 -Loop time of 0.000620127 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1975 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1976 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1976 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1977 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1977 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1978 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1978 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1979 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1979 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1980 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1980 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1981 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1981 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1982 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1982 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1983 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1983 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1984 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1984 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1985 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1985 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1986 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1986 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1987 0.00055503845 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1987 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1988 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1988 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1989 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1989 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1990 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1990 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1991 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1991 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1992 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1992 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1993 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1993 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1994 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1994 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1995 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1995 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1996 0.00055980682 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1996 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1997 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1997 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1998 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1998 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 1999 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1999 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2000 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2000 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2001 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2001 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2002 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2002 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2003 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2003 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2004 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2004 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2005 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2005 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2006 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2006 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2007 0.00049781799 3717 3.1500014e-11 -Loop time of 0.000504971 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2007 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2008 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2008 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2009 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2009 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2010 0.00067400932 3717 3.1500014e-11 -Loop time of 0.000683069 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2010 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2011 0.00050711632 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2011 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2012 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2012 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2013 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2013 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2014 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2014 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2015 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2015 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2016 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2016 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2017 0.00066900253 3717 3.1500014e-11 -Loop time of 0.000680923 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2017 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2018 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2018 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2019 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2019 0 3717 3.1500014e-11 -ssurf = 3.714106e-03 -ssurf2 = 3.953987e-03 -ssurf3 = 4.170832e-03 - 2020 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2020 0 3717 3.1500014e-11 -number of iterations: 5 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2021 0.0077829361 3717 3.1500014e-11 -Loop time of 0.00779295 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2021 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2022 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2022 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2023 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2023 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2024 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2024 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2025 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2025 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2026 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2026 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2027 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2027 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2028 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2028 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2029 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2029 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2030 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2030 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2031 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2031 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2032 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2032 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2033 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2033 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2034 0.00050377846 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2034 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2035 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2035 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2036 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2036 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2037 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000588179 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2037 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2038 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2038 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2039 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -98.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2039 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2040 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2040 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2041 0.00067591667 3717 3.1500014e-11 -Loop time of 0.000684023 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2041 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2042 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2042 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2043 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2043 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2044 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2044 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2045 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2045 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2046 0.00066113472 3717 3.1500014e-11 -Loop time of 0.00067997 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2046 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2047 0.00052022934 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2047 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2048 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2048 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2049 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2049 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2050 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2050 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2051 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2051 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2052 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534773 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2052 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2053 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2053 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2054 0.00049901009 3717 3.1500014e-11 -Loop time of 0.000506163 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2054 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2055 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2055 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2056 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2056 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2057 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2057 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2058 0.00059390068 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2058 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2059 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2059 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2060 0.00058317184 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2060 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2061 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2061 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2062 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2062 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2063 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2063 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2064 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2064 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2065 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2065 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2066 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2066 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2067 0.00049805641 3717 3.1500014e-11 -Loop time of 0.000504971 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2067 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2068 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2068 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2069 0.00067591667 3717 3.1500014e-11 -Loop time of 0.000683784 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2069 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2070 0.0006070137 3717 3.1500014e-11 -Loop time of 0.00061512 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2070 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2071 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2071 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2072 0.00068020821 3717 3.1500014e-11 -Loop time of 0.000699043 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2072 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2073 0.00061392784 3717 3.1500014e-11 -Loop time of 0.000622034 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2073 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2074 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2074 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2075 0.00057506561 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2075 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2076 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2076 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2077 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2077 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2078 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2078 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2079 0.00063204765 3717 3.1500014e-11 -Loop time of 0.000640154 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2079 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2080 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2080 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2081 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2081 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2082 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2082 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2083 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2083 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2084 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2084 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2085 0.0005838871 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2085 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2086 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2086 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2087 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2087 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2088 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2088 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2089 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2089 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2090 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2090 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2091 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2091 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2092 0.00058317184 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2092 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2093 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2093 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2094 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2094 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2095 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2095 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2096 0.00049519539 3717 3.1500014e-11 -Loop time of 0.00050211 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2096 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2097 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2097 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2098 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2098 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2099 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2099 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2100 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2100 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2101 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2101 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2102 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2102 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2103 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2103 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2104 0.00055623055 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2104 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2105 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2105 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2106 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2106 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2107 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2107 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2108 0.00059294701 3717 3.1500014e-11 -Loop time of 0.000604868 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2108 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2109 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2109 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2110 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2110 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2111 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2111 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2112 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2112 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2113 0.0005698204 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2113 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2114 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2114 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2115 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2115 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2116 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2116 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2117 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2117 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2118 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2118 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2119 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2119 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2120 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2120 0 3717 3.1500014e-11 -ssurf = 3.714110e-03 -ssurf2 = 3.953991e-03 -ssurf3 = 4.170836e-03 - 2121 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2121 0 3717 3.1500014e-11 -number of iterations: 2 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2122 0.0035052299 3717 3.1500014e-11 -Loop time of 0.00351715 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2122 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2123 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2123 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2124 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2124 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2125 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2125 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2126 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516176 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2126 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2127 0.0005838871 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2127 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2128 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2128 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2129 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2129 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2130 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2130 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2131 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2131 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2132 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2132 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2133 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2133 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2134 0.00050115585 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2134 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2135 0.00052022934 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2135 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2136 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2136 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2137 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2137 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2138 0.00049805641 3717 3.1500014e-11 -Loop time of 0.000504971 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2138 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2139 0.00049901009 3717 3.1500014e-11 -Loop time of 0.000505924 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2139 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2140 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2140 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2141 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2141 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2142 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2142 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2143 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2143 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2144 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2144 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2145 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2145 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2146 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2146 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2147 0.00052118301 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2147 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2148 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2148 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2149 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2149 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2150 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2150 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2151 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2151 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2152 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2152 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2153 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -102.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2153 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2154 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2154 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2155 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2155 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2156 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2156 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2157 0.00052404404 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2157 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2158 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2158 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2159 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2159 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2160 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2160 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2161 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2161 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2162 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2162 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2163 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2163 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2164 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2164 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2165 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2165 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2166 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2166 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2167 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516176 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2167 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2168 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2168 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2169 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2169 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2170 0.00050377846 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2170 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2171 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2171 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2172 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2172 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2173 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2173 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2174 0.00059700012 3717 3.1500014e-11 -Loop time of 0.00061512 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2174 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2175 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2175 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2176 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2176 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2177 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2177 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2178 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2178 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2179 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2179 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2180 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2180 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2181 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2181 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2182 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2182 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2183 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2183 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2184 0.00050187111 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2184 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2185 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2185 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2186 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2186 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2187 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2187 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2188 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2188 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2189 0.00050187111 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2189 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2190 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2190 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2191 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2191 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2192 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2192 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2193 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2193 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2194 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2194 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2195 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2195 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2196 0.00050187111 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2196 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2197 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000594139 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2197 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2198 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2198 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2199 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000595093 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2199 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2200 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2200 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2201 0.00059390068 3717 3.1500014e-11 -Loop time of 0.000602961 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2201 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2202 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2202 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2203 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2203 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2204 0.00056004524 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2204 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2205 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2205 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2206 0.00061297417 3717 3.1500014e-11 -Loop time of 0.000622988 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2206 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2207 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2207 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2208 0.00051307678 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2208 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2209 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2209 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2210 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2210 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2211 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2211 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2212 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2212 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2213 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2213 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2214 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2214 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2215 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2215 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2216 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2216 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2217 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2217 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2218 0.0005710125 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2218 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2219 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2219 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2220 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2220 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2221 0.00051021576 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2221 0 3717 3.1500014e-11 -ssurf = 3.714112e-03 -ssurf2 = 3.953993e-03 -ssurf3 = 4.170838e-03 - 2222 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2222 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2223 0.0021870136 3717 3.1500014e-11 -Loop time of 0.00219607 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2223 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2224 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2224 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2225 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2225 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2226 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2226 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2227 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2227 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2228 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2228 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2229 0.00057888031 3717 3.1500014e-11 -Loop time of 0.000603914 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2229 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2230 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2230 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2231 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2231 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2232 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2232 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2233 0.00050592422 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2233 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2234 0.0005979538 3717 3.1500014e-11 -Loop time of 0.00060606 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2234 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2235 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2235 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2236 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2236 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2237 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2237 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2238 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2238 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2239 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2239 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2240 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2240 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2241 0.00050520897 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2241 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2242 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2242 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2243 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2243 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2244 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2244 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2245 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2245 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2246 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2246 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2247 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2247 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2248 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2248 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2249 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2249 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2250 0.00050377846 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2250 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2251 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2251 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2252 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2252 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2253 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2253 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2254 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2254 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2255 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2255 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2256 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2256 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2257 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2257 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2258 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2258 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2259 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2259 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2260 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2260 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2261 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2261 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2262 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2262 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2263 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2263 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2264 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2264 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2265 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000515223 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2265 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2266 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2266 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2267 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2267 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2268 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2268 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2269 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2269 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2270 0.00050878525 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2270 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2271 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2271 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2272 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2272 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2273 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2273 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2274 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2274 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2275 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2275 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2276 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2276 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2277 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2277 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2278 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2278 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2279 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000515223 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2279 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2280 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2280 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2281 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2281 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2282 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2282 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2283 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2283 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2284 0.00056505203 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2284 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2285 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2285 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2286 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2286 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2287 0.00064992905 3717 3.1500014e-11 -Loop time of 0.000659943 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2287 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2288 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2288 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2289 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2289 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2290 0.00051879883 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2290 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2291 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2291 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2292 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2292 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2293 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2293 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2294 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2294 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2295 0.00061106682 3717 3.1500014e-11 -Loop time of 0.000618219 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2295 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2296 0.0005068779 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2296 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2297 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2297 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2298 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2298 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2299 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2299 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2300 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2300 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2301 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2301 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2302 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2302 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2303 0.00049996376 3717 3.1500014e-11 -Loop time of 0.000507116 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2303 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2304 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2304 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2305 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2305 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2306 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2306 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2307 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2307 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2308 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2308 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2309 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2309 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2310 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2310 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2311 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2311 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2312 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2312 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2313 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2313 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2314 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2314 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2315 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2315 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2316 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2316 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2317 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2317 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2318 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000584841 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2318 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2319 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2319 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2320 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2320 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2321 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2321 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2322 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2322 0 3717 3.1500014e-11 -ssurf = 3.714113e-03 -ssurf2 = 3.953994e-03 -ssurf3 = 4.170839e-03 - 2323 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2323 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2324 0.0021519661 3717 3.1500014e-11 -Loop time of 0.00216198 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2324 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2325 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2325 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2326 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2326 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2327 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2327 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2328 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2328 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2329 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2329 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2330 0.00058794022 3717 3.1500014e-11 -Loop time of 0.000599146 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2330 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2331 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2331 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2332 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2332 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2333 0.00053477287 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2333 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2334 0.00056481361 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2334 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2335 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000578165 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2335 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2336 0.00057411194 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2336 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2337 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2337 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2338 0.00081992149 3717 3.1500014e-11 -Loop time of 0.000829935 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2338 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2339 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2339 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2340 0.00058913231 3717 3.1500014e-11 -Loop time of 0.0006001 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2340 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2341 0.0005838871 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2341 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2342 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2342 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2343 0.00057291985 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2343 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2344 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2344 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2345 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2345 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2346 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2346 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2347 0.00063204765 3717 3.1500014e-11 -Loop time of 0.000639915 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2347 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2348 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2348 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2349 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2349 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2350 0.00063896179 3717 3.1500014e-11 -Loop time of 0.000646114 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2350 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2351 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2351 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2352 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2352 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2353 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2353 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2354 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2354 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2355 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2355 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2356 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2356 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2357 0.0005068779 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2357 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2358 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2358 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2359 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2359 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2360 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2360 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2361 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2361 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2362 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2362 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2363 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2363 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2364 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000577211 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2364 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2365 0.00081396103 3717 3.1500014e-11 -Loop time of 0.000825882 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2365 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2366 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2366 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2367 0.00064897537 3717 3.1500014e-11 -Loop time of 0.000657082 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2367 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2368 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2368 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2369 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2369 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2370 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2370 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2371 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2371 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2372 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2372 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2373 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2373 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2374 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2374 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2375 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2375 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2376 0.00062084198 3717 3.1500014e-11 -Loop time of 0.000638008 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2376 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2377 0.00050377846 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2377 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2378 0.00051522255 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2378 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2379 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2379 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2380 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2380 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2381 0.00061011314 3717 3.1500014e-11 -Loop time of 0.000619173 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2381 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2382 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2382 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2383 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2383 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2384 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2384 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2385 0.00058412552 3717 3.1500014e-11 -Loop time of 0.000593185 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2385 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2386 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2386 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2387 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2387 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2388 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2388 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2389 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2389 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2390 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2390 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2391 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2391 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2392 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2392 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2393 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2393 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2394 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2394 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2395 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2395 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2396 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2396 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2397 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2397 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2398 0.00071597099 3717 3.1500014e-11 -Loop time of 0.000726938 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2398 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2399 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2399 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2400 0.0005979538 3717 3.1500014e-11 -Loop time of 0.000611782 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2400 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2401 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2401 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2402 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2402 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2403 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2403 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2404 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2404 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2405 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2405 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2406 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2406 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2407 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2407 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2408 0.00070309639 3717 3.1500014e-11 -Loop time of 0.000710964 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2408 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2409 0.00051808357 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2409 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2410 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2410 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2411 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2411 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2412 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2412 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2413 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2413 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2414 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2414 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2415 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2415 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2416 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2416 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2417 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2417 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2418 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2418 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2419 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2419 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2420 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2420 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2421 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2421 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2422 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2422 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2423 0.00049710274 3717 3.1500014e-11 -Loop time of 0.000504017 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2423 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953995e-03 -ssurf3 = 4.170840e-03 - 2424 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2424 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2425 0.0021338463 3717 3.1500014e-11 -Loop time of 0.00214386 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2425 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2426 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2426 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2427 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2427 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2428 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2428 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2429 0.00052404404 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2429 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2430 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2430 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2431 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2431 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2432 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2432 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2433 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2433 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2434 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2434 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2435 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2435 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2436 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2436 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2437 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2437 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2438 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2438 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2439 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2439 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2440 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2440 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2441 0.00055122375 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2441 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2442 0.00057220459 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2442 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2443 0.00063085556 3717 3.1500014e-11 -Loop time of 0.000638008 on 1 procs for 1 steps with 3717 atoms - -91.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2443 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2444 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2444 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2445 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2445 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2446 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2446 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2447 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2447 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2448 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2448 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2449 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2449 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2450 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2450 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2451 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2451 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2452 0.000674963 3717 3.1500014e-11 -Loop time of 0.000683069 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2452 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2453 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2453 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2454 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2454 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2455 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2455 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2456 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2456 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2457 0.00050520897 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2457 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2458 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2458 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2459 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2459 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2460 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2460 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2461 0.00050282478 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2461 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2462 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2462 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2463 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2463 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2464 0.00050592422 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2464 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2465 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2465 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2466 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2466 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2467 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2467 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2468 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2468 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2469 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2469 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2470 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2470 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2471 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2471 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2472 0.00052976608 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2472 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2473 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2473 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2474 0.00051903725 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2474 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2475 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2475 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2476 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2476 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2477 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2477 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2478 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2478 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2479 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2479 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2480 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2480 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2481 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2481 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2482 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2482 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2483 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2483 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2484 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2484 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2485 0.00050401688 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2485 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2486 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2486 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2487 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2487 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2488 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2488 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2489 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2489 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2490 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2490 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2491 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2491 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2492 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2492 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2493 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2493 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2494 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2494 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2495 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2495 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2496 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2496 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2497 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2497 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2498 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2498 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2499 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2499 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2500 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2500 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2501 0.00061702728 3717 3.1500014e-11 -Loop time of 0.000623941 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2501 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2502 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2502 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2503 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2503 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2504 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2504 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2505 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2505 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2506 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2506 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2507 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2507 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2508 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2508 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2509 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2509 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2510 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2510 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2511 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2511 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2512 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2512 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2513 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2513 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2514 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2514 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2515 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2515 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2516 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2516 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2517 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2517 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2518 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2518 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2519 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2519 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2520 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2520 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2521 0.00053191185 3717 3.1500014e-11 -Loop time of 0.00053978 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2521 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2522 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2522 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2523 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2523 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2524 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2524 0 3717 3.1500014e-11 -ssurf = 3.714114e-03 -ssurf2 = 3.953996e-03 -ssurf3 = 4.170841e-03 - 2525 0.00079107285 3717 3.1500014e-11 -Loop time of 0.000799179 on 1 procs for 1 steps with 3717 atoms - -70.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2525 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2526 0.0022912025 3717 3.1500014e-11 -Loop time of 0.00230002 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2526 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2527 0.00056385994 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2527 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2528 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -102.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2528 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2529 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2529 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2530 0.00064206123 3717 3.1500014e-11 -Loop time of 0.000651121 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2530 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2531 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2531 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2532 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2532 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2533 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2533 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2534 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2534 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2535 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2535 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2536 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2536 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2537 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2537 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2538 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2538 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2539 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2539 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2540 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2540 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2541 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2541 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2542 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2542 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2543 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2543 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2544 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2544 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2545 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2545 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2546 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2546 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2547 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2547 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2548 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2548 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2549 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2549 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2550 0.0005068779 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2550 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2551 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2551 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2552 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2552 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2553 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2553 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2554 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2554 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2555 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2555 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2556 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2556 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2557 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2557 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2558 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2558 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2559 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2559 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2560 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2560 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2561 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2561 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2562 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2562 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2563 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2563 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2564 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2564 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2565 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2565 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2566 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2566 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2567 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2567 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2568 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2568 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2569 0.00054788589 3717 3.1500014e-11 -Loop time of 0.0005548 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2569 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2570 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2570 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2571 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2571 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2572 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2572 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2573 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2573 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2574 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2574 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2575 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2575 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2576 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2576 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2577 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2577 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2578 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000574827 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2578 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2579 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2579 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2580 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2580 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2581 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2581 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2582 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2582 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2583 0.00051021576 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2583 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2584 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2584 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2585 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2585 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2586 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2586 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2587 0.00049591064 3717 3.1500014e-11 -Loop time of 0.000502825 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2587 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2588 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2588 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2589 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2589 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2590 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2590 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2591 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2591 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2592 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2592 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2593 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2593 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2594 0.00050282478 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2594 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2595 0.00076699257 3717 3.1500014e-11 -Loop time of 0.000780106 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2595 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2596 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2596 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2597 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2597 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2598 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2598 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2599 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2599 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2600 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2600 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2601 0.00068116188 3717 3.1500014e-11 -Loop time of 0.00068903 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2601 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2602 0.00058484077 3717 3.1500014e-11 -Loop time of 0.000594854 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2602 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2603 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2603 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2604 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2604 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2605 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2605 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2606 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2606 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2607 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2607 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2608 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2608 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2609 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2609 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2610 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2610 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2611 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2611 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2612 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2612 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2613 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2613 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2614 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2614 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2615 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2615 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2616 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2616 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2617 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2617 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2618 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2618 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2619 0.0005171299 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2619 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2620 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2620 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2621 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2621 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2622 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2622 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2623 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2623 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2624 0.00050520897 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2624 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2625 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2625 0 3717 3.1500014e-11 -ssurf = 3.714115e-03 -ssurf2 = 3.953997e-03 -ssurf3 = 4.170841e-03 - 2626 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2626 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2627 0.0022838116 3717 3.1500014e-11 -Loop time of 0.00229287 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2627 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2628 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2628 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2629 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2629 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2630 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2630 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2631 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2631 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2632 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2632 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2633 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2633 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2634 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2634 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2635 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2635 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2636 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2636 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2637 0.00050711632 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2637 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2638 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2638 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2639 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2639 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2640 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2640 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2641 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2641 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2642 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2642 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2643 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2643 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2644 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2644 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2645 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2645 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2646 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2646 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2647 0.00063610077 3717 3.1500014e-11 -Loop time of 0.000647068 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2647 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2648 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2648 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2649 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2649 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2650 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2650 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2651 0.00052404404 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2651 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2652 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2652 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2653 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2653 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2654 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2654 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2655 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2655 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2656 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2656 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2657 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2657 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2658 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2658 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2659 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2659 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2660 0.00065803528 3717 3.1500014e-11 -Loop time of 0.000668049 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2660 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2661 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2661 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2662 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2662 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2663 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000609159 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2663 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2664 0.00050711632 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2664 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2665 0.00062704086 3717 3.1500014e-11 -Loop time of 0.000637054 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2665 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2666 0.00062203407 3717 3.1500014e-11 -Loop time of 0.000633955 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2666 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2667 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2667 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2668 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2668 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2669 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2669 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2670 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2670 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2671 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2671 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2672 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2672 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2673 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2673 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2674 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2674 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2675 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2675 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2676 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2676 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2677 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2677 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2678 0.00050902367 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2678 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2679 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2679 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2680 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000598192 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2680 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2681 0.00054693222 3717 3.1500014e-11 -Loop time of 0.0005548 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2681 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2682 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520229 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2682 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2683 0.00061702728 3717 3.1500014e-11 -Loop time of 0.000625134 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2683 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2684 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2684 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2685 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2685 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2686 0.00066614151 3717 3.1500014e-11 -Loop time of 0.000674963 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2686 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2687 0.00058102608 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2687 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2688 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2688 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2689 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2689 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2690 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2690 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2691 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2691 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2692 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2692 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2693 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2693 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2694 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2694 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2695 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2695 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2696 0.00051617622 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2696 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2697 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2697 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2698 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2698 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2699 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2699 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2700 0.00053191185 3717 3.1500014e-11 -Loop time of 0.00053978 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2700 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2701 0.00069212914 3717 3.1500014e-11 -Loop time of 0.00070405 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2701 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2702 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2702 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2703 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2703 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2704 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2704 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2705 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2705 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2706 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2706 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2707 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2707 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2708 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2708 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2709 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2709 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2710 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2710 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2711 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2711 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2712 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2712 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2713 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2713 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2714 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2714 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2715 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2715 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2716 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2716 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2717 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2717 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2718 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2718 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2719 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2719 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2720 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2720 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2721 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2721 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2722 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2722 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2723 0.00066900253 3717 3.1500014e-11 -Loop time of 0.000680923 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2723 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2724 0.00051522255 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2724 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2725 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2725 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2726 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2726 0 3717 3.1500014e-11 -ssurf = 3.714116e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170842e-03 - 2727 0.00050520897 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2727 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2728 0.0022978783 3717 3.1500014e-11 -Loop time of 0.00230694 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2728 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2729 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2729 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2730 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2730 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2731 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2731 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2732 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2732 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2733 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2733 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2734 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2734 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2735 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2735 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2736 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2736 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2737 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2737 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2738 0.00063800812 3717 3.1500014e-11 -Loop time of 0.000645876 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2738 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2739 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2739 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2740 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2740 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2741 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2741 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2742 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2742 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2743 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2743 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2744 0.00050878525 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2744 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2745 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2745 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2746 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2746 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2747 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2747 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2748 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2748 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2749 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2749 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2750 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2750 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2751 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2751 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2752 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2752 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2753 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2753 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2754 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2754 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2755 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2755 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2756 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2756 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2757 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2757 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2758 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2758 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2759 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2759 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2760 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521183 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2760 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2761 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2761 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2762 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2762 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2763 0.00078105927 3717 3.1500014e-11 -Loop time of 0.000799894 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2763 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2764 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2764 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2765 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2765 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2766 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2766 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2767 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2767 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2768 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2768 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2769 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2769 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2770 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2770 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2771 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000511169 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2771 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2772 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2772 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2773 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2773 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2774 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2774 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2775 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2775 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2776 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2776 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2777 0.00050997734 3717 3.1500014e-11 -Loop time of 0.00051713 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2777 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2778 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2778 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2779 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2779 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2780 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2780 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2781 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2781 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2782 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2782 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2783 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2783 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2784 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2784 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2785 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2785 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2786 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2786 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2787 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2787 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2788 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2788 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2789 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2789 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2790 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2790 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2791 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2791 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2792 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2792 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2793 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2793 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2794 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2794 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2795 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2795 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2796 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2796 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2797 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2797 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2798 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2798 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2799 0.00051379204 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2799 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2800 0.00065207481 3717 3.1500014e-11 -Loop time of 0.000661135 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2800 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2801 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2801 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2802 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2802 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2803 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2803 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2804 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2804 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2805 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2805 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2806 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2806 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2807 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2807 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2808 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2808 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2809 0.0007250309 3717 3.1500014e-11 -Loop time of 0.000733137 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2809 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2810 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2810 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2811 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2811 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2812 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -102.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2812 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2813 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2813 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2814 0.00050592422 3717 3.1500014e-11 -Loop time of 0.000512838 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2814 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2815 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2815 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2816 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2816 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2817 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2817 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2818 0.00072193146 3717 3.1500014e-11 -Loop time of 0.000729084 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2818 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2819 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2819 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2820 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2820 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2821 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2821 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2822 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000516176 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2822 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2823 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2823 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2824 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2824 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2825 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2825 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2826 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2826 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2827 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2827 0 3717 3.1500014e-11 -ssurf = 3.714117e-03 -ssurf2 = 3.953998e-03 -ssurf3 = 4.170843e-03 - 2828 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2828 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2829 0.0021560192 3717 3.1500014e-11 -Loop time of 0.00216699 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2829 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2830 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2830 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2831 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2831 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2832 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2832 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2833 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509024 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2833 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2834 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2834 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2835 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2835 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2836 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2836 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2837 0.00062084198 3717 3.1500014e-11 -Loop time of 0.000629902 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2837 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2838 0.0007789135 3717 3.1500014e-11 -Loop time of 0.000788927 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2838 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2839 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2839 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2840 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2840 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2841 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2841 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2842 0.00059485435 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2842 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2843 0.00057721138 3717 3.1500014e-11 -Loop time of 0.000589132 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2843 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2844 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2844 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2845 0.00056195259 3717 3.1500014e-11 -Loop time of 0.00056982 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2845 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2846 0.00060796738 3717 3.1500014e-11 -Loop time of 0.000615835 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2846 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2847 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2847 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2848 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2848 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2849 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2849 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2850 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2850 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2851 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2851 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2852 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2852 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2853 0.00052404404 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2853 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2854 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2854 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2855 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2855 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2856 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2856 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2857 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2857 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2858 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2858 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2859 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2859 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2860 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2860 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2861 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2861 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2862 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2862 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2863 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2863 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2864 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2864 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2865 0.00055480003 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2865 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2866 0.00078892708 3717 3.1500014e-11 -Loop time of 0.000798941 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2866 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2867 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000521898 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2867 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2868 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2868 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2869 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2869 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2870 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2870 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2871 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2871 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2872 0.00077700615 3717 3.1500014e-11 -Loop time of 0.00078702 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2872 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2873 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2873 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2874 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2874 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2875 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2875 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2876 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2876 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2877 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2877 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2878 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2878 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2879 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2879 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2880 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2880 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2881 0.00071787834 3717 3.1500014e-11 -Loop time of 0.000727892 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2881 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2882 0.0005068779 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2882 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2883 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2883 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2884 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2884 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2885 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -98.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2885 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2886 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2886 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2887 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2887 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2888 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2888 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2889 0.0005068779 3717 3.1500014e-11 -Loop time of 0.00051403 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2889 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2890 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2890 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2891 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2891 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2892 0.00050401688 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2892 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2893 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2893 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2894 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2894 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2895 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2895 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2896 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2896 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2897 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2897 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2898 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2898 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2899 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2899 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2900 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2900 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2901 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2901 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2902 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2902 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2903 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2903 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2904 0.00060391426 3717 3.1500014e-11 -Loop time of 0.00061512 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2904 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2905 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2905 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2906 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536203 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2906 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2907 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2907 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2908 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2908 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2909 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2909 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2910 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2910 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2911 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2911 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2912 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2912 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2913 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2913 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2914 0.00050806999 3717 3.1500014e-11 -Loop time of 0.000515223 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2914 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2915 0.00051522255 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2915 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2916 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2916 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2917 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2917 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2918 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2918 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2919 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2919 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2920 0.00055480003 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2920 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2921 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2921 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2922 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2922 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2923 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2923 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2924 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2924 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2925 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2925 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2926 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2926 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2927 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2927 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2928 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2928 0 3717 3.1500014e-11 -ssurf = 3.714118e-03 -ssurf2 = 3.953999e-03 -ssurf3 = 4.170844e-03 - 2929 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2929 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2930 0.0021650791 3717 3.1500014e-11 -Loop time of 0.00218606 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2930 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2931 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2931 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2932 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2932 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2933 0.00065898895 3717 3.1500014e-11 -Loop time of 0.000669003 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2933 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2934 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2934 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2935 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2935 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2936 0.00051116943 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2936 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2937 0.00078201294 3717 3.1500014e-11 -Loop time of 0.00079608 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2937 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2938 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2938 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2939 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2939 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2940 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2940 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2941 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2941 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2942 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2942 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2943 0.00050377846 3717 3.1500014e-11 -Loop time of 0.000510931 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2943 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2944 0.0005569458 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2944 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2945 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2945 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2946 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2946 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2947 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2947 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2948 0.00050902367 3717 3.1500014e-11 -Loop time of 0.000515938 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2948 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2949 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2949 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2950 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2950 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2951 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2951 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2952 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2952 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2953 0.0005030632 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2953 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2954 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2954 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2955 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2955 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2956 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2956 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2957 0.00068283081 3717 3.1500014e-11 -Loop time of 0.000693798 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2957 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2958 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2958 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2959 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2959 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2960 0.00050520897 3717 3.1500014e-11 -Loop time of 0.000512123 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2960 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2961 0.00050115585 3717 3.1500014e-11 -Loop time of 0.00050807 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2961 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2962 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2962 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2963 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2963 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2964 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2964 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2965 0.00053310394 3717 3.1500014e-11 -Loop time of 0.00054121 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2965 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2966 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2966 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2967 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2967 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2968 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2968 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2969 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2969 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2970 0.00058078766 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2970 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2971 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2971 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2972 0.00059294701 3717 3.1500014e-11 -Loop time of 0.000605106 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2972 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2973 0.00050878525 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2973 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2974 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2974 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2975 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2975 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2976 0.00064897537 3717 3.1500014e-11 -Loop time of 0.000656843 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2976 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2977 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2977 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2978 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2978 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2979 0.00050210953 3717 3.1500014e-11 -Loop time of 0.000509977 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2979 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2980 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2980 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2981 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2981 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2982 0.00050091743 3717 3.1500014e-11 -Loop time of 0.000507832 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2982 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2983 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2983 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2984 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2984 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2985 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2985 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2986 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2986 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2987 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2987 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2988 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2988 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2989 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2989 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2990 0.00050711632 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2990 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2991 0.00051617622 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2991 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2992 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2992 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2993 0.00050616264 3717 3.1500014e-11 -Loop time of 0.000513077 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2993 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2994 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2994 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2995 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2995 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2996 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2996 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2997 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2997 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2998 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2998 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 2999 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2999 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3000 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3000 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3001 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3001 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3002 0.00051283836 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3002 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3003 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3003 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3004 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3004 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3005 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3005 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3006 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3006 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3007 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3007 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3008 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3008 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3009 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3009 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3010 0.00050783157 3717 3.1500014e-11 -Loop time of 0.000514984 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3010 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3011 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3011 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3012 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3012 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3013 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3013 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3014 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3014 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3015 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3015 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3016 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3016 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3017 0.00051617622 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3017 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3018 0.00051617622 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3018 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3019 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3019 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3020 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3020 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3021 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3021 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3022 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3022 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3023 0.00050497055 3717 3.1500014e-11 -Loop time of 0.000511885 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3023 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3024 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3024 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3025 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3025 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3026 0.00051617622 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3026 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3027 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000523806 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3027 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3028 0.00050091743 3717 3.1500014e-11 -Loop time of 0.000507832 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3028 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3029 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3029 0 3717 3.1500014e-11 -ssurf = 3.714119e-03 -ssurf2 = 3.954000e-03 -ssurf3 = 4.170845e-03 - 3030 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -98.3% CPU use with 1 MPI tasks x no OpenMP threads -Total wall time: 2:41:11 diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/controlDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/controlDict deleted file mode 100644 index c16892844..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/controlDict +++ /dev/null @@ -1,55 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom startTime; - -startTime 0; - -stopAt endTime; - -endTime 0.01; - -deltaT 0.0001; - -writeControl runTime; - -writeInterval 0.005; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/controlDiffDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/controlDiffDict deleted file mode 100644 index bcd38160b..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/controlDiffDict +++ /dev/null @@ -1,87 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom latestTime; - -startTime 0; - -stopAt endTime; - -endTime 30; - -deltaT 0.001; - -writeControl runTime; - -writeInterval 0.5; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -functions -{ - probes - { - type probes; - functionObjectLibs ("libsampling.so"); - outputControl timeStep; - outputInterval 1; - probeLocations - ( - (0.02 0.002 0.003) - (0.02 0.16 0.003) - (0.01 0.002 0.003) - (0.01 0.16 0.003) - (0.002 0.002 0.003) - (0.002 0.16 0.003) - (0.002 0.04 0.003) - (0.038 0.002 0.003) - (0.038 0.04 0.003) - (0.03 0.002 0.003) - (0.03 0.04 0.003) - ); - fields - ( - p - Ub - ); - } - -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/decomposeParDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/decomposeParDict deleted file mode 100644 index 5a9285d12..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/decomposeParDict +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 1; - -method simple; - -simpleCoeffs -{ - n (1 1 1); - delta 0.001; -} - -hierarchicalCoeffs -{ - n (1 1 1); - delta 0.001; - order xyz; -} - -metisCoeffs -{ -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/fvSchemes b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/fvSchemes deleted file mode 100644 index 72f613d59..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/fvSchemes +++ /dev/null @@ -1,77 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSchemes; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; -} - -divSchemes -{ - default none; - div(phia,Ua) Gauss limitedLinearV 1; - div(phib,Ub) Gauss limitedLinearV 1; - div(phib,k) Gauss limitedLinear 1; - div(phib,epsilon) Gauss limitedLinear 1; - div(phi,alpha) Gauss limitedLinear01 1; - div((-nuEffa*grad(Ua).T())) Gauss linear; - div((-nuEffb*grad(Ub).T())) Gauss linear; - div(((beta*nuEff)*dev2(T(grad(Ub))))) Gauss linear; -} - -laplacianSchemes -{ - default none; - laplacian(nuEffa,Ua) Gauss linear corrected; - laplacian(nuEffb,Ub) Gauss linear corrected; - laplacian((rho*(1|A(U))),p) Gauss linear corrected; - laplacian(1,alpha) Gauss linear corrected; - laplacian(DT,tempDiffScalar) Gauss linear corrected; - laplacian(DT,tempDiffVector) Gauss linear corrected; - laplacian((beta*nuEff),Ub) Gauss linear corrected; -} - -interpolationSchemes -{ - default linear; -} - -snGradSchemes -{ - default corrected; -} - -fluxRequired -{ - default no; - p; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/fvSolution b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/fvSolution deleted file mode 100644 index 9ea78fdc3..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f1/system/fvSolution +++ /dev/null @@ -1,123 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSolution; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -solvers -{ -p -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -Ua -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -Ub -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -alpha -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -tempDiffScalar -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -tempDiffVector -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -beta -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -k -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -epsilon -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -} - -PISO -{ - nCorrectors 2; - nNonOrthogonalCorrectors 0; - nAlphaCorr 2; - correctAlpha no; - pRefCell 0; - pRefValue 0; -} - -SIMPLE -{ - nNonOrthogonalCorrectors 0; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/Ub b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/Ub deleted file mode 100644 index 65923a0f4..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/Ub +++ /dev/null @@ -1,71 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ub; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - type fixedValue; - value uniform (0 0 0); - } - - top - { - type fixedValue; - value uniform (0.001 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/alpha b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/alpha deleted file mode 100644 index b80b4ed81..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/alpha +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object alpha; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/epsilon b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/epsilon deleted file mode 100644 index d35aad5f4..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/epsilon +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object epsilon; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.1; - -boundaryField -{ - top - { - type fixedValue; - value uniform 0.1; - } - - bottom - { - type inletOutlet; - inletValue uniform 0.1; - value uniform 0.1; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/k b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/k deleted file mode 100644 index de84af62c..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/k +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object k; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 1e-8; - -boundaryField -{ - top - { - type fixedValue; - value uniform 1e-8; - } - - bottom - { - type inletOutlet; - inletValue uniform 1e-8; - value uniform 1e-8; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/nut b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/nut deleted file mode 100644 index 2ec671ca4..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/nut +++ /dev/null @@ -1,78 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object nut; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type calculated; - value uniform 0.0; - } - - bottom - { - type calculated; - value uniform 0.0; - } - - right - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - - left - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/p b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/p deleted file mode 100644 index 8e8c9a143..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/0/p +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object p; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/Allclean.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/Allclean.sh deleted file mode 100755 index fad662ab8..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/Allclean.sh +++ /dev/null @@ -1,14 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -cd constant/polyMesh -rm -rf boundary points faces neighbour owner -cd ../.. -rm -rf data/singleParticle.dat -rm -rf data/*.pdf -rm -rf processor* -rm -rf *[1-9]* -rm -rf probes -rm -rf sets -rm log.* -rm snapshot.* diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/Allrun.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/Allrun.sh deleted file mode 100755 index 6de27ec40..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/Allrun.sh +++ /dev/null @@ -1,11 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -./Allclean.sh - -f21x - -blockMesh -lammpsFoam - -./postprocessing.py diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/AllrunParallel.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/AllrunParallel.sh deleted file mode 100755 index 11d734a5c..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/AllrunParallel.sh +++ /dev/null @@ -1,3 +0,0 @@ -blockMesh > log.blockMesh -decomposePar > log.decomposePar -mpirun -np 2 lammpsFoam -parallel > log.parallel diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/atom.in b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/atom.in deleted file mode 100644 index f5bf6121d..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/atom.in +++ /dev/null @@ -1,55 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 1 atom types - 5 nutrients - - 0.000000e-04 1.6e-03 xlo xhi - 0.000000e-04 0.03e-3 ylo yhi - 0.000000e-04 0.38e-3 zlo zhi - - Atoms - - #1 1 1.0e-6 150 8.5e-5 1.5e-5 5e-6 1.0e-6 - - Type Name - - 1 het - - Nutrients - - 1 sub l dn nn nn 0.005 0.005 - 2 o2 l dn nn nn 1e-4 1e-4 - 3 no2 l dn nn nn 8e-4 8e-4 - 4 no3 l dn nn nn 8e-4 8e-4 - 5 nh4 l dn nn nn 9e-4 9e-4 - - Diffusion Coeffs - - sub 1.1574e-9 - o2 0 - no2 0 - no3 0 - nh4 0 - - Ks - - het 0.004 0 0 0 0 - - Growth Rate - - het 0.000068056 - - Yield - - het 0.63 - - Maintenance - - het 0 - - Decay - - het 0 - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/cloudProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/cloudProperties deleted file mode 100644 index fad889740..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/cloudProperties +++ /dev/null @@ -1,46 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.0 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object sprayProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -interpolationSchemes -{ - U cellPointFace; -} - -g (0 0 0); - -dragModel SyamlalOBrien; -subCycles 1; -diffusionBandWidth 2e-4; -//maxPossibleAlpha 0.8; - -particleDrag 1; -particlePressureGrad 1; -particleAddedMass 1; -lubricationForce 1; -particleLift 1; -particleHistoryForce 0; - - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/environmentalProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/environmentalProperties deleted file mode 100644 index cc7446508..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/environmentalProperties +++ /dev/null @@ -1,28 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object environmentalProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -g g [0 1 -2 0 0 0 0] (0 0 0); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/polyMesh/blockMeshDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/polyMesh/blockMeshDict deleted file mode 100644 index 100f8489d..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,113 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0016 0.00 0.0) - (0.0016 0.00003 0.0) - (0.00 0.00003 0.0) - (0.00 0.00 0.00038) - (0.0016 0.00 0.00038) - (0.0016 0.00003 0.00038) - (0.00 0.00003 0.00038) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (160 3 38) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/transportProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/transportProperties deleted file mode 100644 index dea3eb037..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/transportProperties +++ /dev/null @@ -1,52 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object transportProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -rhoa rhoa [1 -3 0 0 0 0 0] 1000; // density of the particle - -rhob rhob [1 -3 0 0 0 0 0] 1000; // density of the carrier - -nua nua [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the particle (defined but not used) - -nub nub [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the carrier - -da da [0 1 0 0 0 0 0] 1e-5; // diameter of the particle - -// db db [0 1 0 0 0 0 0] 0.1; // not using - -Cvm Cvm [0 0 0 0 0 0 0] 0.0; // some coefficient for UEqn (taken as zero) - -Cl Cl [0 0 0 0 0 0 0] 0; // lift coefficient (taken as zero) - -Ct Ct [0 0 0 0 0 0 0] 1; // some coefficient used in the turbulence (defined but not used) - -continousPhaseName water; - -rho.water 1; - -transportModel Newtonian; - -nu 1e-6; - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/turbulenceProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/turbulenceProperties deleted file mode 100644 index 3637150f2..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/constant/turbulenceProperties +++ /dev/null @@ -1,62 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object turbulenceProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -turbulenceModel laminar; - -turbulence off; - -laminarCoeffs -{ -} - -kEpsilonCoeffs -{ - Cmu Cmu [0 0 0 0 0 0 0] 0.09; - C1 C1 [0 0 0 0 0 0 0] 1.44; - C2 C2 [0 0 0 0 0 0 0] 1.92; - alphak alphak [0 0 0 0 0 0 0] 1; - alphaEps alphaEps [0 0 0 0 0 0 0] 0.76923; -} - -wallFunctionCoeffs -{ - kappa kappa [0 0 0 0 0 0 0] 0.4187; - E E [0 0 0 0 0 0 0] 9; -} - -simulationType LES; -LES -{ - LESModel Smagorinsky; - turbulence on; - printCoeffs on; - delta cubeRootVol; - - cubeRootVolCoeffs - { - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/in.lammps b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/in.lammps deleted file mode 100644 index b08fcb5d5..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/in.lammps +++ /dev/null @@ -1,95 +0,0 @@ -# NUFEB simulation - -atom_style bio -atom_modify map array sort 1000 5e-7 -boundary pp pp pp -newton off -processors * * 1 - -units si - -comm_modify vel yes -read_data_bio atom.in - -group HET type 1 - -variable x equal 177 -variable y equal 3 -variable z equal 7 - -lattice sc 9e-6 origin 0.5 0.5 0.5 - -region reg block 0 $x 0 $y 0 $z - -variable xx internal 0.0 -variable zz internal 0.0 -variable v equal "(0.29*v_z*zlat * cos(v_xx/xlat * 4.7*PI*4.0/v_x) + 0.90*v_z*zlat - v_zz) > 0.0" - -#create_atoms 1 region reg var v set x xx set z zz -create_atoms 1 region reg - -neighbor 5e-7 bin - -set type 1 density 28.9 -set type 1 diameter 9e-6 -set type 1 mass 0.847458e-14 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -reset_timestep 0 - -timestep 1e-7 - -#fix 1 all nve/limit 1e-7 -#fix fv all viscous 1e-5 - -#fix zw all wall/gran hooke/history 5000 NULL 500.0 NULL 1.5 0 zplane 0.000000e-04 4e-4 - -variable kanc equal 50 - -#fix zwa all walladh v_kanc zplane 0.000000e-04 4e-4 - -variable ke equal 5e+10 - -variable pfx equal 0.0 -variable pfy equal 0.0 -variable pfz equal 0.0 - -fix 3 all fdrag v_pfx v_pfy v_pfz - -##############Define IBm Variables############## - -#variables used in fix monod -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix kinetics -variable diffT equal 1e-4 -variable tol equal 5e-7 -variable etaHET equal 0 -variable layer equal -1 - -#Defining nufebFoam variables -variable bioSteps equal 1 -variable bioDt equal 60 -variable nloops equal 30 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 160 3 38 v_diffT v_layer niter -1 -fix kgm all kinetics/growth/monod epsdens 30 etahet 0.0 gflag 0 -fix g1 all kinetics/diffusion v_tol -fix cfd1 all sedifoam v_bioSteps v_bioDt v_nloops -fix vf1 all verify 1 bm2 1 demflag 0 - -##############Simulation Output############## - -#dump id all custom 1 snapshot.bubblemd id type diameter x y z -#dump du2 all grid 1000 grid_%_*.vti con -thermo_style custom step cpu atoms biomass -thermo 10 -thermo_modify lost warn - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/result b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/result deleted file mode 100644 index da8c4a366..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/result +++ /dev/null @@ -1,30559 +0,0 @@ -LAMMPS (5 Nov 2016) -# NUFEB simulation - - - -atom_style bio - -atom_modify map array sort 1000 5e-7 - -boundary pp pp pp - -newton off - -processors * * 1 - - - -units si - - - -comm_modify vel yes - -read_data_bio atom.in - - orthogonal box = (0 0 0) to (0.0016 3e-05 0.00038) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 0 atoms - 5 nutrients - - -group HET type 1 - -0 atoms in group HET - - -variable x equal 177 - -variable y equal 3 - -variable z equal 7 - - - -lattice sc 9e-6 origin 0.5 0.5 0.5 - -Lattice spacing in x,y,z = 9e-06 9e-06 9e-06 - - -region reg block 0 $x 0 $y 0 $z - -region reg block 0 177 0 $y 0 $z - -region reg block 0 177 0 3 0 $z - -region reg block 0 177 0 3 0 7 - - - -variable xx internal 0.0 - -variable zz internal 0.0 - -variable v equal "(0.29*v_z*zlat * cos(v_xx/xlat * 4.7*PI*4.0/v_x) + 0.90*v_z*zlat - v_zz) > 0.0" - - - -#create_atoms 1 region reg var v set x xx set z zz - -create_atoms 1 region reg - -Created 3717 atoms - - -neighbor 5e-7 bin - - - -set type 1 density 28.9 - - 3717 settings made for density -set type 1 diameter 9e-6 - - 3717 settings made for diameter -set type 1 mass 0.847458e-14 - - 3717 settings made for mass - - -##############Define DEM Variables&Commands############## - - - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 - -pair_coeff * * - - - -reset_timestep 0 - - - -timestep 1e-7 - - - -#fix 1 all nve/limit 1e-7 - -#fix fv all viscous 1e-5 - - - -#fix zw all wall/gran hooke/history 5000 NULL 500.0 NULL 1.5 0 zplane 0.000000e-04 4e-4 - - - -variable kanc equal 50 - - - -#fix zwa all walladh v_kanc zplane 0.000000e-04 4e-4 - - - -variable ke equal 5e+10 - - - -variable pfx equal 0.0 - -variable pfy equal 0.0 - -variable pfz equal 0.0 - - - -fix 3 all fdrag v_pfx v_pfy v_pfz - - - -##############Define IBm Variables############## - - - -#variables used in fix monod - -variable EPSdens equal 30 - -variable EPSratio equal 1.25 - - - -#variables used in fix kinetics - -variable diffT equal 1e-4 - -variable tol equal 5e-7 - -variable etaHET equal 0 - -variable layer equal -1 - - - -#Defining nufebFoam variables - -variable demSteps equal 1 - -variable bioSteps equal 1 - -variable bioDt equal 60 - -variable nloops equal 30 - - - -##############Define IBm Commands############## - - - -fix k1 all kinetics 1 160 3 38 v_diffT v_layer niter -1 - -fix kgm all kinetics/growth/monod v_EPSdens v_etaHET gflag 0 - -fix g1 all kinetics/diffusion v_tol dn nn nn kg - - - -fix cfd1 all nufebFoam v_demSteps v_bioSteps v_bioDt v_nloops - -fix vf1 all verify 1 bm2 1 demflag 0 - - - -##############Simulation Output############## - - - -#dump id all custom 1 snapshot.bubblemd id type diameter x y z - -#dump du2 all grid 1000 grid_%_*.vti con - -thermo_style custom step cpu atoms biomass - -thermo 10 - -thermo_modify lost warn - - - -run 0 pre no post no -WARNING: EPS is not defined in fix_kinetics/kinetics/monod (../fix_bio_kinetics_monod.cpp:253) -ae = 1.000000e+00, top = 6.300000e-05, base = 6.300000e-05, ave_h = 5.850000e-05 -Neighbor list info ... - 2 neighbor list requests - update every 1 steps, delay 10 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 9.5e-06 - ghost atom cutoff = 9.5e-06 - binsize = 4.75e-06 -> bins = 337 7 80 -Memory usage per processor = 9.27126 Mbytes -Step CPU Atoms biomass - 0 0 3717 3.1500014e-11 -Loop time of 2.14577e-06 on 1 procs for 0 steps with 3717 atoms - -139.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 0 0 3717 3.1500014e-11 -number of iterations: 3698747 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 1 4806.0252 3717 3.1500014e-11 -Loop time of 4806.03 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 2 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 3 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000536203 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 4 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 4 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 5 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 5 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 6 0.0005068779 3717 3.1500014e-11 -Loop time of 0.000517845 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 6 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 7 0.00060391426 3717 3.1500014e-11 -Loop time of 0.000611782 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 7 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 8 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 8 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 9 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 9 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 10 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 10 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 11 0.0006210804 3717 3.1500014e-11 -Loop time of 0.000631094 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 11 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 12 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 12 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 13 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 13 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 14 0.00061011314 3717 3.1500014e-11 -Loop time of 0.000622034 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 14 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 15 0.00070405006 3717 3.1500014e-11 -Loop time of 0.00071311 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 15 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 16 0.000633955 3717 3.1500014e-11 -Loop time of 0.000643969 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 16 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 17 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 17 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 18 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 18 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 19 0.00057792664 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 19 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 20 0.0006070137 3717 3.1500014e-11 -Loop time of 0.000617027 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 20 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 21 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 21 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 22 0.00056481361 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 22 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 23 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 23 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 24 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 24 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 25 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 25 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 26 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 26 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 27 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 27 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 28 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 28 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 29 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 29 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 30 0.00067400932 3717 3.1500014e-11 -Loop time of 0.000687122 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 30 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 31 0.00057196617 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 31 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 32 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 32 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 33 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 33 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 34 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 34 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 35 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 35 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 36 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 36 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 37 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 37 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 38 0.0007250309 3717 3.1500014e-11 -Loop time of 0.00074482 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 38 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 39 0.00079607964 3717 3.1500014e-11 -Loop time of 0.000808001 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 39 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 40 0.00088977814 3717 3.1500014e-11 -Loop time of 0.000900984 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 40 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 41 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 41 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 42 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 42 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 43 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 43 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 44 0.00084400177 3717 3.1500014e-11 -Loop time of 0.000855923 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 44 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 45 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 45 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 46 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 46 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 47 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 47 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 48 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 48 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 49 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 49 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 50 0.00066995621 3717 3.1500014e-11 -Loop time of 0.000679016 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 50 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 51 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 51 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 52 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 52 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 53 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 53 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 54 0.00061702728 3717 3.1500014e-11 -Loop time of 0.000626087 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 54 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 55 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 55 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 56 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000577211 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 56 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 57 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 57 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 58 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 58 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 59 0.00065302849 3717 3.1500014e-11 -Loop time of 0.00066185 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 59 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 60 0.00099396706 3717 3.1500014e-11 -Loop time of 0.00100303 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 60 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 61 0.0006301403 3717 3.1500014e-11 -Loop time of 0.000651121 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 61 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 62 0.00066709518 3717 3.1500014e-11 -Loop time of 0.000677109 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 62 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 63 0.00070095062 3717 3.1500014e-11 -Loop time of 0.000710964 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 63 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 64 0.00067710876 3717 3.1500014e-11 -Loop time of 0.000688076 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 64 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 65 0.00074696541 3717 3.1500014e-11 -Loop time of 0.000760078 on 1 procs for 1 steps with 3717 atoms - -101.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 65 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 66 0.00070309639 3717 3.1500014e-11 -Loop time of 0.000711918 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 66 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 67 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 67 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 68 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 68 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 69 0.00068116188 3717 3.1500014e-11 -Loop time of 0.000701189 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 69 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 70 0.00066900253 3717 3.1500014e-11 -Loop time of 0.00067687 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 70 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 71 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 71 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 72 0.00065207481 3717 3.1500014e-11 -Loop time of 0.000659943 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 72 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 73 0.0006210804 3717 3.1500014e-11 -Loop time of 0.000638962 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 73 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 74 0.00061106682 3717 3.1500014e-11 -Loop time of 0.000620127 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 74 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 75 0.000852108 3717 3.1500014e-11 -Loop time of 0.000866175 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 75 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 76 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000575781 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 76 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 77 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 77 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 78 0.00071001053 3717 3.1500014e-11 -Loop time of 0.000718832 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 78 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 79 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 79 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 80 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 80 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 81 0.00072216988 3717 3.1500014e-11 -Loop time of 0.000733137 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 81 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 82 0.00060796738 3717 3.1500014e-11 -Loop time of 0.000619888 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 82 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 83 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 83 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 84 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 84 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 85 0.00067591667 3717 3.1500014e-11 -Loop time of 0.00068593 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 85 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 86 0.00058317184 3717 3.1500014e-11 -Loop time of 0.000593185 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 86 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 87 0.0006108284 3717 3.1500014e-11 -Loop time of 0.000622034 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 87 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 88 0.00061392784 3717 3.1500014e-11 -Loop time of 0.000622034 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 88 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 89 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 89 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 90 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 90 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 91 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 91 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 92 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 92 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 93 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 93 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 94 0.00053977966 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 94 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 95 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 95 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 96 0.00056791306 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 96 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 97 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 97 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 98 0.00065207481 3717 3.1500014e-11 -Loop time of 0.000664949 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 98 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 99 0.0005800724 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 99 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 100 0.0011909008 3717 3.1500014e-11 -Loop time of 0.00120902 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 100 0 3717 3.1500014e-11 -ssurf = 5.491231e-04 -ssurf2 = 5.806404e-04 -ssurf3 = 6.102446e-04 - 101 0.00062608719 3717 3.1500014e-11 -Loop time of 0.000644922 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 101 0 3717 3.1500014e-11 -number of iterations: 373067 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 102 512.1204 3717 3.1500014e-11 -Loop time of 512.12 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 102 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 103 0.00087499619 3717 3.1500014e-11 -Loop time of 0.000886917 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 103 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 104 0.00072216988 3717 3.1500014e-11 -Loop time of 0.000734091 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 104 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 105 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 105 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 106 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 106 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 107 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 107 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 108 0.00060486794 3717 3.1500014e-11 -Loop time of 0.000613928 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 108 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 109 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 109 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 110 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 110 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 111 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 111 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 112 0.00056600571 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 112 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 113 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 113 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 114 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -102.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 114 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 115 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 115 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 116 0.00060105324 3717 3.1500014e-11 -Loop time of 0.000610828 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 116 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 117 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 117 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 118 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 118 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 119 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 119 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 120 0.00073814392 3717 3.1500014e-11 -Loop time of 0.000748158 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 120 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 121 0.00087714195 3717 3.1500014e-11 -Loop time of 0.000887156 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 121 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 122 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 122 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 123 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 123 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 124 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 124 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 125 0.00076794624 3717 3.1500014e-11 -Loop time of 0.000788927 on 1 procs for 1 steps with 3717 atoms - -101.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 125 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 126 0.00071406364 3717 3.1500014e-11 -Loop time of 0.000724077 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 126 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 127 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 127 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 128 0.00078105927 3717 3.1500014e-11 -Loop time of 0.000791073 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 128 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 129 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 129 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 130 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 130 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 131 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 131 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 132 0.00064206123 3717 3.1500014e-11 -Loop time of 0.000652075 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 132 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 133 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 133 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 134 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 134 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 135 0.00063109398 3717 3.1500014e-11 -Loop time of 0.000639915 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 135 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 136 0.00072979927 3717 3.1500014e-11 -Loop time of 0.000738859 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 136 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 137 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 137 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 138 0.00058889389 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 138 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 139 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 139 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 140 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 140 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 141 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 141 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 142 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 142 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 143 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 143 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 144 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 144 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 145 0.00072097778 3717 3.1500014e-11 -Loop time of 0.000731945 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 145 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 146 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 146 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 147 0.00060319901 3717 3.1500014e-11 -Loop time of 0.00061512 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 147 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 148 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 148 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 149 0.0006248951 3717 3.1500014e-11 -Loop time of 0.000634909 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 149 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 150 0.00064897537 3717 3.1500014e-11 -Loop time of 0.000661135 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 150 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 151 0.00072193146 3717 3.1500014e-11 -Loop time of 0.000743866 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 151 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 152 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 152 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 153 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 153 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 154 0.00062012672 3717 3.1500014e-11 -Loop time of 0.000632048 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 154 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 155 0.00072479248 3717 3.1500014e-11 -Loop time of 0.000733852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 155 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 156 0.00070381165 3717 3.1500014e-11 -Loop time of 0.000716925 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 156 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 157 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 157 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 158 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 158 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 159 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 159 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 160 0.00060105324 3717 3.1500014e-11 -Loop time of 0.000610828 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 160 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 161 0.00058102608 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 161 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 162 0.0010280609 3717 3.1500014e-11 -Loop time of 0.00104403 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 162 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 163 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 163 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 164 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 164 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 165 0.00062704086 3717 3.1500014e-11 -Loop time of 0.000636101 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 165 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 166 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 166 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 167 0.0013349056 3717 3.1500014e-11 -Loop time of 0.00134802 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 167 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 168 0.00076508522 3717 3.1500014e-11 -Loop time of 0.000779152 on 1 procs for 1 steps with 3717 atoms - -88.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 168 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 169 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 169 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 170 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 170 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 171 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 171 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 172 0.00072789192 3717 3.1500014e-11 -Loop time of 0.000737906 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 172 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 173 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 173 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 174 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 174 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 175 0.00054001808 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 175 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 176 0.00071310997 3717 3.1500014e-11 -Loop time of 0.000725985 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 176 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 177 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 177 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 178 0.0006070137 3717 3.1500014e-11 -Loop time of 0.000615835 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 178 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 179 0.0007750988 3717 3.1500014e-11 -Loop time of 0.00078702 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 179 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 180 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 180 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 181 0.0009469986 3717 3.1500014e-11 -Loop time of 0.00095892 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 181 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 182 0.00052404404 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 182 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 183 0.00061297417 3717 3.1500014e-11 -Loop time of 0.000619888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 183 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 184 0.00077390671 3717 3.1500014e-11 -Loop time of 0.000784874 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 184 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 185 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 185 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 186 0.00056290627 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 186 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 187 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 187 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 188 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 188 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 189 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 189 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 190 0.0009739399 3717 3.1500014e-11 -Loop time of 0.000987053 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 190 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 191 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 191 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 192 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 192 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 193 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536203 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 193 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 194 0.00071692467 3717 3.1500014e-11 -Loop time of 0.000741005 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 194 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 195 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 195 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 196 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 196 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 197 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 197 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 198 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 198 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 199 0.00059199333 3717 3.1500014e-11 -Loop time of 0.000599146 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 199 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 200 0.00059700012 3717 3.1500014e-11 -Loop time of 0.00060606 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 200 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 201 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 201 0 3717 3.1500014e-11 -ssurf = 2.307468e-03 -ssurf2 = 2.486077e-03 -ssurf3 = 2.661515e-03 - 202 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 202 0 3717 3.1500014e-11 -number of iterations: 128846 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 203 179.51067 3717 3.1500014e-11 -Loop time of 179.511 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 203 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 204 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 204 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 205 0.00078988075 3717 3.1500014e-11 -Loop time of 0.000805855 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 205 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 206 0.00060081482 3717 3.1500014e-11 -Loop time of 0.000613928 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 206 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 207 0.00097203255 3717 3.1500014e-11 -Loop time of 0.000985861 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 207 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 208 0.00068998337 3717 3.1500014e-11 -Loop time of 0.000702858 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 208 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 209 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 209 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 210 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 210 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 211 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 211 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 212 0.0010929108 3717 3.1500014e-11 -Loop time of 0.00110388 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 212 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 213 0.00085091591 3717 3.1500014e-11 -Loop time of 0.000864983 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 213 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 214 0.00061511993 3717 3.1500014e-11 -Loop time of 0.000625134 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 214 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 215 0.00061416626 3717 3.1500014e-11 -Loop time of 0.00062418 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 215 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 216 0.00058794022 3717 3.1500014e-11 -Loop time of 0.0006001 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 216 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 217 0.00056195259 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 217 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 218 0.00061893463 3717 3.1500014e-11 -Loop time of 0.000627995 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 218 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 219 0.00077486038 3717 3.1500014e-11 -Loop time of 0.000785828 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 219 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 220 0.00066399574 3717 3.1500014e-11 -Loop time of 0.000674963 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 220 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 221 0.00064206123 3717 3.1500014e-11 -Loop time of 0.000653982 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 221 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 222 0.00073981285 3717 3.1500014e-11 -Loop time of 0.000751972 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 222 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 223 0.0006840229 3717 3.1500014e-11 -Loop time of 0.000694036 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 223 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 224 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 224 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 225 0.0013101101 3717 3.1500014e-11 -Loop time of 0.00132513 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 225 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 226 0.00057196617 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 226 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 227 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 227 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 228 0.00061988831 3717 3.1500014e-11 -Loop time of 0.000630856 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 228 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 229 0.00060606003 3717 3.1500014e-11 -Loop time of 0.00061512 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 229 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 230 0.00083518028 3717 3.1500014e-11 -Loop time of 0.000847101 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 230 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 231 0.00062799454 3717 3.1500014e-11 -Loop time of 0.000640869 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 231 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 232 0.0006301403 3717 3.1500014e-11 -Loop time of 0.000640154 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 232 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 233 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 233 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 234 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 234 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 235 0.00078988075 3717 3.1500014e-11 -Loop time of 0.00080204 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 235 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 236 0.00085496902 3717 3.1500014e-11 -Loop time of 0.000867844 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 236 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 237 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 237 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 238 0.00066590309 3717 3.1500014e-11 -Loop time of 0.00067997 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 238 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 239 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 239 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 240 0.00075888634 3717 3.1500014e-11 -Loop time of 0.000770807 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 240 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 241 0.00059509277 3717 3.1500014e-11 -Loop time of 0.000602961 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 241 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 242 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 242 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 243 0.00055789948 3717 3.1500014e-11 -Loop time of 0.00056982 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 243 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 244 0.00059008598 3717 3.1500014e-11 -Loop time of 0.000598192 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 244 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 245 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 245 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 246 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 246 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 247 0.00072097778 3717 3.1500014e-11 -Loop time of 0.000730991 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 247 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 248 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 248 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 249 0.0006082058 3717 3.1500014e-11 -Loop time of 0.000616074 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 249 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 250 0.00076603889 3717 3.1500014e-11 -Loop time of 0.000776052 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 250 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 251 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 251 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 252 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 252 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 253 0.00060892105 3717 3.1500014e-11 -Loop time of 0.000617981 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 253 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 254 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 254 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 255 0.00066113472 3717 3.1500014e-11 -Loop time of 0.000674009 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 255 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 256 0.00060510635 3717 3.1500014e-11 -Loop time of 0.000616074 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 256 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 257 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 257 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 258 0.00062203407 3717 3.1500014e-11 -Loop time of 0.000634193 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 258 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 259 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 259 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 260 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 260 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 261 0.00080800056 3717 3.1500014e-11 -Loop time of 0.000819921 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 261 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 262 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 262 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 263 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 263 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 264 0.0010020733 3717 3.1500014e-11 -Loop time of 0.0010221 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 264 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 265 0.0007610321 3717 3.1500014e-11 -Loop time of 0.000775099 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 265 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 266 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 266 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 267 0.00067400932 3717 3.1500014e-11 -Loop time of 0.000684023 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 267 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 268 0.00069093704 3717 3.1500014e-11 -Loop time of 0.000702858 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 268 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 269 0.00074696541 3717 3.1500014e-11 -Loop time of 0.000757933 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 269 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 270 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 270 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 271 0.00070905685 3717 3.1500014e-11 -Loop time of 0.000720024 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 271 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 272 0.00058794022 3717 3.1500014e-11 -Loop time of 0.000599146 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 272 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 273 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000604868 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 273 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 274 0.00067996979 3717 3.1500014e-11 -Loop time of 0.00068903 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 274 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 275 0.00056195259 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 275 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 276 0.00069403648 3717 3.1500014e-11 -Loop time of 0.000701904 on 1 procs for 1 steps with 3717 atoms - -101.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 276 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 277 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 277 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 278 0.00069308281 3717 3.1500014e-11 -Loop time of 0.00070405 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 278 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 279 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 279 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 280 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 280 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 281 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 281 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 282 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 282 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 283 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 283 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 284 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 284 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 285 0.00057291985 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 285 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 286 0.0006210804 3717 3.1500014e-11 -Loop time of 0.0006392 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 286 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 287 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 287 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 288 0.00085091591 3717 3.1500014e-11 -Loop time of 0.000862122 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 288 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 289 0.00078320503 3717 3.1500014e-11 -Loop time of 0.000794172 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 289 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 290 0.00070691109 3717 3.1500014e-11 -Loop time of 0.000716925 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 290 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 291 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 291 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 292 0.00059199333 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 292 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 293 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 293 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 294 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 294 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 295 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 295 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 296 0.00064015388 3717 3.1500014e-11 -Loop time of 0.000653028 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 296 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 297 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 297 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 298 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 298 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 299 0.00053620338 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 299 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 300 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000608921 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 300 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 301 0.00061297417 3717 3.1500014e-11 -Loop time of 0.000624895 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 301 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 302 0.00067090988 3717 3.1500014e-11 -Loop time of 0.00068593 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 302 0 3717 3.1500014e-11 -ssurf = 2.434188e-03 -ssurf2 = 2.621757e-03 -ssurf3 = 2.805640e-03 - 303 0.00062608719 3717 3.1500014e-11 -Loop time of 0.000638008 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 303 0 3717 3.1500014e-11 -number of iterations: 16661 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 304 23.473207 3717 3.1500014e-11 -Loop time of 23.4732 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 304 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 305 0.00063705444 3717 3.1500014e-11 -Loop time of 0.000656128 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 305 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 306 0.00057888031 3717 3.1500014e-11 -Loop time of 0.000589848 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 306 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 307 0.00068187714 3717 3.1500014e-11 -Loop time of 0.000692844 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 307 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 308 0.00064611435 3717 3.1500014e-11 -Loop time of 0.000658989 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 308 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 309 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 309 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 310 0.0017499924 3717 3.1500014e-11 -Loop time of 0.00176883 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 310 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 311 0.00071716309 3717 3.1500014e-11 -Loop time of 0.000730038 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 311 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 312 0.00073885918 3717 3.1500014e-11 -Loop time of 0.000752926 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 312 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 313 0.00079011917 3717 3.1500014e-11 -Loop time of 0.000798941 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 313 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 314 0.00072979927 3717 3.1500014e-11 -Loop time of 0.000741005 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 314 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 315 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 315 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 316 0.0007288456 3717 3.1500014e-11 -Loop time of 0.000741959 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 316 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 317 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 317 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 318 0.00092506409 3717 3.1500014e-11 -Loop time of 0.000936985 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 318 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 319 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 319 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 320 0.00066685677 3717 3.1500014e-11 -Loop time of 0.00067997 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 320 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 321 0.00065493584 3717 3.1500014e-11 -Loop time of 0.000667095 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 321 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 322 0.00061297417 3717 3.1500014e-11 -Loop time of 0.000620842 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 322 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 323 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 323 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 324 0.00062704086 3717 3.1500014e-11 -Loop time of 0.000638008 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 324 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 325 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 325 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 326 0.00079798698 3717 3.1500014e-11 -Loop time of 0.000808954 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 326 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 327 0.00077009201 3717 3.1500014e-11 -Loop time of 0.000782967 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 327 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 328 0.0005979538 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 328 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 329 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 329 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 330 0.00063991547 3717 3.1500014e-11 -Loop time of 0.000651836 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 330 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 331 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 331 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 332 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 332 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 333 0.00072908401 3717 3.1500014e-11 -Loop time of 0.000739098 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 333 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 334 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 334 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 335 0.00068902969 3717 3.1500014e-11 -Loop time of 0.000697136 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 335 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 336 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000595093 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 336 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 337 0.0006070137 3717 3.1500014e-11 -Loop time of 0.000617981 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 337 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 338 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 338 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 339 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 339 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 340 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 340 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 341 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 341 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 342 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 342 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 343 0.0005800724 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 343 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 344 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 344 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 345 0.00096011162 3717 3.1500014e-11 -Loop time of 0.000972033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 345 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 346 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 346 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 347 0.00099396706 3717 3.1500014e-11 -Loop time of 0.00100899 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 347 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 348 0.00060009956 3717 3.1500014e-11 -Loop time of 0.000610113 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 348 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 349 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 349 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 350 0.00069499016 3717 3.1500014e-11 -Loop time of 0.00070715 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 350 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 351 0.00066709518 3717 3.1500014e-11 -Loop time of 0.000677109 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 351 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 352 0.00070405006 3717 3.1500014e-11 -Loop time of 0.000715017 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 352 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 353 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 353 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 354 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 354 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 355 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 355 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 356 0.00071191788 3717 3.1500014e-11 -Loop time of 0.000723839 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 356 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 357 0.00068902969 3717 3.1500014e-11 -Loop time of 0.000700951 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 357 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 358 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 358 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 359 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 359 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 360 0.00062608719 3717 3.1500014e-11 -Loop time of 0.000638008 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 360 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 361 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 361 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 362 0.00069403648 3717 3.1500014e-11 -Loop time of 0.000705004 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 362 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 363 0.00075387955 3717 3.1500014e-11 -Loop time of 0.000767946 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 363 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 364 0.00054478645 3717 3.1500014e-11 -Loop time of 0.0005548 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 364 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 365 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 365 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 366 0.0010199547 3717 3.1500014e-11 -Loop time of 0.00103283 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 366 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 367 0.00059008598 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 367 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 368 0.00080180168 3717 3.1500014e-11 -Loop time of 0.000818014 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 368 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 369 0.00056195259 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 369 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 370 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 370 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 371 0.00068616867 3717 3.1500014e-11 -Loop time of 0.000697136 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 371 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 372 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 372 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 373 0.00082302094 3717 3.1500014e-11 -Loop time of 0.000836134 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 373 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 374 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 374 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 375 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 375 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 376 0.0012900829 3717 3.1500014e-11 -Loop time of 0.0013051 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 376 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 377 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 377 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 378 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 378 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 379 0.00064182281 3717 3.1500014e-11 -Loop time of 0.000656843 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 379 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 380 0.00077104568 3717 3.1500014e-11 -Loop time of 0.000787973 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 380 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 381 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 381 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 382 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000618935 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 382 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 383 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 383 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 384 0.00059890747 3717 3.1500014e-11 -Loop time of 0.000606775 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 384 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 385 0.00057911873 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 385 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 386 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 386 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 387 0.00063085556 3717 3.1500014e-11 -Loop time of 0.000639915 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 387 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 388 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 388 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 389 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 389 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 390 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 390 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 391 0.0005941391 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 391 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 392 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 392 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 393 0.00051498413 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 393 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 394 0.0007109642 3717 3.1500014e-11 -Loop time of 0.000720024 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 394 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 395 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 395 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 396 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 396 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 397 0.00059294701 3717 3.1500014e-11 -Loop time of 0.000600815 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 397 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 398 0.00057387352 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 398 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 399 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 399 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 400 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 400 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 401 0.00073194504 3717 3.1500014e-11 -Loop time of 0.000743866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 401 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 402 0.0011250973 3717 3.1500014e-11 -Loop time of 0.00115395 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 402 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 403 0.00071310997 3717 3.1500014e-11 -Loop time of 0.00072217 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 403 0 3717 3.1500014e-11 -ssurf = 2.450391e-03 -ssurf2 = 2.640104e-03 -ssurf3 = 2.826101e-03 - 404 0.00077414513 3717 3.1500014e-11 -Loop time of 0.000782967 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 404 0 3717 3.1500014e-11 -number of iterations: 91922 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 405 120.987 3717 3.1500014e-11 -Loop time of 120.987 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 405 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 406 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 406 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 407 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 407 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 408 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 408 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 409 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 409 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 410 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 410 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 411 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 411 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 412 0.00057482719 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 412 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 413 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 413 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 414 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 414 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 415 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 415 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 416 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000616074 on 1 procs for 1 steps with 3717 atoms - -101.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 416 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 417 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 417 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 418 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 418 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 419 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 419 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 420 0.00056290627 3717 3.1500014e-11 -Loop time of 0.00056982 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 420 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 421 0.00060606003 3717 3.1500014e-11 -Loop time of 0.000616074 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 421 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 422 0.00059390068 3717 3.1500014e-11 -Loop time of 0.000603914 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 422 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 423 0.00058889389 3717 3.1500014e-11 -Loop time of 0.000595808 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 423 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 424 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 424 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 425 0.00061011314 3717 3.1500014e-11 -Loop time of 0.000620127 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 425 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 426 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 426 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 427 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 427 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 428 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 428 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 429 0.00072598457 3717 3.1500014e-11 -Loop time of 0.000735044 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 429 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 430 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 430 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 431 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 431 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 432 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 432 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 433 0.00074291229 3717 3.1500014e-11 -Loop time of 0.000769854 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 433 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 434 0.00057792664 3717 3.1500014e-11 -Loop time of 0.000589848 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 434 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 435 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 435 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 436 0.00056099892 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 436 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 437 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 437 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 438 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 438 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 439 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 439 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 440 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 440 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 441 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 441 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 442 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 442 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 443 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 443 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 444 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 444 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 445 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 445 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 446 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000585794 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 446 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 447 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 447 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 448 0.00079917908 3717 3.1500014e-11 -Loop time of 0.000808001 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 448 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 449 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 449 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 450 0.00055503845 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 450 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 451 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 451 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 452 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 452 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 453 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 453 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 454 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 454 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 455 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 455 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 456 0.00085020065 3717 3.1500014e-11 -Loop time of 0.000862122 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 456 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 457 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 457 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 458 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 458 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 459 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 459 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 460 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 460 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 461 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 461 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 462 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 462 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 463 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 463 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 464 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 464 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 465 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 465 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 466 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 466 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 467 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 467 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 468 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 468 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 469 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 469 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 470 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 470 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 471 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 471 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 472 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 472 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 473 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 473 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 474 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 474 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 475 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 475 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 476 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 476 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 477 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 477 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 478 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 478 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 479 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 479 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 480 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 480 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 481 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 481 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 482 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 482 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 483 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 483 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 484 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 484 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 485 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 485 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 486 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 486 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 487 0.0006070137 3717 3.1500014e-11 -Loop time of 0.000615835 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 487 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 488 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 488 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 489 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 489 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 490 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 490 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 491 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 491 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 492 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 492 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 493 0.00063610077 3717 3.1500014e-11 -Loop time of 0.000647068 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 493 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 494 0.00058484077 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 494 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 495 0.00060486794 3717 3.1500014e-11 -Loop time of 0.00062108 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 495 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 496 0.00083708763 3717 3.1500014e-11 -Loop time of 0.000848055 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 496 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 497 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 497 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 498 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 498 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 499 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 499 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 500 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 500 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 501 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 501 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 502 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 502 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 503 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 503 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 504 0.00053477287 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 504 0 3717 3.1500014e-11 -ssurf = 2.539816e-03 -ssurf2 = 2.733816e-03 -ssurf3 = 2.923491e-03 - 505 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 505 0 3717 3.1500014e-11 -number of iterations: 2916 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 506 3.8044109 3717 3.1500014e-11 -Loop time of 3.80443 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 506 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 507 0.00078988075 3717 3.1500014e-11 -Loop time of 0.000803947 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 507 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 508 0.00092816353 3717 3.1500014e-11 -Loop time of 0.000941038 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 508 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 509 0.00077295303 3717 3.1500014e-11 -Loop time of 0.000782967 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 509 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 510 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536203 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 510 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 511 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 511 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 512 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 512 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 513 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 513 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 514 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 514 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 515 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000594139 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 515 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 516 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 516 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 517 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 517 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 518 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 518 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 519 0.00079989433 3717 3.1500014e-11 -Loop time of 0.000809908 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 519 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 520 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 520 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 521 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000594139 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 521 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 522 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 522 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 523 0.00070691109 3717 3.1500014e-11 -Loop time of 0.000715971 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 523 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 524 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000589848 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 524 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 525 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 525 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 526 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 526 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 527 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 527 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 528 0.00071001053 3717 3.1500014e-11 -Loop time of 0.00072217 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 528 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 529 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 529 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 530 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 530 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 531 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 531 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 532 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 532 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 533 0.00068807602 3717 3.1500014e-11 -Loop time of 0.000699043 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 533 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 534 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 534 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 535 0.00057387352 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 535 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 536 0.00072288513 3717 3.1500014e-11 -Loop time of 0.000731945 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 536 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 537 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 537 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 538 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 538 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 539 0.00061202049 3717 3.1500014e-11 -Loop time of 0.000618935 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 539 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 540 0.00060105324 3717 3.1500014e-11 -Loop time of 0.000611067 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 540 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 541 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 541 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 542 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 542 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 543 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 543 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 544 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 544 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 545 0.00059318542 3717 3.1500014e-11 -Loop time of 0.000604153 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 545 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 546 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000603914 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 546 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 547 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 547 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 548 0.00075101852 3717 3.1500014e-11 -Loop time of 0.000761986 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 548 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 549 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 549 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 550 0.00082683563 3717 3.1500014e-11 -Loop time of 0.000839949 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 550 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 551 0.00072216988 3717 3.1500014e-11 -Loop time of 0.000746012 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 551 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 552 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 552 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 553 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 553 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 554 0.00073385239 3717 3.1500014e-11 -Loop time of 0.000742912 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 554 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 555 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 555 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 556 0.00053119659 3717 3.1500014e-11 -Loop time of 0.00054121 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 556 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 557 0.00055480003 3717 3.1500014e-11 -Loop time of 0.000564814 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 557 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 558 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 558 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 559 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 559 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 560 0.00074505806 3717 3.1500014e-11 -Loop time of 0.000756979 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 560 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 561 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 561 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 562 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 562 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 563 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 563 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 564 0.00073313713 3717 3.1500014e-11 -Loop time of 0.000741959 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 564 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 565 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 565 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 566 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 566 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 567 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 567 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 568 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000595093 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 568 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 569 0.00068688393 3717 3.1500014e-11 -Loop time of 0.000695944 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 569 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 570 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 570 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 571 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 571 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 572 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 572 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 573 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 573 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 574 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 574 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 575 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 575 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 576 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 576 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 577 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 577 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 578 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 578 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 579 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 579 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 580 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 580 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 581 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 581 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 582 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 582 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 583 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 583 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 584 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 584 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 585 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 585 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 586 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 586 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 587 0.0005710125 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 587 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 588 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 588 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 589 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 589 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 590 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 590 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 591 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 591 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 592 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 592 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 593 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 593 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 594 0.00060081482 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 594 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 595 0.00062394142 3717 3.1500014e-11 -Loop time of 0.000634909 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 595 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 596 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 596 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 597 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 597 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 598 0.0008020401 3717 3.1500014e-11 -Loop time of 0.00082016 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 598 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 599 0.00053977966 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 599 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 600 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 600 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 601 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 601 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 602 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 602 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 603 0.00053977966 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 603 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 604 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 604 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 605 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000604153 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 605 0 3717 3.1500014e-11 -ssurf = 2.541881e-03 -ssurf2 = 2.736028e-03 -ssurf3 = 2.925833e-03 - 606 0.00067520142 3717 3.1500014e-11 -Loop time of 0.000686169 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 606 0 3717 3.1500014e-11 -number of iterations: 1571 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 607 2.1320081 3717 3.1500014e-11 -Loop time of 2.13202 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 607 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 608 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 608 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 609 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 609 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 610 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 610 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 611 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 611 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 612 0.00057506561 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 612 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 613 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 613 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 614 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 614 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 615 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 615 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 616 0.00057578087 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 616 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 617 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 617 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 618 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 618 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 619 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 619 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 620 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 620 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 621 0.00057411194 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 621 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 622 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 622 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 623 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000567198 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 623 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 624 0.00063705444 3717 3.1500014e-11 -Loop time of 0.000648022 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 624 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 625 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 625 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 626 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 626 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 627 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 627 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 628 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 628 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 629 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 629 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 630 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 630 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 631 0.0006070137 3717 3.1500014e-11 -Loop time of 0.000616074 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 631 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 632 0.00061702728 3717 3.1500014e-11 -Loop time of 0.000625134 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 632 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 633 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 633 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 634 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 634 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 635 0.00064206123 3717 3.1500014e-11 -Loop time of 0.000651121 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 635 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 636 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 636 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 637 0.00072789192 3717 3.1500014e-11 -Loop time of 0.000740051 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 637 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 638 0.00065302849 3717 3.1500014e-11 -Loop time of 0.000664949 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 638 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 639 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 639 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 640 0.00071811676 3717 3.1500014e-11 -Loop time of 0.00072813 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 640 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 641 0.00071501732 3717 3.1500014e-11 -Loop time of 0.000727177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 641 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 642 0.00069999695 3717 3.1500014e-11 -Loop time of 0.000710964 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 642 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 643 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 643 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 644 0.00068998337 3717 3.1500014e-11 -Loop time of 0.000699997 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 644 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 645 0.00068092346 3717 3.1500014e-11 -Loop time of 0.000689983 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 645 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 646 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 646 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 647 0.00057387352 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 647 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 648 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000601053 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 648 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 649 0.00069689751 3717 3.1500014e-11 -Loop time of 0.000709057 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 649 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 650 0.0005710125 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 650 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 651 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 651 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 652 0.00073599815 3717 3.1500014e-11 -Loop time of 0.000754118 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 652 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 653 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 653 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 654 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 654 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 655 0.00070285797 3717 3.1500014e-11 -Loop time of 0.000715971 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 655 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 656 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000573158 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 656 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 657 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 657 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 658 0.00070905685 3717 3.1500014e-11 -Loop time of 0.000720024 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 658 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 659 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000602961 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 659 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 660 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 660 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 661 0.00060391426 3717 3.1500014e-11 -Loop time of 0.000611782 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 661 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 662 0.00059199333 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 662 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 663 0.00078487396 3717 3.1500014e-11 -Loop time of 0.000799894 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 663 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 664 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 664 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 665 0.00077700615 3717 3.1500014e-11 -Loop time of 0.000789881 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 665 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 666 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 666 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 667 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 667 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 668 0.00064206123 3717 3.1500014e-11 -Loop time of 0.000654936 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 668 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 669 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 669 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 670 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 670 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 671 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 671 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 672 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 672 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 673 0.00061893463 3717 3.1500014e-11 -Loop time of 0.000627041 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 673 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 674 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 674 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 675 0.00074100494 3717 3.1500014e-11 -Loop time of 0.000752926 on 1 procs for 1 steps with 3717 atoms - -101.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 675 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 676 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 676 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 677 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 677 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 678 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 678 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 679 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 679 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 680 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 680 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 681 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 681 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 682 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 682 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 683 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 683 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 684 0.00053286552 3717 3.1500014e-11 -Loop time of 0.00053978 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 684 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 685 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 685 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 686 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 686 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 687 0.00058102608 3717 3.1500014e-11 -Loop time of 0.000594139 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 687 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 688 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 688 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 689 0.0005698204 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 689 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 690 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 690 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 691 0.00083899498 3717 3.1500014e-11 -Loop time of 0.000856876 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 691 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 692 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 692 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 693 0.00057387352 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 693 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 694 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 694 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 695 0.00061988831 3717 3.1500014e-11 -Loop time of 0.000628948 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 695 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 696 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 696 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 697 0.00074100494 3717 3.1500014e-11 -Loop time of 0.000750065 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 697 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 698 0.00071191788 3717 3.1500014e-11 -Loop time of 0.000723124 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 698 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 699 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 699 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 700 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 700 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 701 0.00071620941 3717 3.1500014e-11 -Loop time of 0.000735998 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 701 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 702 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 702 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 703 0.00057387352 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 703 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 704 0.00070405006 3717 3.1500014e-11 -Loop time of 0.000715017 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 704 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 705 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 705 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 706 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 706 0 3717 3.1500014e-11 -ssurf = 2.543109e-03 -ssurf2 = 2.737374e-03 -ssurf3 = 2.927289e-03 - 707 0.00073719025 3717 3.1500014e-11 -Loop time of 0.000751019 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 707 0 3717 3.1500014e-11 -number of iterations: 922 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 708 1.2125938 3717 3.1500014e-11 -Loop time of 1.21261 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 708 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 709 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 709 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 710 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 710 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 711 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 711 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 712 0.00071287155 3717 3.1500014e-11 -Loop time of 0.000723839 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 712 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 713 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 713 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 714 0.00063085556 3717 3.1500014e-11 -Loop time of 0.000638962 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 714 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 715 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 715 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 716 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 716 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 717 0.00062918663 3717 3.1500014e-11 -Loop time of 0.000638962 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 717 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 718 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 718 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 719 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000578165 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 719 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 720 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 720 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 721 0.00055885315 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 721 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 722 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 722 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 723 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 723 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 724 0.00057196617 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 724 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 725 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 725 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 726 0.00070405006 3717 3.1500014e-11 -Loop time of 0.000715017 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 726 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 727 0.00073885918 3717 3.1500014e-11 -Loop time of 0.000750065 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 727 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 728 0.00058984756 3717 3.1500014e-11 -Loop time of 0.000600815 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 728 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 729 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 729 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 730 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 730 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 731 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 731 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 732 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 732 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 733 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 733 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 734 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 734 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 735 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 735 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 736 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 736 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 737 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000562191 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 737 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 738 0.00061702728 3717 3.1500014e-11 -Loop time of 0.000627995 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 738 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 739 0.00058102608 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 739 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 740 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 740 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 741 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 741 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 742 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 742 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 743 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 743 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 744 0.00062298775 3717 3.1500014e-11 -Loop time of 0.000633955 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 744 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 745 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 745 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 746 0.0005979538 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 746 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 747 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 747 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 748 0.00055718422 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 748 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 749 0.0007379055 3717 3.1500014e-11 -Loop time of 0.000751019 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 749 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 750 0.00072193146 3717 3.1500014e-11 -Loop time of 0.000741959 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 750 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 751 0.00062394142 3717 3.1500014e-11 -Loop time of 0.000641823 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 751 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 752 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 752 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 753 0.00059294701 3717 3.1500014e-11 -Loop time of 0.000601053 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 753 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 754 0.00056505203 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 754 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 755 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 755 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 756 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 756 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 757 0.0005698204 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 757 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 758 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 758 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 759 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 759 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 760 0.0005941391 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 760 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 761 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 761 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 762 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 762 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 763 0.00057291985 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 763 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 764 0.0006070137 3717 3.1500014e-11 -Loop time of 0.000618219 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 764 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 765 0.00084686279 3717 3.1500014e-11 -Loop time of 0.000856876 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 765 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 766 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 766 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 767 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 767 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 768 0.0005710125 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 768 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 769 0.00059819221 3717 3.1500014e-11 -Loop time of 0.00060606 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 769 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 770 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 770 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 771 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 771 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 772 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 772 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 773 0.00056290627 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 773 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 774 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 774 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 775 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 775 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 776 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 776 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 777 0.0007390976 3717 3.1500014e-11 -Loop time of 0.000751019 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 777 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 778 0.00051188469 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 778 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 779 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 779 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 780 0.00059914589 3717 3.1500014e-11 -Loop time of 0.000609159 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 780 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 781 0.00066304207 3717 3.1500014e-11 -Loop time of 0.000673056 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 781 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 782 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 782 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 783 0.00093722343 3717 3.1500014e-11 -Loop time of 0.000950098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 783 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 784 0.00057601929 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 784 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 785 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 785 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 786 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 786 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 787 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 787 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 788 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 788 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 789 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000572205 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 789 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 790 0.00060796738 3717 3.1500014e-11 -Loop time of 0.000616789 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 790 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 791 0.00062394142 3717 3.1500014e-11 -Loop time of 0.000632048 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 791 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 792 0.00060606003 3717 3.1500014e-11 -Loop time of 0.000617027 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 792 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 793 0.00060510635 3717 3.1500014e-11 -Loop time of 0.000619173 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 793 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 794 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 794 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 795 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 795 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 796 0.00063610077 3717 3.1500014e-11 -Loop time of 0.000643969 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 796 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 797 0.00062584877 3717 3.1500014e-11 -Loop time of 0.000643015 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 797 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 798 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 798 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 799 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 799 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 800 0.00059080124 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 800 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 801 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 801 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 802 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 802 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 803 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 803 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 804 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000546217 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 804 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 805 0.00053405762 3717 3.1500014e-11 -Loop time of 0.00054121 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 805 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 806 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 806 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 807 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 807 0 3717 3.1500014e-11 -ssurf = 2.543868e-03 -ssurf2 = 2.738216e-03 -ssurf3 = 2.928208e-03 - 808 0.00055718422 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 808 0 3717 3.1500014e-11 -number of iterations: 540 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 809 0.7064929 3717 3.1500014e-11 -Loop time of 0.706515 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 809 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 810 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 810 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 811 0.00058412552 3717 3.1500014e-11 -Loop time of 0.000595093 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 811 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 812 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 812 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 813 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 813 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 814 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 814 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 815 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 815 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 816 0.00060892105 3717 3.1500014e-11 -Loop time of 0.00062108 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 816 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 817 0.00060105324 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 817 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 818 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000604868 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 818 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 819 0.00076293945 3717 3.1500014e-11 -Loop time of 0.00077486 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 819 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 820 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 820 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 821 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 821 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 822 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 822 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 823 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 823 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 824 0.00081706047 3717 3.1500014e-11 -Loop time of 0.000829935 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 824 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 825 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 825 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 826 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 826 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 827 0.00059199333 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 827 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 828 0.0008149147 3717 3.1500014e-11 -Loop time of 0.000832081 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 828 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 829 0.00059986115 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 829 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 830 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 830 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 831 0.00064897537 3717 3.1500014e-11 -Loop time of 0.000658989 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 831 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 832 0.00076317787 3717 3.1500014e-11 -Loop time of 0.000786066 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 832 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 833 0.00072097778 3717 3.1500014e-11 -Loop time of 0.000731945 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 833 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 834 0.00054621696 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 834 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 835 0.00072383881 3717 3.1500014e-11 -Loop time of 0.000735998 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 835 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 836 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 836 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 837 0.00073695183 3717 3.1500014e-11 -Loop time of 0.000746965 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 837 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 838 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 838 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 839 0.00065898895 3717 3.1500014e-11 -Loop time of 0.000669003 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 839 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 840 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 840 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 841 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 841 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 842 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000622988 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 842 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 843 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 843 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 844 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 844 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 845 0.00057196617 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 845 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 846 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 846 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 847 0.00059199333 3717 3.1500014e-11 -Loop time of 0.000599861 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 847 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 848 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 848 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 849 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 849 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 850 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 850 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 851 0.00058102608 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 851 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 852 0.00061202049 3717 3.1500014e-11 -Loop time of 0.00062418 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 852 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 853 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 853 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 854 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 854 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 855 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 855 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 856 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 856 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 857 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000573158 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 857 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 858 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 858 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 859 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 859 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 860 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 860 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 861 0.00054121017 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 861 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 862 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -97.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 862 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 863 0.00067901611 3717 3.1500014e-11 -Loop time of 0.000691175 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 863 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 864 0.00097298622 3717 3.1500014e-11 -Loop time of 0.000986099 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 864 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 865 0.0007610321 3717 3.1500014e-11 -Loop time of 0.000771999 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 865 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 866 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 866 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 867 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 867 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 868 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 868 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 869 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 869 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 870 0.00073099136 3717 3.1500014e-11 -Loop time of 0.000741005 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 870 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 871 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 871 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 872 0.0006737709 3717 3.1500014e-11 -Loop time of 0.000682831 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 872 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 873 0.00066208839 3717 3.1500014e-11 -Loop time of 0.00067997 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 873 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 874 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 874 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 875 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 875 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 876 0.00081396103 3717 3.1500014e-11 -Loop time of 0.000823975 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 876 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 877 0.00058889389 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 877 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 878 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 878 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 879 0.00077795982 3717 3.1500014e-11 -Loop time of 0.00078702 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 879 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 880 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 880 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 881 0.00058412552 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 881 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 882 0.0005569458 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 882 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 883 0.00056481361 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 883 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 884 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 884 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 885 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 885 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 886 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 886 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 887 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 887 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 888 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 888 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 889 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000536203 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 889 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 890 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -99.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 890 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 891 0.00057387352 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 891 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 892 0.00092792511 3717 3.1500014e-11 -Loop time of 0.000940084 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 892 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 893 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 893 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 894 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 894 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 895 0.00057816505 3717 3.1500014e-11 -Loop time of 0.000589132 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 895 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 896 0.00059485435 3717 3.1500014e-11 -Loop time of 0.000602961 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 896 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 897 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 897 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 898 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 898 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 899 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 899 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 900 0.00057005882 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 900 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 901 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 901 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 902 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 902 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 903 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 903 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 904 0.00084686279 3717 3.1500014e-11 -Loop time of 0.00086689 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 904 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 905 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 905 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 906 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 906 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 907 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000589848 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 907 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 908 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 908 0 3717 3.1500014e-11 -ssurf = 2.544326e-03 -ssurf2 = 2.738725e-03 -ssurf3 = 2.928766e-03 - 909 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 909 0 3717 3.1500014e-11 -number of iterations: 315 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 910 0.41555905 3717 3.1500014e-11 -Loop time of 0.415571 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 910 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 911 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 911 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 912 0.00063681602 3717 3.1500014e-11 -Loop time of 0.000644922 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 912 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 913 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000589132 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 913 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 914 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 914 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 915 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 915 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 916 0.00073289871 3717 3.1500014e-11 -Loop time of 0.000745058 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 916 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 917 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 917 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 918 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 918 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 919 0.00068616867 3717 3.1500014e-11 -Loop time of 0.000694036 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 919 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 920 0.00060105324 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 920 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 921 0.00078701973 3717 3.1500014e-11 -Loop time of 0.00079608 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 921 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 922 0.0005569458 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -102.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 922 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 923 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 923 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 924 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 924 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 925 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 925 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 926 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 926 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 927 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 927 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 928 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 928 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 929 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 929 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 930 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 930 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 931 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 931 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 932 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 932 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 933 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 933 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 934 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 934 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 935 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000589848 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 935 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 936 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 936 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 937 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 937 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 938 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 938 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 939 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 939 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 940 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 940 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 941 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 941 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 942 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 942 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 943 0.00073409081 3717 3.1500014e-11 -Loop time of 0.000745058 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 943 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 944 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 944 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 945 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 945 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 946 0.00069904327 3717 3.1500014e-11 -Loop time of 0.000709057 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 946 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 947 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 947 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 948 0.00054478645 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 948 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 949 0.00065302849 3717 3.1500014e-11 -Loop time of 0.000663042 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 949 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 950 0.00070500374 3717 3.1500014e-11 -Loop time of 0.000715017 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 950 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 951 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 951 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 952 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 952 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 953 0.00074505806 3717 3.1500014e-11 -Loop time of 0.00075388 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 953 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 954 0.00058889389 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 954 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 955 0.00052118301 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 955 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 956 0.00056195259 3717 3.1500014e-11 -Loop time of 0.00056982 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 956 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 957 0.00057983398 3717 3.1500014e-11 -Loop time of 0.000588894 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 957 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 958 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 958 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 959 0.00073599815 3717 3.1500014e-11 -Loop time of 0.000748158 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 959 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 960 0.00057816505 3717 3.1500014e-11 -Loop time of 0.000588179 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 960 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 961 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 961 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 962 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 962 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 963 0.00074505806 3717 3.1500014e-11 -Loop time of 0.000756025 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 963 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 964 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 964 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 965 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 965 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 966 0.00060796738 3717 3.1500014e-11 -Loop time of 0.000616074 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 966 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 967 0.00062203407 3717 3.1500014e-11 -Loop time of 0.000633001 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 967 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 968 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 968 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 969 0.00055599213 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 969 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 970 0.00060296059 3717 3.1500014e-11 -Loop time of 0.000613928 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 970 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 971 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 971 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 972 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 972 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 973 0.00078892708 3717 3.1500014e-11 -Loop time of 0.000803947 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 973 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 974 0.00061321259 3717 3.1500014e-11 -Loop time of 0.000622988 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 974 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 975 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 975 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 976 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 976 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 977 0.00058794022 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 977 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 978 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 978 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 979 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 979 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 980 0.00088691711 3717 3.1500014e-11 -Loop time of 0.000907898 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 980 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 981 0.00057315826 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 981 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 982 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 982 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 983 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 983 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 984 0.00060296059 3717 3.1500014e-11 -Loop time of 0.000612974 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 984 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 985 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 985 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 986 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000562191 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 986 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 987 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 987 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 988 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 988 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 989 0.00061178207 3717 3.1500014e-11 -Loop time of 0.000625849 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 989 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 990 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 990 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 991 0.00056886673 3717 3.1500014e-11 -Loop time of 0.000575781 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 991 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 992 0.00061392784 3717 3.1500014e-11 -Loop time of 0.000626087 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 992 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 993 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 993 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 994 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 994 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 995 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 995 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 996 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 996 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 997 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 997 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 998 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 998 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 999 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 999 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1000 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000594139 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1000 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1001 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1001 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1002 0.00076889992 3717 3.1500014e-11 -Loop time of 0.000778913 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1002 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1003 0.00054097176 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1003 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1004 0.00060009956 3717 3.1500014e-11 -Loop time of 0.000617981 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1004 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1005 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1005 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1006 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1006 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1007 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1007 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1008 0.00061583519 3717 3.1500014e-11 -Loop time of 0.000634909 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1008 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1009 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1009 0 3717 3.1500014e-11 -ssurf = 2.544597e-03 -ssurf2 = 2.739028e-03 -ssurf3 = 2.929099e-03 - 1010 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1010 0 3717 3.1500014e-11 -number of iterations: 181 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1011 0.23893499 3717 3.1500014e-11 -Loop time of 0.238946 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1011 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1012 0.00064301491 3717 3.1500014e-11 -Loop time of 0.000650883 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1012 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1013 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1013 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1014 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000608921 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1014 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1015 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000603914 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1015 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1016 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000594854 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1016 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1017 0.00058078766 3717 3.1500014e-11 -Loop time of 0.000588894 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1017 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1018 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1018 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1019 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1019 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1020 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1020 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1021 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1021 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1022 0.0005569458 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1022 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1023 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1023 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1024 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1024 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1025 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1025 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1026 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1026 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1027 0.00058317184 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1027 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1028 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1028 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1029 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1029 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1030 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1030 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1031 0.00060892105 3717 3.1500014e-11 -Loop time of 0.000617027 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1031 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1032 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1032 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1033 0.00059509277 3717 3.1500014e-11 -Loop time of 0.000603199 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1033 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1034 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1034 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1035 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1035 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1036 0.00060009956 3717 3.1500014e-11 -Loop time of 0.000611067 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1036 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1037 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1037 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1038 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000605106 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1038 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1039 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1039 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1040 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1040 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1041 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000572205 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1041 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1042 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1042 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1043 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000594854 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1043 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1044 0.00058794022 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1044 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1045 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1045 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1046 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1046 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1047 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1047 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1048 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1048 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1049 0.00056195259 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1049 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1050 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1050 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1051 0.00063991547 3717 3.1500014e-11 -Loop time of 0.000652075 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1051 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1052 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1052 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1053 0.00059914589 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1053 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1054 0.0005838871 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1054 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1055 0.0005838871 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1055 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1056 0.00060105324 3717 3.1500014e-11 -Loop time of 0.000608921 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1056 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1057 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1057 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1058 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1058 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1059 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1059 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1060 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1060 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1061 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1061 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1062 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1062 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1063 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1063 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1064 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1064 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1065 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1065 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1066 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1066 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1067 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1067 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1068 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1068 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1069 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1069 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1070 0.00060009956 3717 3.1500014e-11 -Loop time of 0.000609875 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1070 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1071 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1071 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1072 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518799 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1072 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1073 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1073 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1074 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1074 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1075 0.00055718422 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1075 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1076 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1076 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1077 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1077 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1078 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1078 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1079 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1079 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1080 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1080 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1081 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1081 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1082 0.00057005882 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1082 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1083 0.00066113472 3717 3.1500014e-11 -Loop time of 0.000673056 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1083 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1084 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -97.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1084 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1085 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000590801 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1085 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1086 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1086 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1087 0.00057387352 3717 3.1500014e-11 -Loop time of 0.000584841 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1087 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1088 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1088 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1089 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1089 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1090 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1090 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1091 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1091 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1092 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1092 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1093 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1093 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1094 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1094 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1095 0.00055289268 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1095 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1096 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1096 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1097 0.0006070137 3717 3.1500014e-11 -Loop time of 0.000614882 on 1 procs for 1 steps with 3717 atoms - -102.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1097 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1098 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1098 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1099 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1099 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1100 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1100 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1101 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1101 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1102 0.00054001808 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1102 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1103 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1103 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1104 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1104 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1105 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1105 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1106 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1106 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1107 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1107 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1108 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1108 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1109 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1109 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1110 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1110 0 3717 3.1500014e-11 -ssurf = 2.544754e-03 -ssurf2 = 2.739203e-03 -ssurf3 = 2.929292e-03 - 1111 0.00073194504 3717 3.1500014e-11 -Loop time of 0.000741959 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1111 0 3717 3.1500014e-11 -number of iterations: 103 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1112 0.13550401 3717 3.1500014e-11 -Loop time of 0.135518 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1112 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1113 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1113 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1114 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000612974 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1114 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1115 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1115 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1116 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1116 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1117 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1117 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1118 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1118 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1119 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1119 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1120 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1120 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1121 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1121 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1122 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1122 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1123 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1123 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1124 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1124 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1125 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1125 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1126 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1126 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1127 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1127 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1128 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1128 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1129 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1129 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1130 0.00053286552 3717 3.1500014e-11 -Loop time of 0.00053978 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1130 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1131 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000602961 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1131 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1132 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1132 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1133 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1133 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1134 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1134 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1135 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1135 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1136 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1136 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1137 0.00060009956 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1137 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1138 0.00066900253 3717 3.1500014e-11 -Loop time of 0.00067997 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1138 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1139 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000594139 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1139 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1140 0.00059390068 3717 3.1500014e-11 -Loop time of 0.000603914 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1140 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1141 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1141 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1142 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1142 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1143 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1143 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1144 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1144 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1145 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1145 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1146 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1146 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1147 0.00088500977 3717 3.1500014e-11 -Loop time of 0.000906944 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1147 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1148 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1148 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1149 0.00062608719 3717 3.1500014e-11 -Loop time of 0.000633001 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1149 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1150 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1150 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1151 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1151 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1152 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1152 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1153 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1153 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1154 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1154 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1155 0.00081300735 3717 3.1500014e-11 -Loop time of 0.00082612 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1155 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1156 0.00059890747 3717 3.1500014e-11 -Loop time of 0.000609875 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1156 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1157 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1157 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1158 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1158 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1159 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1159 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1160 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1160 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1161 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1161 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1162 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1162 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1163 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1163 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1164 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1164 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1165 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1165 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1166 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1166 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1167 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1167 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1168 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1168 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1169 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1169 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1170 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1170 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1171 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1171 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1172 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1172 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1173 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1173 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1174 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1174 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1175 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1175 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1176 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1176 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1177 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1177 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1178 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1178 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1179 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1179 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1180 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1180 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1181 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1181 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1182 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1182 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1183 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1183 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1184 0.00065779686 3717 3.1500014e-11 -Loop time of 0.00066781 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1184 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1185 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1185 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1186 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1186 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1187 0.00056886673 3717 3.1500014e-11 -Loop time of 0.000575781 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1187 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1188 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1188 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1189 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1189 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1190 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1190 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1191 0.00061798096 3717 3.1500014e-11 -Loop time of 0.000625849 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1191 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1192 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1192 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1193 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1193 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1194 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1194 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1195 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1195 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1196 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1196 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1197 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1197 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1198 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1198 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1199 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1199 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1200 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1200 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1201 0.00074100494 3717 3.1500014e-11 -Loop time of 0.000753164 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1201 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1202 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1202 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1203 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1203 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1204 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1204 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1205 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1205 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1206 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1206 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1207 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1207 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1208 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1208 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1209 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1209 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1210 0.00058317184 3717 3.1500014e-11 -Loop time of 0.000593185 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1210 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1211 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1211 0 3717 3.1500014e-11 -ssurf = 2.544844e-03 -ssurf2 = 2.739304e-03 -ssurf3 = 2.929403e-03 - 1212 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1212 0 3717 3.1500014e-11 -number of iterations: 58 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1213 0.078705072 3717 3.1500014e-11 -Loop time of 0.0787282 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1213 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1214 0.00076603889 3717 3.1500014e-11 -Loop time of 0.000776052 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1214 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1215 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1215 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1216 0.00058102608 3717 3.1500014e-11 -Loop time of 0.000588179 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1216 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1217 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1217 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1218 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1218 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1219 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1219 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1220 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1220 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1221 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1221 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1222 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1222 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1223 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1223 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1224 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1224 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1225 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -99.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1225 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1226 0.00058197975 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1226 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1227 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1227 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1228 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1228 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1229 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1229 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1230 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1230 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1231 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1231 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1232 0.00057721138 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1232 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1233 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000589132 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1233 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1234 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1234 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1235 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1235 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1236 0.00059509277 3717 3.1500014e-11 -Loop time of 0.000617027 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1236 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1237 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1237 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1238 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1238 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1239 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000589848 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1239 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1240 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1240 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1241 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000601768 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1241 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1242 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1242 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1243 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1243 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1244 0.00060296059 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1244 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1245 0.00061297417 3717 3.1500014e-11 -Loop time of 0.000620842 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1245 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1246 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1246 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1247 0.00066113472 3717 3.1500014e-11 -Loop time of 0.000671148 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1247 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1248 0.00061988831 3717 3.1500014e-11 -Loop time of 0.000628948 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1248 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1249 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1249 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1250 0.00067400932 3717 3.1500014e-11 -Loop time of 0.000681877 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1250 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1251 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1251 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1252 0.00058317184 3717 3.1500014e-11 -Loop time of 0.000593185 on 1 procs for 1 steps with 3717 atoms - -98.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1252 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1253 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1253 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1254 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1254 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1255 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1255 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1256 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1256 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1257 0.00060892105 3717 3.1500014e-11 -Loop time of 0.000617027 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1257 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1258 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1258 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1259 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1259 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1260 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1260 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1261 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1261 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1262 0.00066900253 3717 3.1500014e-11 -Loop time of 0.000676155 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1262 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1263 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1263 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1264 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1264 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1265 0.00066590309 3717 3.1500014e-11 -Loop time of 0.000675917 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1265 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1266 0.00060296059 3717 3.1500014e-11 -Loop time of 0.000613928 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1266 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1267 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1267 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1268 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1268 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1269 0.00073313713 3717 3.1500014e-11 -Loop time of 0.000740051 on 1 procs for 1 steps with 3717 atoms - -83.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1269 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1270 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1270 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1271 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1271 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1272 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1272 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1273 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1273 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1274 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1274 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1275 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000594139 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1275 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1276 0.00091195107 3717 3.1500014e-11 -Loop time of 0.00092411 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1276 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1277 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1277 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1278 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1278 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1279 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1279 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1280 0.00061321259 3717 3.1500014e-11 -Loop time of 0.00062418 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1280 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1281 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1281 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1282 0.00060105324 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1282 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1283 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1283 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1284 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1284 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1285 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1285 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1286 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000599861 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1286 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1287 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1287 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1288 0.00079083443 3717 3.1500014e-11 -Loop time of 0.000798941 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1288 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1289 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000573158 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1289 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1290 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000588179 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1290 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1291 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1291 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1292 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1292 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1293 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1293 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1294 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1294 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1295 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1295 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1296 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1296 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1297 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1297 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1298 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1298 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1299 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1299 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1300 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1300 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1301 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1301 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1302 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1302 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1303 0.00060415268 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -99.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1303 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1304 0.00060391426 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1304 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1305 0.0005800724 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1305 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1306 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1306 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1307 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1307 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1308 0.0005800724 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1308 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1309 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1309 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1310 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1310 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1311 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1311 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1312 0.00058794022 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1312 0 3717 3.1500014e-11 -ssurf = 2.544895e-03 -ssurf2 = 2.739361e-03 -ssurf3 = 2.929465e-03 - 1313 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1313 0 3717 3.1500014e-11 -number of iterations: 33 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1314 0.043956995 3717 3.1500014e-11 -Loop time of 0.0439689 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1314 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1315 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1315 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1316 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1316 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1317 0.00059080124 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1317 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1318 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1318 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1319 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1319 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1320 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1320 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1321 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1321 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1322 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1322 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1323 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1323 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1324 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1324 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1325 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1325 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1326 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1326 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1327 0.00056886673 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1327 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1328 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1328 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1329 0.00058817863 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1329 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1330 0.00055718422 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1330 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1331 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1331 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1332 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1332 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1333 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1333 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1334 0.00084710121 3717 3.1500014e-11 -Loop time of 0.000868082 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1334 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1335 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1335 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1336 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1336 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1337 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1337 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1338 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1338 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1339 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1339 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1340 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1340 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1341 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1341 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1342 0.0005941391 3717 3.1500014e-11 -Loop time of 0.000601053 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1342 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1343 0.00060009956 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1343 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1344 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1344 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1345 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1345 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1346 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1346 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1347 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1347 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1348 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1348 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1349 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1349 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1350 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1350 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1351 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1351 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1352 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1352 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1353 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1353 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1354 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1354 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1355 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1355 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1356 0.00064301491 3717 3.1500014e-11 -Loop time of 0.000652075 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1356 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1357 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1357 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1358 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1358 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1359 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1359 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1360 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1360 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1361 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1361 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1362 0.00054097176 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1362 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1363 0.00090479851 3717 3.1500014e-11 -Loop time of 0.000916004 on 1 procs for 1 steps with 3717 atoms - -101.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1363 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1364 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1364 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1365 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000584841 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1365 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1366 0.00058889389 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1366 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1367 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1367 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1368 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1368 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1369 0.00051903725 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1369 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1370 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1370 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1371 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000551224 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1371 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1372 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1372 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1373 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1373 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1374 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1374 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1375 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1375 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1376 0.00070691109 3717 3.1500014e-11 -Loop time of 0.000718117 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1376 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1377 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1377 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1378 0.00060105324 3717 3.1500014e-11 -Loop time of 0.000610113 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1378 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1379 0.00061511993 3717 3.1500014e-11 -Loop time of 0.000622988 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1379 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1380 0.00061321259 3717 3.1500014e-11 -Loop time of 0.000622034 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1380 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1381 0.00061893463 3717 3.1500014e-11 -Loop time of 0.000627041 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1381 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1382 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1382 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1383 0.000841856 3717 3.1500014e-11 -Loop time of 0.000855923 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1383 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1384 0.0006210804 3717 3.1500014e-11 -Loop time of 0.000633001 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1384 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1385 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1385 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1386 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000602961 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1386 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1387 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1387 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1388 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1388 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1389 0.00068187714 3717 3.1500014e-11 -Loop time of 0.000689983 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1389 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1390 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1390 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1391 0.00061702728 3717 3.1500014e-11 -Loop time of 0.000629187 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1391 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1392 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1392 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1393 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1393 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1394 0.0005979538 3717 3.1500014e-11 -Loop time of 0.000605106 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1394 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1395 0.00059318542 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1395 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1396 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1396 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1397 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1397 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1398 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1398 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1399 0.00058889389 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1399 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1400 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1400 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1401 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1401 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1402 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1402 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1403 0.0005698204 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1403 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1404 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1404 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1405 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1405 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1406 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1406 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1407 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1407 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1408 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1408 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1409 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1409 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1410 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1410 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1411 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1411 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1412 0.00061607361 3717 3.1500014e-11 -Loop time of 0.000627041 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1412 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1413 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1413 0 3717 3.1500014e-11 -ssurf = 2.544924e-03 -ssurf2 = 2.739393e-03 -ssurf3 = 2.929501e-03 - 1414 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1414 0 3717 3.1500014e-11 -number of iterations: 19 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1415 0.026879787 3717 3.1500014e-11 -Loop time of 0.026897 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1415 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1416 0.00057983398 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1416 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1417 0.00060486794 3717 3.1500014e-11 -Loop time of 0.000613928 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1417 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1418 0.00054788589 3717 3.1500014e-11 -Loop time of 0.0005548 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1418 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1419 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1419 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1420 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1420 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1421 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1421 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1422 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1422 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1423 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1423 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1424 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1424 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1425 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1425 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1426 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1426 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1427 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1427 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1428 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1428 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1429 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1429 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1430 0.00062298775 3717 3.1500014e-11 -Loop time of 0.000631094 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1430 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1431 0.00067591667 3717 3.1500014e-11 -Loop time of 0.000686884 on 1 procs for 1 steps with 3717 atoms - -101.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1431 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1432 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1432 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1433 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1433 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1434 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1434 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1435 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1435 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1436 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1436 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1437 0.00055980682 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1437 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1438 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1438 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1439 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1439 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1440 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1440 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1441 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1441 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1442 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1442 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1443 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1443 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1444 0.00061106682 3717 3.1500014e-11 -Loop time of 0.000620127 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1444 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1445 0.00055980682 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1445 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1446 0.00058794022 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1446 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1447 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1447 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1448 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1448 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1449 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1449 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1450 0.00058984756 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1450 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1451 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1451 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1452 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1452 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1453 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000564814 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1453 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1454 0.00065112114 3717 3.1500014e-11 -Loop time of 0.000660181 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1454 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1455 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1455 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1456 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1456 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1457 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1457 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1458 0.00068283081 3717 3.1500014e-11 -Loop time of 0.000692844 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1458 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1459 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1459 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1460 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1460 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1461 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1461 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1462 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1462 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1463 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1463 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1464 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1464 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1465 0.00051903725 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1465 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1466 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1466 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1467 0.00064206123 3717 3.1500014e-11 -Loop time of 0.000650167 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1467 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1468 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1468 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1469 0.00059294701 3717 3.1500014e-11 -Loop time of 0.000599861 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1469 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1470 0.00053787231 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1470 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1471 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000567198 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1471 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1472 0.00057911873 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1472 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1473 0.00053119659 3717 3.1500014e-11 -Loop time of 0.00054121 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1473 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1474 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1474 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1475 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1475 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1476 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1476 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1477 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1477 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1478 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1478 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1479 0.00056004524 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1479 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1480 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000551224 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1480 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1481 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1481 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1482 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1482 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1483 0.00085806847 3717 3.1500014e-11 -Loop time of 0.000867844 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1483 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1484 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1484 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1485 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000589848 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1485 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1486 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -102.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1486 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1487 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1487 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1488 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1488 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1489 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1489 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1490 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1490 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1491 0.00053620338 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1491 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1492 0.00067186356 3717 3.1500014e-11 -Loop time of 0.000681877 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1492 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1493 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1493 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1494 0.00070595741 3717 3.1500014e-11 -Loop time of 0.000715017 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1494 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1495 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1495 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1496 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1496 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1497 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1497 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1498 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1498 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1499 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1499 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1500 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1500 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1501 0.00060009956 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1501 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1502 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1502 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1503 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1503 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1504 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1504 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1505 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1505 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1506 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1506 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1507 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1507 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1508 0.00057911873 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1508 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1509 0.00058484077 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1509 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1510 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1510 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1511 0.00061392784 3717 3.1500014e-11 -Loop time of 0.000632048 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1511 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1512 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1512 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1513 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1513 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1514 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1514 0 3717 3.1500014e-11 -ssurf = 2.544940e-03 -ssurf2 = 2.739412e-03 -ssurf3 = 2.929521e-03 - 1515 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1515 0 3717 3.1500014e-11 -number of iterations: 10 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1516 0.013851881 3717 3.1500014e-11 -Loop time of 0.0138628 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1516 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1517 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1517 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1518 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1518 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1519 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1519 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1520 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1520 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1521 0.00057315826 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1521 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1522 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1522 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1523 0.00051093102 3717 3.1500014e-11 -Loop time of 0.000518084 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1523 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1524 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1524 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1525 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1525 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1526 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1526 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1527 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1527 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1528 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1528 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1529 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1529 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1530 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1530 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1531 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1531 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1532 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1532 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1533 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1533 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1534 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000588894 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1534 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1535 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1535 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1536 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000613928 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1536 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1537 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1537 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1538 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1538 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1539 0.00059008598 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1539 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1540 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1540 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1541 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1541 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1542 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1542 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1543 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1543 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1544 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1544 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1545 0.00060510635 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1545 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1546 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1546 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1547 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1547 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1548 0.00053620338 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1548 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1549 0.00060391426 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1549 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1550 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1550 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1551 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1551 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1552 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1552 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1553 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1553 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1554 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1554 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1555 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1555 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1556 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1556 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1557 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1557 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1558 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1558 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1559 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1559 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1560 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1560 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1561 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1561 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1562 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000551224 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1562 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1563 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1563 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1564 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000564814 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1564 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1565 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1565 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1566 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1566 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1567 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1567 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1568 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1568 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1569 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1569 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1570 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1570 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1571 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000594854 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1571 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1572 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1572 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1573 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1573 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1574 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1574 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1575 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1575 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1576 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1576 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1577 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1577 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1578 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000567198 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1578 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1579 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1579 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1580 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1580 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1581 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1581 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1582 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000562191 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1582 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1583 0.00059390068 3717 3.1500014e-11 -Loop time of 0.000605822 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1583 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1584 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1584 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1585 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1585 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1586 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1586 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1587 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1587 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1588 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1588 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1589 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1589 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1590 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1590 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1591 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1591 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1592 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1592 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1593 0.00057411194 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1593 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1594 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1594 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1595 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1595 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1596 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1596 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1597 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1597 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1598 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1598 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1599 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1599 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1600 0.00059890747 3717 3.1500014e-11 -Loop time of 0.000605822 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1600 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1601 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1601 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1602 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1602 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1603 0.00058984756 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1603 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1604 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1604 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1605 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1605 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1606 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1606 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1607 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1607 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1608 0.00054621696 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1608 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1609 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1609 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1610 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000608921 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1610 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1611 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1611 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1612 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1612 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1613 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1613 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1614 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1614 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1615 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1615 0 3717 3.1500014e-11 -ssurf = 2.544949e-03 -ssurf2 = 2.739422e-03 -ssurf3 = 2.929532e-03 - 1616 0.00059103966 3717 3.1500014e-11 -Loop time of 0.0006001 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1616 0 3717 3.1500014e-11 -number of iterations: 6 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1617 0.0089378357 3717 3.1500014e-11 -Loop time of 0.00895882 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1617 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1618 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1618 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1619 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1619 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1620 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -102.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1620 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1621 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1621 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1622 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1622 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1623 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1623 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1624 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1624 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1625 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1625 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1626 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1626 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1627 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1627 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1628 0.00056505203 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1628 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1629 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1629 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1630 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1630 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1631 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1631 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1632 0.00059199333 3717 3.1500014e-11 -Loop time of 0.000603199 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1632 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1633 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1633 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1634 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1634 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1635 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1635 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1636 0.00059390068 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1636 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1637 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1637 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1638 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1638 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1639 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1639 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1640 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1640 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1641 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1641 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1642 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1642 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1643 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1643 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1644 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1644 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1645 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1645 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1646 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1646 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1647 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1647 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1648 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1648 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1649 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1649 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1650 0.00057482719 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1650 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1651 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1651 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1652 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1652 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1653 0.00055122375 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1653 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1654 0.00061106682 3717 3.1500014e-11 -Loop time of 0.000620127 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1654 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1655 0.0008058548 3717 3.1500014e-11 -Loop time of 0.00081706 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1655 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1656 0.00064206123 3717 3.1500014e-11 -Loop time of 0.000651121 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1656 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1657 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1657 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1658 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536203 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1658 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1659 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1659 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1660 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1660 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1661 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1661 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1662 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1662 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1663 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1663 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1664 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1664 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1665 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1665 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1666 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1666 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1667 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1667 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1668 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1668 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1669 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1669 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1670 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1670 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1671 0.00066518784 3717 3.1500014e-11 -Loop time of 0.000673056 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1671 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1672 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1672 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1673 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1673 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1674 0.00059008598 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1674 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1675 0.00078606606 3717 3.1500014e-11 -Loop time of 0.00079608 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1675 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1676 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1676 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1677 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1677 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1678 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1678 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1679 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1679 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1680 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1680 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1681 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1681 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1682 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1682 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1683 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1683 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1684 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1684 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1685 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1685 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1686 0.00052213669 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1686 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1687 0.00065994263 3717 3.1500014e-11 -Loop time of 0.000669956 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1687 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1688 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1688 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1689 0.00051879883 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1689 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1690 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1690 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1691 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1691 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1692 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1692 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1693 0.00058579445 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1693 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1694 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1694 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1695 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1695 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1696 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1696 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1697 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1697 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1698 0.00054121017 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1698 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1699 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1699 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1700 0.00051784515 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1700 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1701 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1701 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1702 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1702 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1703 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000603914 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1703 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1704 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1704 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1705 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1705 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1706 0.00065898895 3717 3.1500014e-11 -Loop time of 0.00066781 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1706 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1707 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1707 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1708 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1708 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1709 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1709 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1710 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1710 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1711 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1711 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1712 0.00057911873 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1712 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1713 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1713 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1714 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1714 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1715 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1715 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1716 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1716 0 3717 3.1500014e-11 -ssurf = 2.544954e-03 -ssurf2 = 2.739427e-03 -ssurf3 = 2.929538e-03 - 1717 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1717 0 3717 3.1500014e-11 -number of iterations: 4 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1718 0.0060901642 3717 3.1500014e-11 -Loop time of 0.00610113 on 1 procs for 1 steps with 3717 atoms - -99.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1718 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1719 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000528812 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1719 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1720 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1720 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1721 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000578165 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1721 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1722 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1722 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1723 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1723 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1724 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1724 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1725 0.00057315826 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1725 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1726 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1726 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1727 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1727 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1728 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1728 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1729 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1729 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1730 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1730 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1731 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1731 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1732 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000604868 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1732 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1733 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1733 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1734 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1734 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1735 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1735 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1736 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1736 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1737 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1737 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1738 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1738 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1739 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1739 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1740 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1740 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1741 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1741 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1742 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1742 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1743 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1743 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1744 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1744 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1745 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1745 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1746 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -97.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1746 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1747 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1747 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1748 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1748 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1749 0.00054502487 3717 3.1500014e-11 -Loop time of 0.0005548 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1749 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1750 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1750 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1751 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1751 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1752 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1752 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1753 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1753 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1754 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1754 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1755 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1755 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1756 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1756 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1757 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1757 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1758 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1758 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1759 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1759 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1760 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1760 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1761 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1761 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1762 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1762 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1763 0.00060319901 3717 3.1500014e-11 -Loop time of 0.000611067 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1763 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1764 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1764 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1765 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000584841 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1765 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1766 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1766 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1767 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1767 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1768 0.00054621696 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1768 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1769 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1769 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1770 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1770 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1771 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1771 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1772 0.00055718422 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1772 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1773 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1773 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1774 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1774 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1775 0.00076723099 3717 3.1500014e-11 -Loop time of 0.000779152 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1775 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1776 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1776 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1777 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1777 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1778 0.00074791908 3717 3.1500014e-11 -Loop time of 0.000767946 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1778 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1779 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1779 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1780 0.00053620338 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1780 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1781 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1781 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1782 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1782 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1783 0.00076508522 3717 3.1500014e-11 -Loop time of 0.00077796 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1783 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1784 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1784 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1785 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1785 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1786 0.00054621696 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1786 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1787 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1787 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1788 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1788 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1789 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1789 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1790 0.00054121017 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1790 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1791 0.00054121017 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1791 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1792 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1792 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1793 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1793 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1794 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1794 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1795 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1795 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1796 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1796 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1797 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1797 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1798 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000562191 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1798 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1799 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1799 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1800 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1800 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1801 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1801 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1802 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1802 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1803 0.00063204765 3717 3.1500014e-11 -Loop time of 0.000638962 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1803 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1804 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1804 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1805 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -97.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1805 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1806 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1806 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1807 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1807 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1808 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1808 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1809 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1809 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1810 0.00075101852 3717 3.1500014e-11 -Loop time of 0.000769138 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1810 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1811 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1811 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1812 0.0005710125 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1812 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1813 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1813 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1814 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1814 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1815 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1815 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1816 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1816 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1817 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1817 0 3717 3.1500014e-11 -ssurf = 2.544958e-03 -ssurf2 = 2.739431e-03 -ssurf3 = 2.929543e-03 - 1818 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1818 0 3717 3.1500014e-11 -number of iterations: 2 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1819 0.0035140514 3717 3.1500014e-11 -Loop time of 0.00353408 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1819 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1820 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1820 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1821 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1821 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1822 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1822 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1823 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1823 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1824 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1824 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1825 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1825 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1826 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1826 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1827 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1827 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1828 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1828 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1829 0.00058817863 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1829 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1830 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1830 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1831 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1831 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1832 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1832 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1833 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1833 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1834 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1834 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1835 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1835 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1836 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1836 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1837 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000551224 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1837 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1838 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1838 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1839 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1839 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1840 0.0005941391 3717 3.1500014e-11 -Loop time of 0.00060606 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1840 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1841 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1841 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1842 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1842 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1843 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1843 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1844 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1844 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1845 0.00054121017 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1845 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1846 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1846 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1847 0.00076889992 3717 3.1500014e-11 -Loop time of 0.000777006 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1847 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1848 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1848 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1849 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1849 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1850 0.00062704086 3717 3.1500014e-11 -Loop time of 0.000636101 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1850 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1851 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1851 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1852 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1852 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1853 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1853 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1854 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1854 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1855 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1855 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1856 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1856 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1857 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1857 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1858 0.00059199333 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1858 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1859 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1859 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1860 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1860 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1861 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1861 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1862 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1862 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1863 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1863 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1864 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1864 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1865 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1865 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1866 0.00053620338 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1866 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1867 0.00060009956 3717 3.1500014e-11 -Loop time of 0.000609159 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1867 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1868 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1868 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1869 0.00066995621 3717 3.1500014e-11 -Loop time of 0.000678062 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1869 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1870 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1870 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1871 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000562191 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1871 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1872 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1872 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1873 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1873 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1874 0.00052118301 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1874 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1875 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1875 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1876 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000546217 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1876 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1877 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1877 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1878 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1878 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1879 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1879 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1880 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1880 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1881 0.00066995621 3717 3.1500014e-11 -Loop time of 0.000677824 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1881 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1882 0.00062179565 3717 3.1500014e-11 -Loop time of 0.000629902 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1882 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1883 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1883 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1884 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1884 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1885 0.00061583519 3717 3.1500014e-11 -Loop time of 0.000622988 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1885 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1886 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1886 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1887 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000578165 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1887 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1888 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1888 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1889 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1889 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1890 0.00058889389 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1890 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1891 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1891 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1892 0.00060606003 3717 3.1500014e-11 -Loop time of 0.000613928 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1892 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1893 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1893 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1894 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1894 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1895 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1895 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1896 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1896 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1897 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1897 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1898 0.00051689148 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1898 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1899 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1899 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1900 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1900 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1901 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1901 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1902 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1902 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1903 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1903 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1904 0.00053405762 3717 3.1500014e-11 -Loop time of 0.00054121 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1904 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1905 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1905 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1906 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1906 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1907 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1907 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1908 0.00087213516 3717 3.1500014e-11 -Loop time of 0.000883102 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1908 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1909 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1909 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1910 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1910 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1911 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1911 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1912 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1912 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1913 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1913 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1914 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1914 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1915 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1915 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1916 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1916 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1917 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1917 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1918 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1918 0 3717 3.1500014e-11 -ssurf = 2.544960e-03 -ssurf2 = 2.739433e-03 -ssurf3 = 2.929545e-03 - 1919 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1919 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1920 0.0022377968 3717 3.1500014e-11 -Loop time of 0.00224686 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1920 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1921 0.00056481361 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1921 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1922 0.00054502487 3717 3.1500014e-11 -Loop time of 0.0005548 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1922 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1923 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1923 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1924 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1924 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1925 0.0005698204 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1925 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1926 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1926 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1927 0.0005979538 3717 3.1500014e-11 -Loop time of 0.000604868 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1927 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1928 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1928 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1929 0.00077486038 3717 3.1500014e-11 -Loop time of 0.000782967 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1929 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1930 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1930 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1931 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1931 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1932 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1932 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1933 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1933 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1934 0.00063204765 3717 3.1500014e-11 -Loop time of 0.0006392 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1934 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1935 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000605106 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1935 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1936 0.00059604645 3717 3.1500014e-11 -Loop time of 0.00060606 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1936 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1937 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1937 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1938 0.00075387955 3717 3.1500014e-11 -Loop time of 0.000763893 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1938 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1939 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1939 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1940 0.00060296059 3717 3.1500014e-11 -Loop time of 0.000612974 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1940 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1941 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1941 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1942 0.00067400932 3717 3.1500014e-11 -Loop time of 0.000684023 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1942 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1943 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1943 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1944 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1944 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1945 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1945 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1946 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1946 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1947 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1947 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1948 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1948 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1949 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1949 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1950 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1950 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1951 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1951 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1952 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1952 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1953 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1953 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1954 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1954 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1955 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1955 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1956 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1956 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1957 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1957 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1958 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1958 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1959 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1959 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1960 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1960 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1961 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000577211 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1961 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1962 0.00061297417 3717 3.1500014e-11 -Loop time of 0.000620842 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1962 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1963 0.00054097176 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1963 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1964 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1964 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1965 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1965 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1966 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1966 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1967 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1967 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1968 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1968 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1969 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1969 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1970 0.00056481361 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1970 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1971 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1971 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1972 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1972 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1973 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1973 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1974 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1974 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1975 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1975 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1976 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1976 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1977 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -102.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1977 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1978 0.00059390068 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1978 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1979 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1979 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1980 0.00059199333 3717 3.1500014e-11 -Loop time of 0.000601053 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1980 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1981 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1981 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1982 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1982 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1983 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1983 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1984 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1984 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1985 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1985 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1986 0.00054597855 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1986 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1987 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1987 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1988 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1988 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1989 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1989 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1990 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1990 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1991 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1991 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1992 0.00057506561 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1992 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1993 0.00058794022 3717 3.1500014e-11 -Loop time of 0.000594854 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1993 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1994 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1994 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1995 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1995 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1996 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1996 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1997 0.00061893463 3717 3.1500014e-11 -Loop time of 0.000629902 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1997 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1998 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1998 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 1999 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 1999 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2000 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2000 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2001 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2001 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2002 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2002 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2003 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2003 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2004 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2004 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2005 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2005 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2006 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2006 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2007 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2007 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2008 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2008 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2009 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2009 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2010 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2010 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2011 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2011 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2012 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2012 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2013 0.00060415268 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2013 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2014 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2014 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2015 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2015 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2016 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2016 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2017 0.0006840229 3717 3.1500014e-11 -Loop time of 0.000696898 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2017 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2018 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2018 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2019 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2019 0 3717 3.1500014e-11 -ssurf = 2.544961e-03 -ssurf2 = 2.739434e-03 -ssurf3 = 2.929546e-03 - 2020 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000610113 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2020 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2021 0.0021791458 3717 3.1500014e-11 -Loop time of 0.00219011 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2021 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2022 0.00073599815 3717 3.1500014e-11 -Loop time of 0.000744104 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2022 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2023 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2023 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2024 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2024 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2025 0.00058197975 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2025 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2026 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2026 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2027 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2027 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2028 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2028 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2029 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2029 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2030 0.00055480003 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2030 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2031 0.00055718422 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2031 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2032 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2032 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2033 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2033 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2034 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2034 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2035 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2035 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2036 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2036 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2037 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2037 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2038 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2038 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2039 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2039 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2040 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2040 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2041 0.00053977966 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2041 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2042 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2042 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2043 0.00058984756 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2043 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2044 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2044 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2045 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2045 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2046 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2046 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2047 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2047 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2048 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2048 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2049 0.00063610077 3717 3.1500014e-11 -Loop time of 0.000645161 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2049 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2050 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2050 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2051 0.00060009956 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2051 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2052 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2052 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2053 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2053 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2054 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2054 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2055 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2055 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2056 0.00061106682 3717 3.1500014e-11 -Loop time of 0.000619888 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2056 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2057 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2057 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2058 0.00054621696 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2058 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2059 0.00059294701 3717 3.1500014e-11 -Loop time of 0.000603914 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2059 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2060 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2060 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2061 0.00057911873 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2061 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2062 0.00051307678 3717 3.1500014e-11 -Loop time of 0.000519991 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2062 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2063 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2063 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2064 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2064 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2065 0.00059986115 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2065 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2066 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2066 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2067 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2067 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2068 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2068 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2069 0.00055718422 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2069 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2070 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2070 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2071 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2071 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2072 0.00061488152 3717 3.1500014e-11 -Loop time of 0.000624895 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2072 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2073 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000549793 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2073 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2074 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2074 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2075 0.00057792664 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2075 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2076 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2076 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2077 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2077 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2078 0.00074887276 3717 3.1500014e-11 -Loop time of 0.000771999 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2078 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2079 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2079 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2080 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2080 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2081 0.0006840229 3717 3.1500014e-11 -Loop time of 0.000695944 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2081 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2082 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2082 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2083 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2083 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2084 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2084 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2085 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2085 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2086 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2086 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2087 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2087 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2088 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2088 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2089 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2089 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2090 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2090 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2091 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2091 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2092 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2092 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2093 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2093 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2094 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2094 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2095 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2095 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2096 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2096 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2097 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2097 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2098 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2098 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2099 0.00067400932 3717 3.1500014e-11 -Loop time of 0.000681877 on 1 procs for 1 steps with 3717 atoms - -87.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2099 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2100 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2100 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2101 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2101 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2102 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2102 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2103 0.00061392784 3717 3.1500014e-11 -Loop time of 0.000621796 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2103 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2104 0.00057911873 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2104 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2105 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2105 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2106 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2106 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2107 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2107 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2108 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2108 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2109 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2109 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2110 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2110 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2111 0.0008251667 3717 3.1500014e-11 -Loop time of 0.000840187 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2111 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2112 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2112 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2113 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2113 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2114 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2114 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2115 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2115 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2116 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2116 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2117 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2117 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2118 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2118 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2119 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2119 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2120 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2120 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739435e-03 -ssurf3 = 2.929547e-03 - 2121 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2121 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2122 0.0022149086 3717 3.1500014e-11 -Loop time of 0.00222588 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2122 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2123 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000573158 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2123 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2124 0.00060105324 3717 3.1500014e-11 -Loop time of 0.00061202 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2124 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2125 0.00055885315 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2125 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2126 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2126 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2127 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2127 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2128 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2128 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2129 0.00059890747 3717 3.1500014e-11 -Loop time of 0.00060606 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2129 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2130 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2130 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2131 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2131 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2132 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2132 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2133 0.00062298775 3717 3.1500014e-11 -Loop time of 0.000630856 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2133 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2134 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -99.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2134 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2135 0.00051403046 3717 3.1500014e-11 -Loop time of 0.000520945 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2135 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2136 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2136 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2137 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000609159 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2137 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2138 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2138 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2139 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2139 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2140 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2140 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2141 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2141 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2142 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2142 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2143 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2143 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2144 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2144 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2145 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2145 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2146 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2146 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2147 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000603914 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2147 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2148 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2148 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2149 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2149 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2150 0.00058579445 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2150 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2151 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2151 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2152 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2152 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2153 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2153 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2154 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2154 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2155 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2155 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2156 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2156 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2157 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2157 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2158 0.00061392784 3717 3.1500014e-11 -Loop time of 0.00062108 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2158 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2159 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2159 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2160 0.00061297417 3717 3.1500014e-11 -Loop time of 0.000638008 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2160 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2161 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2161 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2162 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2162 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2163 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2163 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2164 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2164 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2165 0.00057983398 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2165 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2166 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2166 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2167 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2167 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2168 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2168 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2169 0.00062584877 3717 3.1500014e-11 -Loop time of 0.000634909 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2169 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2170 0.00053286552 3717 3.1500014e-11 -Loop time of 0.00053978 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2170 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2171 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2171 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2172 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2172 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2173 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2173 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2174 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2174 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2175 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2175 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2176 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2176 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2177 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2177 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2178 0.00061488152 3717 3.1500014e-11 -Loop time of 0.000624895 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2178 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2179 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2179 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2180 0.00056409836 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2180 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2181 0.00060105324 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2181 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2182 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2182 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2183 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2183 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2184 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2184 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2185 0.00059294701 3717 3.1500014e-11 -Loop time of 0.0006001 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2185 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2186 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2186 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2187 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2187 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2188 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2188 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2189 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2189 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2190 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2190 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2191 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2191 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2192 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2192 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2193 0.00059080124 3717 3.1500014e-11 -Loop time of 0.000602007 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2193 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2194 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2194 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2195 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2195 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2196 0.00063180923 3717 3.1500014e-11 -Loop time of 0.000639915 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2196 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2197 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2197 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2198 0.00053477287 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2198 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2199 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2199 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2200 0.00056886673 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2200 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2201 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2201 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2202 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2202 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2203 0.00055122375 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2203 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2204 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2204 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2205 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2205 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2206 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2206 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2207 0.00052285194 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2207 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2208 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2208 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2209 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2209 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2210 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2210 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2211 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2211 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2212 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000559807 on 1 procs for 1 steps with 3717 atoms - -99.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2212 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2213 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2213 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2214 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2214 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2215 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2215 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2216 0.00056481361 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2216 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2217 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2217 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2218 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2218 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2219 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2219 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2220 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2220 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2221 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2221 0 3717 3.1500014e-11 -ssurf = 2.544962e-03 -ssurf2 = 2.739436e-03 -ssurf3 = 2.929548e-03 - 2222 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2222 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2223 0.002243042 3717 3.1500014e-11 -Loop time of 0.00225306 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2223 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2224 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2224 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2225 0.00053405762 3717 3.1500014e-11 -Loop time of 0.00054121 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2225 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2226 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2226 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2227 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2227 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2228 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2228 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2229 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2229 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2230 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2230 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2231 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2231 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2232 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2232 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2233 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2233 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2234 0.00051593781 3717 3.1500014e-11 -Loop time of 0.000522852 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2234 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2235 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2235 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2236 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2236 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2237 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000588894 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2237 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2238 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2238 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2239 0.00064086914 3717 3.1500014e-11 -Loop time of 0.000648975 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2239 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2240 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2240 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2241 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2241 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2242 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000588179 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2242 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2243 0.0005838871 3717 3.1500014e-11 -Loop time of 0.000590801 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2243 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2244 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2244 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2245 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2245 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2246 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2246 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2247 0.00061106682 3717 3.1500014e-11 -Loop time of 0.000628948 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2247 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2248 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2248 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2249 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2249 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2250 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000527143 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2250 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2251 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2251 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2252 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2252 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2253 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2253 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2254 0.00063896179 3717 3.1500014e-11 -Loop time of 0.000651121 on 1 procs for 1 steps with 3717 atoms - -99.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2254 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2255 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2255 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2256 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2256 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2257 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2257 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2258 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2258 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2259 0.00064492226 3717 3.1500014e-11 -Loop time of 0.000653028 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2259 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2260 0.00055885315 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2260 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2261 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2261 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2262 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2262 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2263 0.00069403648 3717 3.1500014e-11 -Loop time of 0.000702143 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2263 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2264 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2264 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2265 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2265 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2266 0.00053191185 3717 3.1500014e-11 -Loop time of 0.00053978 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2266 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2267 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2267 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2268 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000619173 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2268 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2269 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2269 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2270 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2270 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2271 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2271 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2272 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2272 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2273 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2273 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2274 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2274 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2275 0.0005941391 3717 3.1500014e-11 -Loop time of 0.000601053 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2275 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2276 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2276 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2277 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2277 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2278 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2278 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2279 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2279 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2280 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2280 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2281 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2281 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2282 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2282 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2283 0.00054883957 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2283 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2284 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000588894 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2284 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2285 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2285 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2286 0.0005941391 3717 3.1500014e-11 -Loop time of 0.000604153 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2286 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2287 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2287 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2288 0.00058794022 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2288 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2289 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2289 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2290 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2290 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2291 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2291 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2292 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2292 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2293 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2293 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2294 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -99.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2294 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2295 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2295 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2296 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2296 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2297 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2297 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2298 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2298 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2299 0.00058221817 3717 3.1500014e-11 -Loop time of 0.000589132 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2299 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2300 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2300 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2301 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2301 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2302 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2302 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2303 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2303 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2304 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2304 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2305 0.00084805489 3717 3.1500014e-11 -Loop time of 0.000856161 on 1 procs for 1 steps with 3717 atoms - -89.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2305 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2306 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546217 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2306 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2307 0.00066781044 3717 3.1500014e-11 -Loop time of 0.000675917 on 1 procs for 1 steps with 3717 atoms - -89.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2307 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2308 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2308 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2309 0.00052189827 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2309 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2310 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2310 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2311 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000531912 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2311 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2312 0.00053620338 3717 3.1500014e-11 -Loop time of 0.000546217 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2312 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2313 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2313 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2314 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2314 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2315 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2315 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2316 0.00053310394 3717 3.1500014e-11 -Loop time of 0.00054121 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2316 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2317 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2317 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2318 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2318 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2319 0.00060582161 3717 3.1500014e-11 -Loop time of 0.000612974 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2319 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2320 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2320 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2321 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2321 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2322 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2322 0 3717 3.1500014e-11 -ssurf = 2.544963e-03 -ssurf2 = 2.739437e-03 -ssurf3 = 2.929549e-03 - 2323 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2323 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2324 0.0024309158 3717 3.1500014e-11 -Loop time of 0.00244093 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2324 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2325 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2325 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2326 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2326 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2327 0.00067520142 3717 3.1500014e-11 -Loop time of 0.000684023 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2327 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2328 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2328 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2329 0.00061798096 3717 3.1500014e-11 -Loop time of 0.000627995 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2329 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2330 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2330 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2331 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2331 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2332 0.00055289268 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2332 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2333 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000604868 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2333 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2334 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2334 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2335 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2335 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2336 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2336 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2337 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2337 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2338 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000542164 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2338 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2339 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2339 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2340 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2340 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2341 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2341 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2342 0.00061678886 3717 3.1500014e-11 -Loop time of 0.000623941 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2342 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2343 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2343 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2344 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2344 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2345 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2345 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2346 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2346 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2347 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2347 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2348 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000534773 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2348 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2349 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2349 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2350 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2350 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2351 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2351 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2352 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2352 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2353 0.00054121017 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2353 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2354 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2354 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2355 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2355 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2356 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2356 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2357 0.00063300133 3717 3.1500014e-11 -Loop time of 0.000645876 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2357 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2358 0.0005838871 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2358 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2359 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2359 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2360 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2360 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2361 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2361 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2362 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2362 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2363 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2363 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2364 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2364 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2365 0.00061702728 3717 3.1500014e-11 -Loop time of 0.000623941 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2365 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2366 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2366 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2367 0.00058197975 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2367 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2368 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2368 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2369 0.00061202049 3717 3.1500014e-11 -Loop time of 0.000620127 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2369 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2370 0.00054788589 3717 3.1500014e-11 -Loop time of 0.0005548 on 1 procs for 1 steps with 3717 atoms - -100.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2370 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2371 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2371 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2372 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2372 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2373 0.00059914589 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2373 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2374 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000582218 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2374 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2375 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2375 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2376 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2376 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2377 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2377 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2378 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2378 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2379 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2379 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2380 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2380 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2381 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2381 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2382 0.00055384636 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2382 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2383 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2383 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2384 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2384 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2385 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2385 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2386 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2386 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2387 0.00060796738 3717 3.1500014e-11 -Loop time of 0.000625849 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2387 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2388 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2388 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2389 0.00058412552 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2389 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2390 0.00058317184 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2390 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2391 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000588179 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2391 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2392 0.00054621696 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2392 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2393 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2393 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2394 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2394 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2395 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2395 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2396 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2396 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2397 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2397 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2398 0.00054192543 3717 3.1500014e-11 -Loop time of 0.00054884 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2398 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2399 0.00056886673 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2399 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2400 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000599146 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2400 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2401 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000605106 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2401 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2402 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2402 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2403 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2403 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2404 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2404 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2405 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2405 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2406 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2406 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2407 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2407 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2408 0.00054979324 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2408 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2409 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2409 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2410 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2410 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2411 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2411 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2412 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2412 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2413 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2413 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2414 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2414 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2415 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2415 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2416 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2416 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2417 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2417 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2418 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2418 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2419 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2419 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2420 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2420 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2421 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2421 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2422 0.0005171299 3717 3.1500014e-11 -Loop time of 0.000524044 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2422 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2423 0.00052976608 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2423 0 3717 3.1500014e-11 -ssurf = 2.544964e-03 -ssurf2 = 2.739438e-03 -ssurf3 = 2.929550e-03 - 2424 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2424 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2425 0.002218008 3717 3.1500014e-11 -Loop time of 0.00222683 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2425 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2426 0.00051498413 3717 3.1500014e-11 -Loop time of 0.000522137 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2426 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2427 0.00064706802 3717 3.1500014e-11 -Loop time of 0.000654936 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2427 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2428 0.00060510635 3717 3.1500014e-11 -Loop time of 0.000616074 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2428 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2429 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2429 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2430 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2430 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2431 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000574827 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2431 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2432 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2432 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2433 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2433 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2434 0.00056886673 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2434 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2435 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2435 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2436 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2436 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2437 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2437 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2438 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2438 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2439 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2439 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2440 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2440 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2441 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2441 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2442 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2442 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2443 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2443 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2444 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2444 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2445 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2445 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2446 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2446 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2447 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000588179 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2447 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2448 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2448 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2449 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2449 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2450 0.00057315826 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2450 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2451 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2451 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2452 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2452 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2453 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2453 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2454 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2454 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2455 0.00058579445 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2455 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2456 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2456 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2457 0.00059485435 3717 3.1500014e-11 -Loop time of 0.000604868 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2457 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2458 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2458 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2459 0.00053620338 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2459 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2460 0.00060892105 3717 3.1500014e-11 -Loop time of 0.000617027 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2460 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2461 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2461 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2462 0.00062704086 3717 3.1500014e-11 -Loop time of 0.000644922 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2462 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2463 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2463 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2464 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2464 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2465 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2465 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2466 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2466 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2467 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000573158 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2467 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2468 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2468 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2469 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2469 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2470 0.00060296059 3717 3.1500014e-11 -Loop time of 0.000611067 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2470 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2471 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2471 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2472 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2472 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2473 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2473 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2474 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2474 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2475 0.00059890747 3717 3.1500014e-11 -Loop time of 0.000608921 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2475 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2476 0.00085687637 3717 3.1500014e-11 -Loop time of 0.000878096 on 1 procs for 1 steps with 3717 atoms - -99.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2476 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2477 0.00063705444 3717 3.1500014e-11 -Loop time of 0.000649214 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2477 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2478 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2478 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2479 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000526905 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2479 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2480 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000551224 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2480 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2481 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2481 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2482 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2482 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2483 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2483 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2484 0.00055885315 3717 3.1500014e-11 -Loop time of 0.00056982 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2484 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2485 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2485 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2486 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2486 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2487 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2487 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2488 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2488 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2489 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2489 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2490 0.00055885315 3717 3.1500014e-11 -Loop time of 0.000574827 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2490 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2491 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2491 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2492 0.00061202049 3717 3.1500014e-11 -Loop time of 0.000623941 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2492 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2493 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2493 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2494 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2494 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2495 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2495 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2496 0.00065493584 3717 3.1500014e-11 -Loop time of 0.00066781 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2496 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2497 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2497 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2498 0.00061798096 3717 3.1500014e-11 -Loop time of 0.000626087 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2498 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2499 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2499 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2500 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2500 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2501 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2501 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2502 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2502 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2503 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2503 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2504 0.00065803528 3717 3.1500014e-11 -Loop time of 0.000677109 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2504 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2505 0.00063514709 3717 3.1500014e-11 -Loop time of 0.000643969 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2505 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2506 0.00074005127 3717 3.1500014e-11 -Loop time of 0.000748158 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2506 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2507 0.00054717064 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2507 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2508 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2508 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2509 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2509 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2510 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2510 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2511 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2511 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2512 0.00059294701 3717 3.1500014e-11 -Loop time of 0.000605106 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2512 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2513 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2513 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2514 0.00052881241 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2514 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2515 0.00055718422 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2515 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2516 0.00062608719 3717 3.1500014e-11 -Loop time of 0.000634193 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2516 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2517 0.00058412552 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2517 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2518 0.00057888031 3717 3.1500014e-11 -Loop time of 0.000590801 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2518 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2519 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2519 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2520 0.0005338192 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2520 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2521 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2521 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2522 0.00059008598 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2522 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2523 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2523 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2524 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2524 0 3717 3.1500014e-11 -ssurf = 2.544965e-03 -ssurf2 = 2.739439e-03 -ssurf3 = 2.929551e-03 - 2525 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2525 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2526 0.0022411346 3717 3.1500014e-11 -Loop time of 0.00225115 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2526 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2527 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2527 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2528 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000578165 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2528 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2529 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000578165 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2529 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2530 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2530 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2531 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000529051 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2531 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2532 0.00066900253 3717 3.1500014e-11 -Loop time of 0.000679016 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2532 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2533 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2533 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2534 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2534 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2535 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2535 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2536 0.0005261898 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2536 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2537 0.00067687035 3717 3.1500014e-11 -Loop time of 0.00068593 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2537 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2538 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2538 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2539 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2539 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2540 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2540 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2541 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2541 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2542 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000567198 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2542 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2543 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2543 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2544 0.00060892105 3717 3.1500014e-11 -Loop time of 0.000617981 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2544 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2545 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2545 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2546 0.00060796738 3717 3.1500014e-11 -Loop time of 0.000615835 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2546 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2547 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2547 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2548 0.00061583519 3717 3.1500014e-11 -Loop time of 0.000624895 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2548 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2549 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2549 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2550 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000578165 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2550 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2551 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2551 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2552 0.00054478645 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2552 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2553 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2553 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2554 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2554 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2555 0.00072002411 3717 3.1500014e-11 -Loop time of 0.000727177 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2555 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2556 0.0005710125 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2556 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2557 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2557 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2558 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2558 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2559 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2559 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2560 0.00059485435 3717 3.1500014e-11 -Loop time of 0.000605822 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2560 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2561 0.0005838871 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2561 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2562 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000562191 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2562 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2563 0.00067305565 3717 3.1500014e-11 -Loop time of 0.000683069 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2563 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2564 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2564 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2565 0.00058412552 3717 3.1500014e-11 -Loop time of 0.000601053 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2565 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2566 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2566 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2567 0.00051212311 3717 3.1500014e-11 -Loop time of 0.000519037 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2567 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2568 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2568 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2569 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2569 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2570 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2570 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2571 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2571 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2572 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2572 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2573 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2573 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2574 0.00055885315 3717 3.1500014e-11 -Loop time of 0.00056982 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2574 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2575 0.00066685677 3717 3.1500014e-11 -Loop time of 0.000674963 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2575 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2576 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2576 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2577 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2577 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2578 0.00059604645 3717 3.1500014e-11 -Loop time of 0.000602961 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2578 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2579 0.00061202049 3717 3.1500014e-11 -Loop time of 0.000622034 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2579 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2580 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2580 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2581 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2581 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2582 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2582 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2583 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2583 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2584 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2584 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2585 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2585 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2586 0.00059986115 3717 3.1500014e-11 -Loop time of 0.000608921 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2586 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2587 0.0005838871 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2587 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2588 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2588 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2589 0.00057196617 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2589 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2590 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2590 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2591 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2591 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2592 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2592 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2593 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2593 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2594 0.00059890747 3717 3.1500014e-11 -Loop time of 0.000605822 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2594 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2595 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2595 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2596 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2596 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2597 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2597 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2598 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2598 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2599 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2599 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2600 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2600 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2601 0.00056576729 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2601 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2602 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2602 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2603 0.00060606003 3717 3.1500014e-11 -Loop time of 0.00062418 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2603 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2604 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2604 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2605 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2605 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2606 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2606 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2607 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -102.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2607 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2608 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2608 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2609 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2609 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2610 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2610 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2611 0.00064206123 3717 3.1500014e-11 -Loop time of 0.000653028 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2611 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2612 0.00055885315 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2612 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2613 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2613 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2614 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2614 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2615 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2615 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2616 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2616 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2617 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2617 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2618 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2618 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2619 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2619 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2620 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2620 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2621 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2621 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2622 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2622 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2623 0.00065398216 3717 3.1500014e-11 -Loop time of 0.000662088 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2623 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2624 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2624 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2625 0.00069713593 3717 3.1500014e-11 -Loop time of 0.000708103 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2625 0 3717 3.1500014e-11 -ssurf = 2.544966e-03 -ssurf2 = 2.739440e-03 -ssurf3 = 2.929553e-03 - 2626 0.00064015388 3717 3.1500014e-11 -Loop time of 0.000647068 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2626 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2627 0.0023069382 3717 3.1500014e-11 -Loop time of 0.00232196 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2627 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2628 0.000882864 3717 3.1500014e-11 -Loop time of 0.000891924 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2628 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2629 0.00058102608 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2629 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2630 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2630 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2631 0.00050997734 3717 3.1500014e-11 -Loop time of 0.000516891 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2631 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2632 0.00065112114 3717 3.1500014e-11 -Loop time of 0.000663042 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2632 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2633 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2633 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2634 0.0005569458 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2634 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2635 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2635 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2636 0.00058317184 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2636 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2637 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2637 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2638 0.00083708763 3717 3.1500014e-11 -Loop time of 0.000849009 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2638 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2639 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2639 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2640 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2640 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2641 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2641 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2642 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2642 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2643 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2643 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2644 0.00062203407 3717 3.1500014e-11 -Loop time of 0.000636101 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2644 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2645 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2645 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2646 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2646 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2647 0.00061178207 3717 3.1500014e-11 -Loop time of 0.000619888 on 1 procs for 1 steps with 3717 atoms - -94.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2647 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2648 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2648 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2649 0.00055789948 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2649 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2650 0.00058102608 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2650 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2651 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2651 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2652 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2652 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2653 0.00064897537 3717 3.1500014e-11 -Loop time of 0.000658989 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2653 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2654 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2654 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2655 0.00056409836 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2655 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2656 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000547171 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2656 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2657 0.0007879734 3717 3.1500014e-11 -Loop time of 0.000795841 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2657 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2658 0.00062012672 3717 3.1500014e-11 -Loop time of 0.000627041 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2658 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2659 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2659 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2660 0.00093817711 3717 3.1500014e-11 -Loop time of 0.000946999 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2660 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2661 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2661 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2662 0.00073194504 3717 3.1500014e-11 -Loop time of 0.000739813 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2662 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2663 0.00067591667 3717 3.1500014e-11 -Loop time of 0.000683069 on 1 procs for 1 steps with 3717 atoms - -87.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2663 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2664 0.0007250309 3717 3.1500014e-11 -Loop time of 0.000737906 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2664 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2665 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2665 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2666 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2666 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2667 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2667 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2668 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2668 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2669 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2669 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2670 0.00055813789 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2670 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2671 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2671 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2672 0.00057196617 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2672 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2673 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000553846 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2673 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2674 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2674 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2675 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000588179 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2675 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2676 0.0006248951 3717 3.1500014e-11 -Loop time of 0.000633001 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2676 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2677 0.00078105927 3717 3.1500014e-11 -Loop time of 0.000792027 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2677 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2678 0.00058484077 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2678 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2679 0.00059580803 3717 3.1500014e-11 -Loop time of 0.000605822 on 1 procs for 1 steps with 3717 atoms - -99.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2679 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2680 0.00069403648 3717 3.1500014e-11 -Loop time of 0.000702858 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2680 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2681 0.00058603287 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2681 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2682 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000583172 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2682 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2683 0.00057888031 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2683 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2684 0.00081300735 3717 3.1500014e-11 -Loop time of 0.000823021 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2684 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2685 0.00060081482 3717 3.1500014e-11 -Loop time of 0.000610828 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2685 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2686 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2686 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2687 0.00055122375 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2687 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2688 0.00055885315 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2688 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2689 0.00058817863 3717 3.1500014e-11 -Loop time of 0.000596046 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2689 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2690 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2690 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2691 0.00074195862 3717 3.1500014e-11 -Loop time of 0.000753164 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2691 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2692 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2692 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2693 0.00065398216 3717 3.1500014e-11 -Loop time of 0.000662088 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2693 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2694 0.00060892105 3717 3.1500014e-11 -Loop time of 0.000622034 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2694 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2695 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2695 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2696 0.00060319901 3717 3.1500014e-11 -Loop time of 0.000611067 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2696 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2697 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2697 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2698 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2698 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2699 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2699 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2700 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2700 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2701 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2701 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2702 0.00057411194 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2702 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2703 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2703 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2704 0.00080609322 3717 3.1500014e-11 -Loop time of 0.000818014 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2704 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2705 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2705 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2706 0.00053620338 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2706 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2707 0.00062394142 3717 3.1500014e-11 -Loop time of 0.000633955 on 1 procs for 1 steps with 3717 atoms - -101.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2707 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2708 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2708 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2709 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2709 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2710 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2710 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2711 0.00063586235 3717 3.1500014e-11 -Loop time of 0.00064683 on 1 procs for 1 steps with 3717 atoms - -90.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2711 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2712 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2712 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2713 0.0005531311 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2713 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2714 0.00070309639 3717 3.1500014e-11 -Loop time of 0.000710011 on 1 procs for 1 steps with 3717 atoms - -89.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2714 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2715 0.00059008598 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2715 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2716 0.00070905685 3717 3.1500014e-11 -Loop time of 0.00072217 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2716 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2717 0.00076508522 3717 3.1500014e-11 -Loop time of 0.000774145 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2717 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2718 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2718 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2719 0.00058913231 3717 3.1500014e-11 -Loop time of 0.0006001 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2719 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2720 0.0005710125 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2720 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2721 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2721 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2722 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2722 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2723 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2723 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2724 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2724 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2725 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2725 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2726 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2726 0 3717 3.1500014e-11 -ssurf = 2.544967e-03 -ssurf2 = 2.739441e-03 -ssurf3 = 2.929554e-03 - 2727 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2727 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2728 0.0022611618 3717 3.1500014e-11 -Loop time of 0.00226998 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2728 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2729 0.00058794022 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2729 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2730 0.00077795982 3717 3.1500014e-11 -Loop time of 0.00078702 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2730 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2731 0.00059103966 3717 3.1500014e-11 -Loop time of 0.000604153 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2731 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2732 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2732 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2733 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2733 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2734 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000562191 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2734 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2735 0.00057411194 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2735 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2736 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2736 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2737 0.00067090988 3717 3.1500014e-11 -Loop time of 0.000689983 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2737 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2738 0.0005569458 3717 3.1500014e-11 -Loop time of 0.000564814 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2738 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2739 0.0006070137 3717 3.1500014e-11 -Loop time of 0.000618935 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2739 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2740 0.00057816505 3717 3.1500014e-11 -Loop time of 0.000588179 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2740 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2741 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2741 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2742 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000555992 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2742 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2743 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2743 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2744 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2744 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2745 0.00052785873 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2745 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2746 0.00060296059 3717 3.1500014e-11 -Loop time of 0.000611067 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2746 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2747 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2747 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2748 0.00057482719 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2748 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2749 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -98.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2749 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2750 0.00058102608 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2750 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2751 0.0007109642 3717 3.1500014e-11 -Loop time of 0.000720024 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2751 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2752 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000573158 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2752 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2753 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2753 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2754 0.00069117546 3717 3.1500014e-11 -Loop time of 0.000699997 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2754 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2755 0.0006210804 3717 3.1500014e-11 -Loop time of 0.000627995 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2755 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2756 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000568867 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2756 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2757 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2757 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2758 0.00055980682 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2758 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2759 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000563145 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2759 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2760 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2760 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2761 0.00076007843 3717 3.1500014e-11 -Loop time of 0.000771046 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2761 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2762 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2762 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2763 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2763 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2764 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2764 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2765 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2765 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2766 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2766 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2767 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2767 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2768 0.00057816505 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2768 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2769 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2769 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2770 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2770 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2771 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2771 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2772 0.00051903725 3717 3.1500014e-11 -Loop time of 0.000525951 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2772 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2773 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2773 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2774 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2774 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2775 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2775 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2776 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000574112 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2776 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2777 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000591993 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2777 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2778 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2778 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2779 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2779 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2780 0.00059890747 3717 3.1500014e-11 -Loop time of 0.000607967 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2780 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2781 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000614882 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2781 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2782 0.00052309036 3717 3.1500014e-11 -Loop time of 0.000530005 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2782 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2783 0.00056791306 3717 3.1500014e-11 -Loop time of 0.00057888 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2783 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2784 0.00056910515 3717 3.1500014e-11 -Loop time of 0.000576019 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2784 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2785 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2785 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2786 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2786 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2787 0.00061202049 3717 3.1500014e-11 -Loop time of 0.000622988 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2787 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2788 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2788 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2789 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2789 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2790 0.00062584877 3717 3.1500014e-11 -Loop time of 0.000642776 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2790 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2791 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2791 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2792 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2792 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2793 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2793 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2794 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2794 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2795 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2795 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2796 0.00062012672 3717 3.1500014e-11 -Loop time of 0.000631094 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2796 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2797 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000582933 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2797 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2798 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2798 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2799 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2799 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2800 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2800 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2801 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2801 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2802 0.00055503845 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2802 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2803 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000580788 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2803 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2804 0.00061011314 3717 3.1500014e-11 -Loop time of 0.000619888 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2804 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2805 0.00067615509 3717 3.1500014e-11 -Loop time of 0.000687122 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2805 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2806 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2806 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2807 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2807 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2808 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2808 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2809 0.00061202049 3717 3.1500014e-11 -Loop time of 0.000618935 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2809 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2810 0.0006570816 3717 3.1500014e-11 -Loop time of 0.000664949 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2810 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2811 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2811 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2812 0.00060987473 3717 3.1500014e-11 -Loop time of 0.000619888 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2812 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2813 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2813 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2814 0.00058293343 3717 3.1500014e-11 -Loop time of 0.000590801 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2814 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2815 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2815 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2816 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000568151 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2816 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2817 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2817 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2818 0.00071001053 3717 3.1500014e-11 -Loop time of 0.000720024 on 1 procs for 1 steps with 3717 atoms - -98.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2818 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2819 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2819 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2820 0.00059700012 3717 3.1500014e-11 -Loop time of 0.000607014 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2820 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2821 0.00063896179 3717 3.1500014e-11 -Loop time of 0.000647068 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2821 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2822 0.00080704689 3717 3.1500014e-11 -Loop time of 0.000821114 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2822 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2823 0.00057220459 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2823 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2824 0.00053310394 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2824 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2825 0.00077581406 3717 3.1500014e-11 -Loop time of 0.00078392 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2825 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2826 0.0007121563 3717 3.1500014e-11 -Loop time of 0.000721216 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2826 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2827 0.00054383278 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2827 0 3717 3.1500014e-11 -ssurf = 2.544968e-03 -ssurf2 = 2.739442e-03 -ssurf3 = 2.929555e-03 - 2828 0.00055217743 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2828 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2829 0.0022721291 3717 3.1500014e-11 -Loop time of 0.0022831 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2829 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2830 0.00062394142 3717 3.1500014e-11 -Loop time of 0.000633001 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2830 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2831 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2831 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2832 0.00063419342 3717 3.1500014e-11 -Loop time of 0.000644207 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2832 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2833 0.00078296661 3717 3.1500014e-11 -Loop time of 0.000793934 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2833 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2834 0.00058889389 3717 3.1500014e-11 -Loop time of 0.000595808 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2834 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2835 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2835 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2836 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000553131 on 1 procs for 1 steps with 3717 atoms - -101.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2836 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2837 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000579834 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2837 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2838 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2838 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2839 0.00061106682 3717 3.1500014e-11 -Loop time of 0.000622034 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2839 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2840 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2840 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2841 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2841 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2842 0.00058984756 3717 3.1500014e-11 -Loop time of 0.000597954 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2842 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2843 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2843 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2844 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000574827 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2844 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2845 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2845 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2846 0.00053691864 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2846 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2847 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2847 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2848 0.0005800724 3717 3.1500014e-11 -Loop time of 0.00059104 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2848 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2849 0.00067281723 3717 3.1500014e-11 -Loop time of 0.000680923 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2849 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2850 0.00054502487 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2850 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2851 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2851 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2852 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2852 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2853 0.00058507919 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2853 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2854 0.00053906441 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2854 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2855 0.00061511993 3717 3.1500014e-11 -Loop time of 0.000622988 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2855 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2856 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2856 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2857 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2857 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2858 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2858 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2859 0.00064086914 3717 3.1500014e-11 -Loop time of 0.000648022 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2859 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2860 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2860 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2861 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000571966 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2861 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2862 0.00054311752 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2862 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2863 0.00054216385 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2863 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2864 0.00052499771 3717 3.1500014e-11 -Loop time of 0.00053215 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2864 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2865 0.0007610321 3717 3.1500014e-11 -Loop time of 0.000773907 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2865 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2866 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2866 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2867 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2867 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2868 0.00055599213 3717 3.1500014e-11 -Loop time of 0.000564098 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2868 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2869 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000566006 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2869 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2870 0.00056195259 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2870 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2871 0.00054121017 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2871 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2872 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2872 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2873 0.00056385994 3717 3.1500014e-11 -Loop time of 0.000570774 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2873 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2874 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2874 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2875 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000538826 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2875 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2876 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2876 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2877 0.00057506561 3717 3.1500014e-11 -Loop time of 0.000584126 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2877 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2878 0.00051808357 3717 3.1500014e-11 -Loop time of 0.000524998 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2878 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2879 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000544071 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2879 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2880 0.00055909157 3717 3.1500014e-11 -Loop time of 0.000569105 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2880 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2881 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2881 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2882 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2882 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2883 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2883 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2884 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2884 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2885 0.00055193901 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2885 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2886 0.00054788589 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2886 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2887 0.00058913231 3717 3.1500014e-11 -Loop time of 0.000597 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2887 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2888 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2888 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2889 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2889 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2890 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2890 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2891 0.00057601929 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2891 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2892 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2892 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2893 0.00052595139 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2893 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2894 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2894 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2895 0.00052404404 3717 3.1500014e-11 -Loop time of 0.000531197 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2895 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2896 0.00053286552 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2896 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2897 0.00051999092 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2897 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2898 0.00055599213 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -101.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2898 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2899 0.00060200691 3717 3.1500014e-11 -Loop time of 0.000609159 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2899 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2900 0.00051593781 3717 3.1500014e-11 -Loop time of 0.00052309 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2900 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2901 0.00053501129 3717 3.1500014e-11 -Loop time of 0.000543118 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2901 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2902 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2902 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2903 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2903 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2904 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2904 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2905 0.00056099892 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2905 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2906 0.00054812431 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2906 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2907 0.00056600571 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2907 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2908 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2908 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2909 0.00054788589 3717 3.1500014e-11 -Loop time of 0.0005548 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2909 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2910 0.00053715706 3717 3.1500014e-11 -Loop time of 0.000545025 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2910 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2911 0.00055480003 3717 3.1500014e-11 -Loop time of 0.000562906 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2911 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2912 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2912 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2913 0.00058698654 3717 3.1500014e-11 -Loop time of 0.000598907 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2913 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2914 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000547886 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2914 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2915 0.00068187714 3717 3.1500014e-11 -Loop time of 0.000693083 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2915 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2916 0.00056195259 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2916 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2917 0.0005300045 3717 3.1500014e-11 -Loop time of 0.000537157 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2917 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2918 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2918 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2919 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000543833 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2919 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2920 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2920 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2921 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000539064 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2921 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2922 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000565052 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2922 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2923 0.00056290627 3717 3.1500014e-11 -Loop time of 0.00057292 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2923 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2924 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2924 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2925 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2925 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2926 0.0005428791 3717 3.1500014e-11 -Loop time of 0.000550032 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2926 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2927 0.00053787231 3717 3.1500014e-11 -Loop time of 0.000544786 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2927 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2928 0.0005710125 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2928 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739443e-03 -ssurf3 = 2.929556e-03 - 2929 0.00052380562 3717 3.1500014e-11 -Loop time of 0.000530958 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2929 0 3717 3.1500014e-11 -number of iterations: 1 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2930 0.0021619797 3717 3.1500014e-11 -Loop time of 0.00217104 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2930 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2931 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2931 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2932 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000573158 on 1 procs for 1 steps with 3717 atoms - -0.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2932 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2933 0.00054788589 3717 3.1500014e-11 -Loop time of 0.0005548 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2933 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2934 0.00058102608 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2934 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2935 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558853 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2935 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2936 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000557184 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2936 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2937 0.00073504448 3717 3.1500014e-11 -Loop time of 0.000746965 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2937 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2938 0.00072002411 3717 3.1500014e-11 -Loop time of 0.000732899 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2938 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2939 0.00057411194 3717 3.1500014e-11 -Loop time of 0.000585079 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2939 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2940 0.00052499771 3717 3.1500014e-11 -Loop time of 0.000532866 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2940 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2941 0.00053477287 3717 3.1500014e-11 -Loop time of 0.000541925 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2941 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2942 0.00057888031 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2942 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2943 0.00057315826 3717 3.1500014e-11 -Loop time of 0.000581026 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2943 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2944 0.00057888031 3717 3.1500014e-11 -Loop time of 0.000588894 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2944 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2945 0.00057005882 3717 3.1500014e-11 -Loop time of 0.000576973 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2945 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2946 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2946 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2947 0.00056815147 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2947 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2948 0.00074005127 3717 3.1500014e-11 -Loop time of 0.000751972 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2948 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2949 0.00057196617 3717 3.1500014e-11 -Loop time of 0.00058198 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2949 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2950 0.00055408478 3717 3.1500014e-11 -Loop time of 0.000561953 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2950 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2951 0.00056505203 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2951 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2952 0.00064611435 3717 3.1500014e-11 -Loop time of 0.000655174 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2952 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2953 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2953 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2954 0.0006711483 3717 3.1500014e-11 -Loop time of 0.000679016 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2954 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2955 0.00062298775 3717 3.1500014e-11 -Loop time of 0.000634193 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2955 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2956 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000527859 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2956 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2957 0.00057983398 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2957 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2958 0.00057888031 3717 3.1500014e-11 -Loop time of 0.000585794 on 1 procs for 1 steps with 3717 atoms - -101.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2958 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2959 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535011 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2959 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2960 0.00065803528 3717 3.1500014e-11 -Loop time of 0.000665903 on 1 procs for 1 steps with 3717 atoms - -100.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2960 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2961 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2961 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2962 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2962 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2963 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2963 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2964 0.0005209446 3717 3.1500014e-11 -Loop time of 0.000528097 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2964 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2965 0.00071716309 3717 3.1500014e-11 -Loop time of 0.000725031 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2965 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2966 0.00054192543 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2966 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2967 0.00078892708 3717 3.1500014e-11 -Loop time of 0.000798941 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2967 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2968 0.00053191185 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2968 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2969 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000573874 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2969 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2970 0.00056695938 3717 3.1500014e-11 -Loop time of 0.000575066 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2970 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2971 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000560999 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2971 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2972 0.00061798096 3717 3.1500014e-11 -Loop time of 0.000626087 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2972 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2973 0.00055980682 3717 3.1500014e-11 -Loop time of 0.000567913 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2973 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2974 0.00055003166 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2974 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2975 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000551939 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2975 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2976 0.00053882599 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2976 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2977 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000557899 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2977 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2978 0.00051808357 3717 3.1500014e-11 -Loop time of 0.00052619 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2978 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2979 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000550985 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2979 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2980 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2980 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2981 0.00062704086 3717 3.1500014e-11 -Loop time of 0.000638962 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2981 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2982 0.00057291985 3717 3.1500014e-11 -Loop time of 0.000588894 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2982 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2983 0.00058484077 3717 3.1500014e-11 -Loop time of 0.000593901 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2983 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2984 0.00054001808 3717 3.1500014e-11 -Loop time of 0.000546932 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2984 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2985 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -97.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2985 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2986 0.00053119659 3717 3.1500014e-11 -Loop time of 0.000538111 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2986 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2987 0.00052809715 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2987 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2988 0.00074005127 3717 3.1500014e-11 -Loop time of 0.000751019 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2988 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2989 0.00056791306 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2989 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2990 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000536919 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2990 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2991 0.00056004524 3717 3.1500014e-11 -Loop time of 0.000566959 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2991 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2992 0.0005671978 3717 3.1500014e-11 -Loop time of 0.000587225 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2992 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2993 0.00056314468 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2993 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2994 0.00052714348 3717 3.1500014e-11 -Loop time of 0.000534058 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2994 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2995 0.0006608963 3717 3.1500014e-11 -Loop time of 0.00067091 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2995 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2996 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2996 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2997 0.00056219101 3717 3.1500014e-11 -Loop time of 0.000570059 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2997 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2998 0.0005800724 3717 3.1500014e-11 -Loop time of 0.000586987 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2998 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 2999 0.00056290627 3717 3.1500014e-11 -Loop time of 0.000571012 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 2999 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3000 0.00055289268 3717 3.1500014e-11 -Loop time of 0.000560045 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3000 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3001 0.00055599213 3717 3.1500014e-11 -Loop time of 0.00056386 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3001 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3002 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000580072 on 1 procs for 1 steps with 3717 atoms - -98.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3002 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3003 0.00061011314 3717 3.1500014e-11 -Loop time of 0.000617981 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3003 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3004 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3004 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3005 0.00053286552 3717 3.1500014e-11 -Loop time of 0.00053978 on 1 procs for 1 steps with 3717 atoms - -98.7% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3005 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3006 0.00052690506 3717 3.1500014e-11 -Loop time of 0.000533819 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3006 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3007 0.00053811073 3717 3.1500014e-11 -Loop time of 0.000545979 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3007 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3008 0.00057721138 3717 3.1500014e-11 -Loop time of 0.000594139 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3008 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3009 0.00054693222 3717 3.1500014e-11 -Loop time of 0.000555038 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3009 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3010 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000558138 on 1 procs for 1 steps with 3717 atoms - -101.9% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3010 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3011 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000549078 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3011 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3012 0.00055098534 3717 3.1500014e-11 -Loop time of 0.000556946 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3012 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3013 0.00057196617 3717 3.1500014e-11 -Loop time of 0.000579119 on 1 procs for 1 steps with 3717 atoms - -101.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3013 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3014 0.00068187714 3717 3.1500014e-11 -Loop time of 0.000693083 on 1 procs for 1 steps with 3717 atoms - -100.1% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3014 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3015 0.00052905083 3717 3.1500014e-11 -Loop time of 0.000535965 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3015 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3016 0.00058317184 3717 3.1500014e-11 -Loop time of 0.000590086 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3016 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3017 0.00053596497 3717 3.1500014e-11 -Loop time of 0.000542879 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3017 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3018 0.00057792664 3717 3.1500014e-11 -Loop time of 0.000586033 on 1 procs for 1 steps with 3717 atoms - -98.6% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3018 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3019 0.00053405762 3717 3.1500014e-11 -Loop time of 0.000540972 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3019 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3020 0.00054097176 3717 3.1500014e-11 -Loop time of 0.000548124 on 1 procs for 1 steps with 3717 atoms - -98.3% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3020 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3021 0.00054597855 3717 3.1500014e-11 -Loop time of 0.000552893 on 1 procs for 1 steps with 3717 atoms - -98.8% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3021 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3022 0.00057697296 3717 3.1500014e-11 -Loop time of 0.000583887 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3022 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3023 0.00058197975 3717 3.1500014e-11 -Loop time of 0.000592947 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3023 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3024 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000554085 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3024 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3025 0.00053095818 3717 3.1500014e-11 -Loop time of 0.000537872 on 1 procs for 1 steps with 3717 atoms - -98.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3025 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3026 0.00057077408 3717 3.1500014e-11 -Loop time of 0.000577927 on 1 procs for 1 steps with 3717 atoms - -100.2% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3026 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3027 0.0005440712 3717 3.1500014e-11 -Loop time of 0.000552177 on 1 procs for 1 steps with 3717 atoms - -100.0% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3027 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3028 0.00053215027 3717 3.1500014e-11 -Loop time of 0.000540018 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3028 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3029 0.00054907799 3717 3.1500014e-11 -Loop time of 0.000559092 on 1 procs for 1 steps with 3717 atoms - -100.5% CPU use with 1 MPI tasks x no OpenMP threads -run 1 pre no post no -Step CPU Atoms biomass - 3029 0 3717 3.1500014e-11 -ssurf = 2.544969e-03 -ssurf2 = 2.739444e-03 -ssurf3 = 2.929557e-03 - 3030 0.0005800724 3717 3.1500014e-11 -Loop time of 0.00058794 on 1 procs for 1 steps with 3717 atoms - -100.4% CPU use with 1 MPI tasks x no OpenMP threads -Total wall time: 2:51:57 diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/controlDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/controlDict deleted file mode 100644 index c16892844..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/controlDict +++ /dev/null @@ -1,55 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom startTime; - -startTime 0; - -stopAt endTime; - -endTime 0.01; - -deltaT 0.0001; - -writeControl runTime; - -writeInterval 0.005; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/controlDiffDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/controlDiffDict deleted file mode 100644 index bcd38160b..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/controlDiffDict +++ /dev/null @@ -1,87 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom latestTime; - -startTime 0; - -stopAt endTime; - -endTime 30; - -deltaT 0.001; - -writeControl runTime; - -writeInterval 0.5; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -functions -{ - probes - { - type probes; - functionObjectLibs ("libsampling.so"); - outputControl timeStep; - outputInterval 1; - probeLocations - ( - (0.02 0.002 0.003) - (0.02 0.16 0.003) - (0.01 0.002 0.003) - (0.01 0.16 0.003) - (0.002 0.002 0.003) - (0.002 0.16 0.003) - (0.002 0.04 0.003) - (0.038 0.002 0.003) - (0.038 0.04 0.003) - (0.03 0.002 0.003) - (0.03 0.04 0.003) - ); - fields - ( - p - Ub - ); - } - -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/decomposeParDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/decomposeParDict deleted file mode 100644 index 5a9285d12..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/decomposeParDict +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 1; - -method simple; - -simpleCoeffs -{ - n (1 1 1); - delta 0.001; -} - -hierarchicalCoeffs -{ - n (1 1 1); - delta 0.001; - order xyz; -} - -metisCoeffs -{ -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/fvSchemes b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/fvSchemes deleted file mode 100644 index 72f613d59..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/fvSchemes +++ /dev/null @@ -1,77 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSchemes; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; -} - -divSchemes -{ - default none; - div(phia,Ua) Gauss limitedLinearV 1; - div(phib,Ub) Gauss limitedLinearV 1; - div(phib,k) Gauss limitedLinear 1; - div(phib,epsilon) Gauss limitedLinear 1; - div(phi,alpha) Gauss limitedLinear01 1; - div((-nuEffa*grad(Ua).T())) Gauss linear; - div((-nuEffb*grad(Ub).T())) Gauss linear; - div(((beta*nuEff)*dev2(T(grad(Ub))))) Gauss linear; -} - -laplacianSchemes -{ - default none; - laplacian(nuEffa,Ua) Gauss linear corrected; - laplacian(nuEffb,Ub) Gauss linear corrected; - laplacian((rho*(1|A(U))),p) Gauss linear corrected; - laplacian(1,alpha) Gauss linear corrected; - laplacian(DT,tempDiffScalar) Gauss linear corrected; - laplacian(DT,tempDiffVector) Gauss linear corrected; - laplacian((beta*nuEff),Ub) Gauss linear corrected; -} - -interpolationSchemes -{ - default linear; -} - -snGradSchemes -{ - default corrected; -} - -fluxRequired -{ - default no; - p; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/fvSolution b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/fvSolution deleted file mode 100644 index 9ea78fdc3..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-f3/system/fvSolution +++ /dev/null @@ -1,123 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSolution; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -solvers -{ -p -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -Ua -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -Ub -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -alpha -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -tempDiffScalar -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -tempDiffVector -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -beta -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -k -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -epsilon -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -} - -PISO -{ - nCorrectors 2; - nNonOrthogonalCorrectors 0; - nAlphaCorr 2; - correctAlpha no; - pRefCell 0; - pRefValue 0; -} - -SIMPLE -{ - nNonOrthogonalCorrectors 0; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/Ub b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/Ub deleted file mode 100644 index a05ac99ec..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/Ub +++ /dev/null @@ -1,71 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ub; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - type fixedValue; - value uniform (0 0 0); - } - - top - { - type fixedValue; - value uniform (-0.00162037 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/alpha b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/alpha deleted file mode 100644 index b80b4ed81..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/alpha +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object alpha; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/epsilon b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/epsilon deleted file mode 100644 index d35aad5f4..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/epsilon +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object epsilon; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.1; - -boundaryField -{ - top - { - type fixedValue; - value uniform 0.1; - } - - bottom - { - type inletOutlet; - inletValue uniform 0.1; - value uniform 0.1; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/k b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/k deleted file mode 100644 index de84af62c..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/k +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object k; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 1e-8; - -boundaryField -{ - top - { - type fixedValue; - value uniform 1e-8; - } - - bottom - { - type inletOutlet; - inletValue uniform 1e-8; - value uniform 1e-8; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/nut b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/nut deleted file mode 100644 index 2ec671ca4..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/nut +++ /dev/null @@ -1,78 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object nut; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type calculated; - value uniform 0.0; - } - - bottom - { - type calculated; - value uniform 0.0; - } - - right - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - - left - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/p b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/p deleted file mode 100644 index 8e8c9a143..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/0/p +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object p; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/Allclean.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/Allclean.sh deleted file mode 100755 index fad662ab8..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/Allclean.sh +++ /dev/null @@ -1,14 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -cd constant/polyMesh -rm -rf boundary points faces neighbour owner -cd ../.. -rm -rf data/singleParticle.dat -rm -rf data/*.pdf -rm -rf processor* -rm -rf *[1-9]* -rm -rf probes -rm -rf sets -rm log.* -rm snapshot.* diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/Allrun.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/Allrun.sh deleted file mode 100755 index 6de27ec40..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/Allrun.sh +++ /dev/null @@ -1,11 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -./Allclean.sh - -f21x - -blockMesh -lammpsFoam - -./postprocessing.py diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/AllrunParallel.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/AllrunParallel.sh deleted file mode 100755 index 11d734a5c..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/AllrunParallel.sh +++ /dev/null @@ -1,3 +0,0 @@ -blockMesh > log.blockMesh -decomposePar > log.decomposePar -mpirun -np 2 lammpsFoam -parallel > log.parallel diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/atom.in b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/atom.in deleted file mode 100755 index 260c627a8..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/atom.in +++ /dev/null @@ -1,55 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 1 atom types - 5 nutrients - - 0.000000e-04 1.6e-03 xlo xhi - 0.000000e-04 0.03e-3 ylo yhi - 0.000000e-04 0.40e-3 zlo zhi - - Atoms - - #1 1 1.0e-6 150 8.5e-5 1.5e-5 5e-6 1.0e-6 - - Type Name - - 1 het - - Nutrients - - 1 sub l nd nn nn 0.005 0.005 - 2 o2 l nd nn nn 1e-4 1e-4 - 3 no2 l nd nn nn 8e-4 8e-4 - 4 no3 l nd nn nn 8e-4 8e-4 - 5 nh4 l nd nn nn 9e-4 9e-4 - - Diffusion Coeffs - - sub 1.1574e-9 - o2 0 - no2 0 - no3 0 - nh4 0 - - Ks - - het 0.004 0 0 0 0 - - Growth Rate - - het 0.000068056 - - Yield - - het 0.63 - - Maintenance - - het 0 - - Decay - - het 0 - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/cloudProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/cloudProperties deleted file mode 100755 index 33b522ede..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/cloudProperties +++ /dev/null @@ -1,46 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.0 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object sprayProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -interpolationSchemes -{ - U cellPointFace; -} - -g (0 0 0); - -dragModel SyamlalOBrien; -subCycles 1; -diffusionBandWidth 4e-5; -//maxPossibleAlpha 0.8; - -particleDrag 1; -particlePressureGrad 1; -particleAddedMass 0; -lubricationForce 1; -particleLift 1; -particleHistoryForce 0; - - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/environmentalProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/environmentalProperties deleted file mode 100755 index cc7446508..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/environmentalProperties +++ /dev/null @@ -1,28 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object environmentalProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -g g [0 1 -2 0 0 0 0] (0 0 0); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/polyMesh/blockMeshDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/polyMesh/blockMeshDict deleted file mode 100755 index f0097a9eb..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,113 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0016 0.00 0.0) - (0.0016 0.00003 0.0) - (0.00 0.00003 0.0) - (0.00 0.00 0.00040) - (0.0016 0.00 0.00040) - (0.0016 0.00003 0.00040) - (0.00 0.00003 0.00040) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (160 3 40) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/transportProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/transportProperties deleted file mode 100755 index 2e1e9487c..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/transportProperties +++ /dev/null @@ -1,52 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object transportProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -rhoa rhoa [1 -3 0 0 0 0 0] 5000; // density of the particle - -rhob rhob [1 -3 0 0 0 0 0] 1000; // density of the carrier - -nua nua [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the particle (defined but not used) - -nub nub [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the carrier - -da da [0 1 0 0 0 0 0] 8.9e-6; // diameter of the particle - -// db db [0 1 0 0 0 0 0] 0.1; // not using - -Cvm Cvm [0 0 0 0 0 0 0] 0.0; // some coefficient for UEqn (taken as zero) - -Cl Cl [0 0 0 0 0 0 0] 0; // lift coefficient (taken as zero) - -Ct Ct [0 0 0 0 0 0 0] 1; // some coefficient used in the turbulence (defined but not used) - -continousPhaseName water; - -rho.water 1; - -transportModel Newtonian; - -nu 1e-6; - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/turbulenceProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/turbulenceProperties deleted file mode 100755 index 3637150f2..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/constant/turbulenceProperties +++ /dev/null @@ -1,62 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object turbulenceProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -turbulenceModel laminar; - -turbulence off; - -laminarCoeffs -{ -} - -kEpsilonCoeffs -{ - Cmu Cmu [0 0 0 0 0 0 0] 0.09; - C1 C1 [0 0 0 0 0 0 0] 1.44; - C2 C2 [0 0 0 0 0 0 0] 1.92; - alphak alphak [0 0 0 0 0 0 0] 1; - alphaEps alphaEps [0 0 0 0 0 0 0] 0.76923; -} - -wallFunctionCoeffs -{ - kappa kappa [0 0 0 0 0 0 0] 0.4187; - E E [0 0 0 0 0 0 0] 9; -} - -simulationType LES; -LES -{ - LESModel Smagorinsky; - turbulence on; - printCoeffs on; - delta cubeRootVol; - - cubeRootVolCoeffs - { - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/in.lammps b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/in.lammps deleted file mode 100755 index 903b5cba8..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/in.lammps +++ /dev/null @@ -1,99 +0,0 @@ -# NUFEB simulation - -atom_style bio -atom_modify map array sort 1000 5e-7 -boundary pp pp pp -newton off -processors * * 1 - -units si - -comm_modify vel yes -read_data_bio atom.in - -group HET type 1 - -variable x equal 179 -variable y equal 3 -variable z equal 19 - -lattice sc 8.901e-6 origin 0.5 0.5 0.5 - -region reg block 0 $x 0 $y 0 $z - -variable xx internal 0.0 -variable zz internal 0.0 -variable v equal "(0.29*v_z*zlat * cos(v_xx/xlat * 4.7*PI*4.0/v_x) + 0.90*v_z*zlat - v_zz) > 0.0" - -create_atoms 1 region reg var v set x xx set z zz -#create_atoms 1 region reg - -neighbor 5e-7 bin - -set type 1 density 25 -set type 1 diameter 8.9e-6 -set type 1 mass 2.34661e-14 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -reset_timestep 0 - -timestep 1e-7 - -#fix 1 all nve/limit 1e-7 -#fix fv all viscous 1e-5 - -#fix zw all wall/gran hooke/history 5000 NULL 500.0 NULL 1.5 0 zplane 0.000000e-04 4e-4 - -variable kanc equal 50 - -#fix zwa all walladh v_kanc zplane 0.000000e-04 4e-4 - -variable ke equal 5e+10 - -variable pfx equal 0.0 -variable pfy equal 0.0 -variable pfz equal 0.0 - -fix 3 all fdrag 5000 - -##############Define IBm Variables############## - -#variables used in fix monod -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix kinetics -variable diffT equal 1e-4 -variable tol equal 5e-7 -variable etaHET equal 0 -variable layer equal -1 - -#Defining nufebFoam variables -variable bioSteps equal 1 -variable bioDt equal 60 -variable nloops equal 1000 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 160 3 40 v_diffT v_layer niter -1 -fix kgm all kinetics/growth/monod epsdens 30 etahet 0.0 gflag 0 -fix g1 all kinetics/diffusion v_tol - -fix cfd1 all sedifoam v_bioSteps v_bioDt v_nloops -fix vf1 all verify 1 bm2 1 demflag 0 - -##############Simulation Output############## - -#dump id all custom 1 snapshot.bubblemd id type diameter x y z -#dump du2 all grid 1000 grid_%_*.vti con - -thermo_style custom step cpu atoms biomass -thermo 10 -thermo_modify lost warn - - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/controlDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/controlDict deleted file mode 100755 index 0898b88f9..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/controlDict +++ /dev/null @@ -1,55 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom startTime; - -startTime 0; - -stopAt endTime; - -endTime 0.01; - -deltaT 0.000001; - -writeControl runTime; - -writeInterval 0.0001; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/controlDiffDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/controlDiffDict deleted file mode 100755 index 8e2ab988f..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/controlDiffDict +++ /dev/null @@ -1,87 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom latestTime; - -startTime 0; - -stopAt endTime; - -endTime 30; - -deltaT 1; - -writeControl runTime; - -writeInterval 0.5; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -functions -{ - probes - { - type probes; - functionObjectLibs ("libsampling.so"); - outputControl timeStep; - outputInterval 1; - probeLocations - ( - (0.02 0.002 0.003) - (0.02 0.16 0.003) - (0.01 0.002 0.003) - (0.01 0.16 0.003) - (0.002 0.002 0.003) - (0.002 0.16 0.003) - (0.002 0.04 0.003) - (0.038 0.002 0.003) - (0.038 0.04 0.003) - (0.03 0.002 0.003) - (0.03 0.04 0.003) - ); - fields - ( - p - Ub - ); - } - -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/decomposeParDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/decomposeParDict deleted file mode 100755 index 5a9285d12..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/decomposeParDict +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 1; - -method simple; - -simpleCoeffs -{ - n (1 1 1); - delta 0.001; -} - -hierarchicalCoeffs -{ - n (1 1 1); - delta 0.001; - order xyz; -} - -metisCoeffs -{ -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/fvSchemes b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/fvSchemes deleted file mode 100755 index 72f613d59..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/fvSchemes +++ /dev/null @@ -1,77 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSchemes; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; -} - -divSchemes -{ - default none; - div(phia,Ua) Gauss limitedLinearV 1; - div(phib,Ub) Gauss limitedLinearV 1; - div(phib,k) Gauss limitedLinear 1; - div(phib,epsilon) Gauss limitedLinear 1; - div(phi,alpha) Gauss limitedLinear01 1; - div((-nuEffa*grad(Ua).T())) Gauss linear; - div((-nuEffb*grad(Ub).T())) Gauss linear; - div(((beta*nuEff)*dev2(T(grad(Ub))))) Gauss linear; -} - -laplacianSchemes -{ - default none; - laplacian(nuEffa,Ua) Gauss linear corrected; - laplacian(nuEffb,Ub) Gauss linear corrected; - laplacian((rho*(1|A(U))),p) Gauss linear corrected; - laplacian(1,alpha) Gauss linear corrected; - laplacian(DT,tempDiffScalar) Gauss linear corrected; - laplacian(DT,tempDiffVector) Gauss linear corrected; - laplacian((beta*nuEff),Ub) Gauss linear corrected; -} - -interpolationSchemes -{ - default linear; -} - -snGradSchemes -{ - default corrected; -} - -fluxRequired -{ - default no; - p; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/fvSolution b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/fvSolution deleted file mode 100755 index 9ea78fdc3..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w1/system/fvSolution +++ /dev/null @@ -1,123 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSolution; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -solvers -{ -p -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -Ua -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -Ub -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -alpha -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -tempDiffScalar -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -tempDiffVector -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -beta -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -k -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -epsilon -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -} - -PISO -{ - nCorrectors 2; - nNonOrthogonalCorrectors 0; - nAlphaCorr 2; - correctAlpha no; - pRefCell 0; - pRefValue 0; -} - -SIMPLE -{ - nNonOrthogonalCorrectors 0; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/Ub b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/Ub deleted file mode 100644 index 29ceb2b09..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/Ub +++ /dev/null @@ -1,71 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volVectorField; - object Ub; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0.0 0); - -boundaryField -{ - bottom - { - type fixedValue; - value uniform (0 0 0); - } - - top - { - type fixedValue; - value uniform (-0.000162037 0 0); - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/alpha b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/alpha deleted file mode 100644 index b80b4ed81..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/alpha +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object alpha; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/epsilon b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/epsilon deleted file mode 100644 index d35aad5f4..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/epsilon +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object epsilon; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.1; - -boundaryField -{ - top - { - type fixedValue; - value uniform 0.1; - } - - bottom - { - type inletOutlet; - inletValue uniform 0.1; - value uniform 0.1; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/k b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/k deleted file mode 100644 index de84af62c..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/k +++ /dev/null @@ -1,74 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object k; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 1e-8; - -boundaryField -{ - top - { - type fixedValue; - value uniform 1e-8; - } - - bottom - { - type inletOutlet; - inletValue uniform 1e-8; - value uniform 1e-8; - } - - right - { - type cyclic; - } - - left - { - type cyclic; - } -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/nut b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/nut deleted file mode 100644 index 2ec671ca4..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/nut +++ /dev/null @@ -1,78 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object nut; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type calculated; - value uniform 0.0; - } - - bottom - { - type calculated; - value uniform 0.0; - } - - right - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - - left - { - // type calculated; - // value uniform 0.0; - type cyclic; - } - -front - { - - - type cyclic; - } - - back - { - - type cyclic; - - } - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/p b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/p deleted file mode 100644 index 8e8c9a143..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/0/p +++ /dev/null @@ -1,69 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class volScalarField; - object p; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - bottom - { - type zeroGradient; - } - - top - { - type zeroGradient; - } - - left - { - type cyclic; - } - - right - { - type cyclic; - } - - front - { - type cyclic; - } - - back - { - type cyclic; - } - - defaultFaces - { - type empty; - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/Allclean.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/Allclean.sh deleted file mode 100755 index fad662ab8..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/Allclean.sh +++ /dev/null @@ -1,14 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -cd constant/polyMesh -rm -rf boundary points faces neighbour owner -cd ../.. -rm -rf data/singleParticle.dat -rm -rf data/*.pdf -rm -rf processor* -rm -rf *[1-9]* -rm -rf probes -rm -rf sets -rm log.* -rm snapshot.* diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/Allrun.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/Allrun.sh deleted file mode 100755 index 6de27ec40..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/Allrun.sh +++ /dev/null @@ -1,11 +0,0 @@ -#!/bin/bash -cd ${0%/*} || exit 1 # Run from this directory - -./Allclean.sh - -f21x - -blockMesh -lammpsFoam - -./postprocessing.py diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/AllrunParallel.sh b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/AllrunParallel.sh deleted file mode 100755 index 11d734a5c..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/AllrunParallel.sh +++ /dev/null @@ -1,3 +0,0 @@ -blockMesh > log.blockMesh -decomposePar > log.decomposePar -mpirun -np 2 lammpsFoam -parallel > log.parallel diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/atom.in b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/atom.in deleted file mode 100755 index 260c627a8..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/atom.in +++ /dev/null @@ -1,55 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 1 atom types - 5 nutrients - - 0.000000e-04 1.6e-03 xlo xhi - 0.000000e-04 0.03e-3 ylo yhi - 0.000000e-04 0.40e-3 zlo zhi - - Atoms - - #1 1 1.0e-6 150 8.5e-5 1.5e-5 5e-6 1.0e-6 - - Type Name - - 1 het - - Nutrients - - 1 sub l nd nn nn 0.005 0.005 - 2 o2 l nd nn nn 1e-4 1e-4 - 3 no2 l nd nn nn 8e-4 8e-4 - 4 no3 l nd nn nn 8e-4 8e-4 - 5 nh4 l nd nn nn 9e-4 9e-4 - - Diffusion Coeffs - - sub 1.1574e-9 - o2 0 - no2 0 - no3 0 - nh4 0 - - Ks - - het 0.004 0 0 0 0 - - Growth Rate - - het 0.000068056 - - Yield - - het 0.63 - - Maintenance - - het 0 - - Decay - - het 0 - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/cloudProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/cloudProperties deleted file mode 100755 index 33b522ede..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/cloudProperties +++ /dev/null @@ -1,46 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.0 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object sprayProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -interpolationSchemes -{ - U cellPointFace; -} - -g (0 0 0); - -dragModel SyamlalOBrien; -subCycles 1; -diffusionBandWidth 4e-5; -//maxPossibleAlpha 0.8; - -particleDrag 1; -particlePressureGrad 1; -particleAddedMass 0; -lubricationForce 1; -particleLift 1; -particleHistoryForce 0; - - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/environmentalProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/environmentalProperties deleted file mode 100755 index cc7446508..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/environmentalProperties +++ /dev/null @@ -1,28 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object environmentalProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -g g [0 1 -2 0 0 0 0] (0 0 0); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/polyMesh/blockMeshDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/polyMesh/blockMeshDict deleted file mode 100755 index f0097a9eb..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,113 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object blockMeshDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1; - -vertices -( - (0.00 0.00 0.0) - (0.0016 0.00 0.0) - (0.0016 0.00003 0.0) - (0.00 0.00003 0.0) - (0.00 0.00 0.00040) - (0.0016 0.00 0.00040) - (0.0016 0.00003 0.00040) - (0.00 0.00003 0.00040) -); - -blocks -( - hex (0 1 2 3 4 5 6 7) (160 3 40) simpleGrading (1 1 1) -); - -edges -( -); - -boundary -( - bottom - { - type wall; - faces - ( - (0 1 2 3) - ); - } - - top - { - type wall; - faces - ( - (4 5 6 7) - ); - } - - left - { - type cyclic; - neighbourPatch right; - faces - ( - (0 4 7 3) - ); - } - - right - { - type cyclic; - neighbourPatch left; - faces - ( - (1 5 6 2) - ); - } - - front - { - type cyclic; - neighbourPatch back; - faces - ( - (0 1 5 4) - ); - } - - back - { - type cyclic; - neighbourPatch front; - faces - ( - (3 2 6 7) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/transportProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/transportProperties deleted file mode 100755 index 2e1e9487c..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/transportProperties +++ /dev/null @@ -1,52 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object transportProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -rhoa rhoa [1 -3 0 0 0 0 0] 5000; // density of the particle - -rhob rhob [1 -3 0 0 0 0 0] 1000; // density of the carrier - -nua nua [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the particle (defined but not used) - -nub nub [0 2 -1 0 0 0 0] 1.0e-6; // viscousity of the carrier - -da da [0 1 0 0 0 0 0] 8.9e-6; // diameter of the particle - -// db db [0 1 0 0 0 0 0] 0.1; // not using - -Cvm Cvm [0 0 0 0 0 0 0] 0.0; // some coefficient for UEqn (taken as zero) - -Cl Cl [0 0 0 0 0 0 0] 0; // lift coefficient (taken as zero) - -Ct Ct [0 0 0 0 0 0 0] 1; // some coefficient used in the turbulence (defined but not used) - -continousPhaseName water; - -rho.water 1; - -transportModel Newtonian; - -nu 1e-6; - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/turbulenceProperties b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/turbulenceProperties deleted file mode 100755 index 3637150f2..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/constant/turbulenceProperties +++ /dev/null @@ -1,62 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object turbulenceProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -turbulenceModel laminar; - -turbulence off; - -laminarCoeffs -{ -} - -kEpsilonCoeffs -{ - Cmu Cmu [0 0 0 0 0 0 0] 0.09; - C1 C1 [0 0 0 0 0 0 0] 1.44; - C2 C2 [0 0 0 0 0 0 0] 1.92; - alphak alphak [0 0 0 0 0 0 0] 1; - alphaEps alphaEps [0 0 0 0 0 0 0] 0.76923; -} - -wallFunctionCoeffs -{ - kappa kappa [0 0 0 0 0 0 0] 0.4187; - E E [0 0 0 0 0 0 0] 9; -} - -simulationType LES; -LES -{ - LESModel Smagorinsky; - turbulence on; - printCoeffs on; - delta cubeRootVol; - - cubeRootVolCoeffs - { - } -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/in.lammps b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/in.lammps deleted file mode 100755 index 8e76fdf6f..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/in.lammps +++ /dev/null @@ -1,97 +0,0 @@ -# NUFEB simulation - -atom_style bio -atom_modify map array sort 1000 5e-7 -boundary pp pp pp -newton off -processors * * 1 - -units si - -comm_modify vel yes -read_data_bio atom.in - -group HET type 1 - -variable x equal 179 -variable y equal 3 -variable z equal 19 - -lattice sc 8.901e-6 origin 0.5 0.5 0.5 - -region reg block 0 $x 0 $y 0 $z - -variable xx internal 0.0 -variable zz internal 0.0 -variable v equal "(0.29*v_z*zlat * cos(v_xx/xlat * 4.7*PI*4.0/v_x) + 0.90*v_z*zlat - v_zz) > 0.0" - -create_atoms 1 region reg var v set x xx set z zz -#create_atoms 1 region reg - -neighbor 5e-7 bin - -set type 1 density 25 -set type 1 diameter 8.9e-6 -set type 1 mass 2.34661e-14 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -reset_timestep 0 - -timestep 1e-7 - -#fix 1 all nve/limit 1e-7 -#fix fv all viscous 1e-5 - -#fix zw all wall/gran hooke/history 5000 NULL 500.0 NULL 1.5 0 zplane 0.000000e-04 4e-4 - -variable kanc equal 50 - -#fix zwa all walladh v_kanc zplane 0.000000e-04 4e-4 - -variable ke equal 5e+10 - -variable pfx equal 0.0 -variable pfy equal 0.0 -variable pfz equal 0.0 - -fix 3 all fdrag 5000 - -##############Define IBm Variables############## - -#variables used in fix monod -variable EPSdens equal 30 -variable EPSratio equal 1.25 - -#variables used in fix kinetics -variable diffT equal 1e-4 -variable tol equal 5e-7 -variable etaHET equal 0 -variable layer equal -1 - -#Defining nufebFoam variables -variable bioSteps equal 1 -variable bioDt equal 60 -variable nloops equal 1000 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 160 3 40 v_diffT v_layer niter -1 -fix kgm all kinetics/growth/monod epsdens 30 etahet 0.0 gflag 0 -fix g1 all kinetics/diffusion v_tol - -fix cfd1 all sedifoam v_bioSteps v_bioDt v_nloops -fix vf1 all verify 1 bm2 1 demflag 0 - -##############Simulation Output############## - -#dump id all custom 1 snapshot.bubblemd id type diameter x y z -#dump du2 all grid 1000 grid_%_*.vti con -thermo_style custom step cpu atoms biomass -thermo 10 -thermo_modify lost warn - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/controlDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/controlDict deleted file mode 100755 index 667a641b0..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/controlDict +++ /dev/null @@ -1,55 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom startTime; - -startTime 0; - -stopAt endTime; - -endTime 0.01; - -deltaT 0.000001; - -writeControl runTime; - -writeInterval 0.01; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/controlDiffDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/controlDiffDict deleted file mode 100755 index bcd38160b..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/controlDiffDict +++ /dev/null @@ -1,87 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object controlDict; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application hybridFoam; - -startFrom latestTime; - -startTime 0; - -stopAt endTime; - -endTime 30; - -deltaT 0.001; - -writeControl runTime; - -writeInterval 0.5; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression uncompressed; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable yes; - -functions -{ - probes - { - type probes; - functionObjectLibs ("libsampling.so"); - outputControl timeStep; - outputInterval 1; - probeLocations - ( - (0.02 0.002 0.003) - (0.02 0.16 0.003) - (0.01 0.002 0.003) - (0.01 0.16 0.003) - (0.002 0.002 0.003) - (0.002 0.16 0.003) - (0.002 0.04 0.003) - (0.038 0.002 0.003) - (0.038 0.04 0.003) - (0.03 0.002 0.003) - (0.03 0.04 0.003) - ); - fields - ( - p - Ub - ); - } - -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/decomposeParDict b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/decomposeParDict deleted file mode 100755 index 5a9285d12..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/decomposeParDict +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 1; - -method simple; - -simpleCoeffs -{ - n (1 1 1); - delta 0.001; -} - -hierarchicalCoeffs -{ - n (1 1 1); - delta 0.001; - order xyz; -} - -metisCoeffs -{ -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/fvSchemes b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/fvSchemes deleted file mode 100755 index 72f613d59..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/fvSchemes +++ /dev/null @@ -1,77 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSchemes; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; -} - -divSchemes -{ - default none; - div(phia,Ua) Gauss limitedLinearV 1; - div(phib,Ub) Gauss limitedLinearV 1; - div(phib,k) Gauss limitedLinear 1; - div(phib,epsilon) Gauss limitedLinear 1; - div(phi,alpha) Gauss limitedLinear01 1; - div((-nuEffa*grad(Ua).T())) Gauss linear; - div((-nuEffb*grad(Ub).T())) Gauss linear; - div(((beta*nuEff)*dev2(T(grad(Ub))))) Gauss linear; -} - -laplacianSchemes -{ - default none; - laplacian(nuEffa,Ua) Gauss linear corrected; - laplacian(nuEffb,Ub) Gauss linear corrected; - laplacian((rho*(1|A(U))),p) Gauss linear corrected; - laplacian(1,alpha) Gauss linear corrected; - laplacian(DT,tempDiffScalar) Gauss linear corrected; - laplacian(DT,tempDiffVector) Gauss linear corrected; - laplacian((beta*nuEff),Ub) Gauss linear corrected; -} - -interpolationSchemes -{ - default linear; -} - -snGradSchemes -{ - default corrected; -} - -fluxRequired -{ - default no; - p; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/fvSolution b/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/fvSolution deleted file mode 100755 index 9ea78fdc3..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark2/case-w2/system/fvSolution +++ /dev/null @@ -1,123 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object fvSolution; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -solvers -{ -p -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -Ua -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -Ub -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -alpha -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -tempDiffScalar -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -tempDiffVector -{ - solver PCG; - preconditioner DIC; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -beta -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-10; - relTol 0; -} - -// using new solver syntax: -k -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -// using new solver syntax: -epsilon -{ - solver PBiCG; - preconditioner DILU; - tolerance 1e-05; - relTol 0; -} - -} - -PISO -{ - nCorrectors 2; - nNonOrthogonalCorrectors 0; - nAlphaCorr 2; - correctAlpha no; - pRefCell 0; - pRefValue 0; -} - -SIMPLE -{ - nNonOrthogonalCorrectors 0; -} - - -// ************************************************************************* // diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/highN/Inputscript.lammps b/examples/PAPER-NUFEB-TOOL/validation/benchmark3/highN/Inputscript.lammps deleted file mode 100644 index 170db8625..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/highN/Inputscript.lammps +++ /dev/null @@ -1,102 +0,0 @@ -# NUFEB simulation - -units si -atom_style bio -atom_modify map array sort 1000 5.0e-6 -boundary pp pp ff -newton off -processors 4 1 1 - -comm_modify vel yes - -read_data_bio atom.in - -group HET type 1 -group AOB type 2 - -variable x equal 40 -variable y equal 3 -variable z equal 1 - -lattice sc 2e-5 origin 0.75 0.5 0.5 -region reg block 0 $x 0 $y 0 $z -create_atoms 1 random 200 1321 reg - -#lattice sc 2e-5 origin 0.25 0.5 0.5 -region reg2 block 0 $x 0 $y 0 $z -create_atoms 2 random 200 74564 reg - -neighbor 5e-7 bin - -set type 1 diameter 9.5e-6 -set type 1 density 13.5 -set type 2 diameter 9.5e-6 -set type 2 density 13.5 - -neigh_modify delay 0 one 2000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 1440 - -variable kanc equal 50 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane 0.0 6e-04 - -fix zwa all walladh v_kanc zplane 0.0 6e-04 - -variable ke equal 5e+10 -#fix j1 all epsadh 1 v_ke 1 - -##############Define IBm Variables############## - -#EPS density, ratio variables and division diameter -variable EPSdens equal 30 -variable EPSratio equal 1.25 -variable divDia equal 1e-5 - -#kinetics variables -variable diffT equal 1e-3 -variable tol equal 1e-5 -variable layer equal 0 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 40 3 60 v_diffT v_layer niter 5000 demflag 0 -fix kgm all kinetics/growth/monod epsdens 30 -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 -fix d1 all divide 1 v_EPSdens v_divDia 67456 demflag 0 -fix vf1 all verify 1 bm3 demflag 0 - -##############Simulation Output############## - -compute myHeight all avg_height -compute myMass all biomass -compute myNtype all ntypes - -#dump du0 all bio 5010 biomass ntypes bulk -#dump id all custom 120100 snapshot.bubblemd id type diameter x y z -thermo_style custom step cpu atoms c_myHeight c_myNtype[*] c_myMass[*] -thermo 1001 -thermo_modify lost warn - -##############Two-loops Run############## - -run 3600 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d1 demflag 1" & -"fix_modify vf1 demflag 1" & -"timestep 0.1" & -"run 2000 pre no post no" & -"timestep 1440" & -"fix_modify k1 demflag 0" & -"fix_modify d1 demflag 0" & -"fix_modify vf1 demflag 0" - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/highN/atom.in b/examples/PAPER-NUFEB-TOOL/validation/benchmark3/highN/atom.in deleted file mode 100644 index 970c9e45a..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/highN/atom.in +++ /dev/null @@ -1,60 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 2 atom types - 5 nutrients - - 0.000000e-04 4.000000e-04 xlo xhi - 0.000000e-04 3.000000e-05 ylo yhi - 0.000000e-04 6.000000e-04 zlo zhi - - Atoms - - Nutrients - - 1 sub l pp pp nd 0.03 0.03 - 2 o2 l pp pp nd 0.01 0.01 - 3 nh4 l pp pp nd 0.03 0.03 - 4 no2 l pp pp nd 1e-4 1e-4 - 5 no3 l pp pp nd 1e-4 1e-4 - - - Diffusion Coeffs - - sub 1.1574e-9 - o2 2.3148e-9 - nh4 1.9676e-9 - no2 0 - no3 0 - - Type Name - - 1 het - 2 aob - - Ks - - het 4e-3 2e-4 0 0 0 - aob 0 5e-4 1e-3 0 0 - -Growth Rate - - het 0.000069444 - aob 0.000025463 - - Yield - - het 0.63 - aob 0.24 - - Maintenance - - het 0.000003694 - aob 0.000001389 - - Decay - - het 0.000000917 - aob 0.000000347 - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/highN/result b/examples/PAPER-NUFEB-TOOL/validation/benchmark3/highN/result deleted file mode 100644 index f1cb012db..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/highN/result +++ /dev/null @@ -1,4211 +0,0 @@ -LAMMPS (5 Nov 2016) -# NUFEB simulation - -units si -atom_style bio -atom_modify map array sort 1000 5.0e-6 -boundary pp pp ff -newton off -processors 4 1 1 - -comm_modify vel yes - -read_data_bio atom.in - orthogonal box = (0 0 0) to (0.0004 3e-05 0.0006) - 4 by 1 by 1 MPI processor grid - reading atoms ... - 0 atoms - 5 nutrients - -group HET type 1 -0 atoms in group HET -group AOB type 2 -0 atoms in group AOB - -variable x equal 40 -variable y equal 3 -variable z equal 1 - -lattice sc 2e-5 origin 0.75 0.5 0.5 -Lattice spacing in x,y,z = 2e-05 2e-05 2e-05 -region reg block 0 $x 0 $y 0 $z -region reg block 0 40 0 $y 0 $z -region reg block 0 40 0 3 0 $z -region reg block 0 40 0 3 0 1 -create_atoms 1 random 200 1321 reg -Created 200 atoms - -#lattice sc 2e-5 origin 0.25 0.5 0.5 -region reg2 block 0 $x 0 $y 0 $z -region reg2 block 0 40 0 $y 0 $z -region reg2 block 0 40 0 3 0 $z -region reg2 block 0 40 0 3 0 1 -create_atoms 2 random 200 74564 reg -Created 200 atoms - -neighbor 5e-7 bin - -set type 1 diameter 9.5e-6 - 200 settings made for diameter -set type 1 density 13.5 - 200 settings made for density -set type 2 diameter 9.5e-6 - 200 settings made for diameter -set type 2 density 13.5 - 200 settings made for density - -neigh_modify delay 0 one 2000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 1440 - -variable kanc equal 50 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane 0.0 6e-04 - -fix zwa all walladh v_kanc zplane 0.0 6e-04 - -variable ke equal 5e+10 -#fix j1 all epsadh 1 v_ke 1 - -##############Define IBm Variables############## - -#EPS density, ratio variables and division diameter -variable EPSdens equal 30 -variable EPSratio equal 1.25 -variable divDia equal 1e-5 - -#kinetics variables -variable etaHET equal 0.0 -variable diffT equal 1e-3 -variable tol equal 1e-5 -variable layer equal 0 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 40 3 60 v_diffT v_layer niter 5000 demflag 0 -fix kgm all kinetics/growth/monod v_EPSdens v_etaHET -fix g1 all kinetics/diffusion v_tol pp pp nd kg bulk 2.31e-7 1.25e-3 0.1 -fix d1 all divide 1 v_EPSdens v_divDia 67456 demflag 0 -fix vf1 all verify 1 bm3 demflag 0 - -##############Simulation Output############## - -compute myHeight all avg_height -compute myMass all biomass -compute myNtype all ntypes - -#dump du0 all bio 5010 biomass ntypes bulk -#dump id all custom 120100 snapshot.bubblemd id type diameter x y z -thermo_style custom step cpu atoms c_myHeight c_myNtype[*] c_myMass[*] -thermo 1001 -thermo_modify lost warn - -##############Two-loops Run############## - -run 3600 pre no post no every 1 "fix_modify k1 demflag 1" "fix_modify d1 demflag 1" "fix_modify vf1 demflag 1" "timestep 0.1" "run 2000 pre no post no" "timestep 1440" "fix_modify k1 demflag 0" "fix_modify d1 demflag 0" "fix_modify vf1 demflag 0" -WARNING: EPS is not defined in fix_kinetics/kinetics/monod (../fix_bio_kinetics_monod.cpp:253) -ae = 1.450000e+02, top = 2.468173e-05, base = 4.769412e-06, ave_h = 1.001895e-05 -Neighbor list info ... - 2 neighbor list requests - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 1e-05 - ghost atom cutoff = 1e-05 - binsize = 5e-06 -> bins = 80 6 120 -Memory usage per processor = 7.47557 Mbytes -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 0 0 400 1.8141073e-05 0 200 200 2.4241707e-12 1.2120854e-12 1.2120854e-12 -number of iterations: 549 -maxz = 2.489477e-05 -S-sub-bulk = 2.889184e-02 -S-sub-base = 2.986307e-02 -S-nh4-bulk = 2.886433e-02 -S-nh4-base = 2.990744e-02 - - 1 0.023680925 400 1.8302305e-05 0 200 200 2.5589486e-12 1.3088896e-12 1.250059e-12 -Loop time of 0.0236964 on 4 procs for 1 steps with 400 atoms - -95.6% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 1 0 400 1.8302305e-05 0 200 200 2.5589486e-12 1.3088896e-12 1.250059e-12 - 1001 0.057500124 400 2.7775596e-05 0 200 200 2.5589486e-12 1.3088896e-12 1.250059e-12 - 2001 0.0949471 400 2.7834648e-05 0 200 200 2.5589486e-12 1.3088896e-12 1.250059e-12 -Loop time of 0.0949636 on 4 procs for 2000 steps with 400 atoms - -99.3% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 2001 0 400 2.7834648e-05 0 200 200 2.5589486e-12 1.3088896e-12 1.250059e-12 -number of iterations: 880 -maxz = 3.962167e-05 -S-sub-bulk = 2.799463e-02 -S-sub-base = 2.885586e-02 -S-nh4-bulk = 2.799586e-02 -S-nh4-base = 2.880545e-02 - - 2002 0.040560007 400 2.7911705e-05 0 200 200 2.7021922e-12 1.4129918e-12 1.2892004e-12 -Loop time of 0.0405765 on 4 procs for 1 steps with 400 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 2002 0 400 2.7911705e-05 0 200 200 2.7021922e-12 1.4129918e-12 1.2892004e-12 - 3003 0.042623997 400 2.8855866e-05 0 200 200 2.7021922e-12 1.4129918e-12 1.2892004e-12 - 4002 0.075367928 400 2.8816571e-05 0 200 200 2.7021922e-12 1.4129918e-12 1.2892004e-12 -Loop time of 0.0753872 on 4 procs for 2000 steps with 400 atoms - -99.2% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 4002 0 400 2.8816571e-05 0 200 200 2.7021922e-12 1.4129918e-12 1.2892004e-12 -number of iterations: 1220 -maxz = 4.002609e-05 -S-sub-bulk = 2.724706e-02 -S-sub-base = 2.792722e-02 -S-nh4-bulk = 2.732439e-02 -S-nh4-base = 2.790255e-02 - - 4003 0.065608978 400 2.8931287e-05 0 200 200 2.8543164e-12 1.5248382e-12 1.3294782e-12 -Loop time of 0.0656214 on 4 procs for 1 steps with 400 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 4003 0 400 2.8931287e-05 0 200 200 2.8543164e-12 1.5248382e-12 1.3294782e-12 - 4004 7.9870224e-05 400 2.8908821e-05 0 200 200 2.8543164e-12 1.5248382e-12 1.3294782e-12 - 5005 0.045200825 400 2.9402128e-05 0 200 200 2.8543164e-12 1.5248382e-12 1.3294782e-12 - 6003 0.079931021 400 2.9691296e-05 0 200 200 2.8543164e-12 1.5248382e-12 1.3294782e-12 -Loop time of 0.0799482 on 4 procs for 2000 steps with 400 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 6003 0 400 2.9691296e-05 0 200 200 2.8543164e-12 1.5248382e-12 1.3294782e-12 -number of iterations: 1135 -maxz = 4.282246e-05 -S-sub-bulk = 2.660185e-02 -S-sub-base = 2.715995e-02 -S-nh4-bulk = 2.679501e-02 -S-nh4-base = 2.722907e-02 - - 6004 0.053279877 600 3.1411661e-05 0 400 200 3.0160583e-12 1.6450817e-12 1.3709766e-12 -Loop time of 0.0532921 on 4 procs for 1 steps with 600 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 6004 0 600 3.1411661e-05 0 400 200 3.0160583e-12 1.6450817e-12 1.3709766e-12 - 6006 0.00014805794 600 3.1468196e-05 0 400 200 3.0160583e-12 1.6450817e-12 1.3709766e-12 - 7007 0.045078993 600 3.4646414e-05 0 400 200 3.0160583e-12 1.6450817e-12 1.3709766e-12 - 8004 0.073286057 600 3.4771478e-05 0 400 200 3.0160583e-12 1.6450817e-12 1.3709766e-12 -Loop time of 0.0733004 on 4 procs for 2000 steps with 600 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 8004 0 600 3.4771478e-05 0 400 200 3.0160583e-12 1.6450817e-12 1.3709766e-12 -number of iterations: 1373 -maxz = 4.492358e-05 -S-sub-bulk = 2.602509e-02 -S-sub-base = 2.649065e-02 -S-nh4-bulk = 2.636996e-02 -S-nh4-base = 2.667395e-02 - - 8005 0.059325933 600 3.4846002e-05 0 400 200 3.1879933e-12 1.7742996e-12 1.4136937e-12 -Loop time of 0.059341 on 4 procs for 1 steps with 600 atoms - -98.6% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 8005 0 600 3.4846002e-05 0 400 200 3.1879933e-12 1.7742996e-12 1.4136937e-12 - 8008 0.00034499168 600 3.499993e-05 0 400 200 3.1879933e-12 1.7742996e-12 1.4136937e-12 - 9009 0.044047117 600 3.573299e-05 0 400 200 3.1879933e-12 1.7742996e-12 1.4136937e-12 - 10005 0.073485136 600 3.5745397e-05 0 400 200 3.1879933e-12 1.7742996e-12 1.4136937e-12 -Loop time of 0.0735011 on 4 procs for 2000 steps with 600 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 10005 0 600 3.5745397e-05 0 400 200 3.1879933e-12 1.7742996e-12 1.4136937e-12 -number of iterations: 1300 -maxz = 4.875116e-05 -S-sub-bulk = 2.549035e-02 -S-sub-base = 2.588786e-02 -S-nh4-bulk = 2.601904e-02 -S-nh4-base = 2.624075e-02 - - 10006 0.060673952 684 3.685194e-05 0 400 284 3.3709188e-12 1.913207e-12 1.4577117e-12 -Loop time of 0.0606937 on 4 procs for 1 steps with 684 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 10006 0 684 3.685194e-05 0 400 284 3.3709188e-12 1.913207e-12 1.4577117e-12 - 10010 0.00045394897 684 3.7127666e-05 0 400 284 3.3709188e-12 1.913207e-12 1.4577117e-12 - 11011 0.05257988 684 3.8328398e-05 0 400 284 3.3709188e-12 1.913207e-12 1.4577117e-12 - 12006 0.083586931 684 3.8302541e-05 0 400 284 3.3709188e-12 1.913207e-12 1.4577117e-12 -Loop time of 0.0836042 on 4 procs for 2000 steps with 684 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 12006 0 684 3.8302541e-05 0 400 284 3.3709188e-12 1.913207e-12 1.4577117e-12 -number of iterations: 1263 -maxz = 4.893928e-05 -S-sub-bulk = 2.497824e-02 -S-sub-base = 2.533006e-02 -S-nh4-bulk = 2.572113e-02 -S-nh4-base = 2.588223e-02 - - 12007 0.058604002 800 3.8428961e-05 0 400 400 3.5655941e-12 2.0625167e-12 1.5030775e-12 -Loop time of 0.0586195 on 4 procs for 1 steps with 800 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 12007 0 800 3.8428961e-05 0 400 400 3.5655941e-12 2.0625167e-12 1.5030775e-12 - 12012 0.00073003769 800 3.8610438e-05 0 400 400 3.5655941e-12 2.0625167e-12 1.5030775e-12 - 13013 0.064502001 800 4.0549949e-05 0 400 400 3.5655941e-12 2.0625167e-12 1.5030775e-12 - 14007 0.10464716 800 4.0582972e-05 0 400 400 3.5655941e-12 2.0625167e-12 1.5030775e-12 -Loop time of 0.104665 on 4 procs for 2000 steps with 800 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 14007 0 800 4.0582972e-05 0 400 400 3.5655941e-12 2.0625167e-12 1.5030775e-12 -number of iterations: 1238 -maxz = 4.952926e-05 -S-sub-bulk = 2.447388e-02 -S-sub-base = 2.480593e-02 -S-nh4-bulk = 2.546065e-02 -S-nh4-base = 2.558490e-02 - - 14008 0.058292866 800 4.0609301e-05 0 400 400 3.7728368e-12 2.2229964e-12 1.5498404e-12 -Loop time of 0.0583084 on 4 procs for 1 steps with 800 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 14008 0 800 4.0609301e-05 0 400 400 3.7728368e-12 2.2229964e-12 1.5498404e-12 - 14014 0.00097703934 800 4.08707e-05 0 400 400 3.7728368e-12 2.2229964e-12 1.5498404e-12 - 15015 0.064621925 800 4.1740091e-05 0 400 400 3.7728368e-12 2.2229964e-12 1.5498404e-12 - 16008 0.10767603 800 4.1791843e-05 0 400 400 3.7728368e-12 2.2229964e-12 1.5498404e-12 -Loop time of 0.107694 on 4 procs for 2000 steps with 800 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 16008 0 800 4.1791843e-05 0 400 400 3.7728368e-12 2.2229964e-12 1.5498404e-12 -number of iterations: 1251 -maxz = 5.146416e-05 -S-sub-bulk = 2.396638e-02 -S-sub-base = 2.427722e-02 -S-nh4-bulk = 2.522656e-02 -S-nh4-base = 2.531699e-02 - - 16009 0.059668064 800 4.1856272e-05 0 400 400 3.9934458e-12 2.3954089e-12 1.5980369e-12 -Loop time of 0.0596843 on 4 procs for 1 steps with 800 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 16009 0 800 4.1856272e-05 0 400 400 3.9934458e-12 2.3954089e-12 1.5980369e-12 - 16016 0.0010371208 800 4.2090218e-05 0 400 400 3.9934458e-12 2.3954089e-12 1.5980369e-12 - 17017 0.06695509 800 4.310643e-05 0 400 400 3.9934458e-12 2.3954089e-12 1.5980369e-12 - 18009 0.1127069 800 4.3143624e-05 0 400 400 3.9934458e-12 2.3954089e-12 1.5980369e-12 -Loop time of 0.112726 on 4 procs for 2000 steps with 800 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 18009 0 800 4.3143624e-05 0 400 400 3.9934458e-12 2.3954089e-12 1.5980369e-12 -number of iterations: 1627 -maxz = 5.249378e-05 -S-sub-bulk = 2.344926e-02 -S-sub-base = 2.367199e-02 -S-nh4-bulk = 2.501253e-02 -S-nh4-base = 2.503031e-02 - - 18010 0.083717823 811 4.3240478e-05 0 411 400 4.2280152e-12 2.5803733e-12 1.6476419e-12 -Loop time of 0.083735 on 4 procs for 1 steps with 811 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 18010 0 811 4.3240478e-05 0 411 400 4.2280152e-12 2.5803733e-12 1.6476419e-12 - 18018 0.0010638237 811 4.3541221e-05 0 411 400 4.2280152e-12 2.5803733e-12 1.6476419e-12 - 19019 0.076098919 811 4.4789397e-05 0 411 400 4.2280152e-12 2.5803733e-12 1.6476419e-12 - 20010 0.12835979 811 4.5164716e-05 0 411 400 4.2280152e-12 2.5803733e-12 1.6476419e-12 -Loop time of 0.128379 on 4 procs for 2000 steps with 811 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 20010 0 811 4.5164716e-05 0 411 400 4.2280152e-12 2.5803733e-12 1.6476419e-12 -number of iterations: 1541 -maxz = 5.540558e-05 -S-sub-bulk = 2.291352e-02 -S-sub-base = 2.312857e-02 -S-nh4-bulk = 2.481010e-02 -S-nh4-base = 2.480872e-02 - - 20011 0.082636118 891 4.5431366e-05 0 491 400 4.477657e-12 2.7788956e-12 1.6987613e-12 -Loop time of 0.0826538 on 4 procs for 1 steps with 891 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 20011 0 891 4.5431366e-05 0 491 400 4.477657e-12 2.7788956e-12 1.6987613e-12 - 20020 0.0016150475 891 4.5839632e-05 0 491 400 4.477657e-12 2.7788956e-12 1.6987613e-12 - 21021 0.089754105 891 4.8023751e-05 0 491 400 4.477657e-12 2.7788956e-12 1.6987613e-12 - 22011 0.14837098 891 4.8196404e-05 0 491 400 4.477657e-12 2.7788956e-12 1.6987613e-12 -Loop time of 0.148391 on 4 procs for 2000 steps with 891 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 22011 0 891 4.8196404e-05 0 491 400 4.477657e-12 2.7788956e-12 1.6987613e-12 -number of iterations: 1592 -maxz = 6.049830e-05 -S-sub-bulk = 2.235361e-02 -S-sub-base = 2.256447e-02 -S-nh4-bulk = 2.461442e-02 -S-nh4-base = 2.460125e-02 - - 22012 0.088311911 986 4.8583014e-05 0 586 400 4.7433318e-12 2.9918775e-12 1.7514544e-12 -Loop time of 0.0883295 on 4 procs for 1 steps with 986 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 22012 0 986 4.8583014e-05 0 586 400 4.7433318e-12 2.9918775e-12 1.7514544e-12 - 22022 0.0016820431 986 4.9049489e-05 0 586 400 4.7433318e-12 2.9918775e-12 1.7514544e-12 - 23023 0.10025811 986 5.0531805e-05 0 586 400 4.7433318e-12 2.9918775e-12 1.7514544e-12 - 24012 0.16571617 986 5.0717368e-05 0 586 400 4.7433318e-12 2.9918775e-12 1.7514544e-12 -Loop time of 0.165737 on 4 procs for 2000 steps with 986 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 24012 0 986 5.0717368e-05 0 586 400 4.7433318e-12 2.9918775e-12 1.7514544e-12 -number of iterations: 2077 -maxz = 6.240660e-05 -S-sub-bulk = 2.176884e-02 -S-sub-base = 2.188114e-02 -S-nh4-bulk = 2.442487e-02 -S-nh4-base = 2.434895e-02 - - 24013 0.12308884 1057 5.08927e-05 0 657 400 5.025588e-12 3.2199084e-12 1.8056796e-12 -Loop time of 0.123104 on 4 procs for 1 steps with 1057 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 24013 0 1057 5.08927e-05 0 657 400 5.025588e-12 3.2199084e-12 1.8056796e-12 - 24024 0.001928091 1057 5.1433503e-05 0 657 400 5.025588e-12 3.2199084e-12 1.8056796e-12 - 25025 0.11812115 1057 5.3190566e-05 0 657 400 5.025588e-12 3.2199084e-12 1.8056796e-12 - 26013 0.19954014 1057 5.3619688e-05 0 657 400 5.025588e-12 3.2199084e-12 1.8056796e-12 -Loop time of 0.199563 on 4 procs for 2000 steps with 1057 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 26013 0 1057 5.3619688e-05 0 657 400 5.025588e-12 3.2199084e-12 1.8056796e-12 -number of iterations: 1996 -maxz = 6.790354e-05 -S-sub-bulk = 2.115253e-02 -S-sub-base = 2.125430e-02 -S-nh4-bulk = 2.423607e-02 -S-nh4-base = 2.415265e-02 - - 26014 0.11886406 1134 5.3881255e-05 0 734 400 5.3257027e-12 3.4641385e-12 1.8615642e-12 -Loop time of 0.118881 on 4 procs for 1 steps with 1134 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 26014 0 1134 5.3881255e-05 0 734 400 5.3257027e-12 3.4641385e-12 1.8615642e-12 - 26026 0.0024700165 1134 5.4244197e-05 0 734 400 5.3257027e-12 3.4641385e-12 1.8615642e-12 - 27027 0.12260103 1134 5.6093703e-05 0 734 400 5.3257027e-12 3.4641385e-12 1.8615642e-12 - 28014 0.20725703 1134 5.6620959e-05 0 734 400 5.3257027e-12 3.4641385e-12 1.8615642e-12 -Loop time of 0.207278 on 4 procs for 2000 steps with 1134 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 28014 0 1134 5.6620959e-05 0 734 400 5.3257027e-12 3.4641385e-12 1.8615642e-12 -number of iterations: 2075 -maxz = 6.964973e-05 -S-sub-bulk = 2.050163e-02 -S-sub-base = 2.060522e-02 -S-nh4-bulk = 2.404601e-02 -S-nh4-base = 2.396136e-02 - - 28015 0.13395286 1193 5.6987013e-05 0 793 400 5.6447096e-12 3.7255412e-12 1.9191683e-12 -Loop time of 0.133968 on 4 procs for 1 steps with 1193 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 28015 0 1193 5.6987013e-05 0 793 400 5.6447096e-12 3.7255412e-12 1.9191683e-12 - 28028 0.0029430389 1193 5.7643652e-05 0 793 400 5.6447096e-12 3.7255412e-12 1.9191683e-12 - 29029 0.13488197 1193 5.9274044e-05 0 793 400 5.6447096e-12 3.7255412e-12 1.9191683e-12 - 30015 0.23250699 1193 5.9725787e-05 0 793 400 5.6447096e-12 3.7255412e-12 1.9191683e-12 -Loop time of 0.232529 on 4 procs for 2000 steps with 1193 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 30015 0 1193 5.9725787e-05 0 793 400 5.6447096e-12 3.7255412e-12 1.9191683e-12 -number of iterations: 2183 -maxz = 7.217996e-05 -S-sub-bulk = 1.981435e-02 -S-sub-base = 1.991455e-02 -S-nh4-bulk = 2.385353e-02 -S-nh4-base = 2.376720e-02 - - 30016 0.14065695 1200 5.9887883e-05 0 800 400 5.9835859e-12 4.0050435e-12 1.9785424e-12 -Loop time of 0.140674 on 4 procs for 1 steps with 1200 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 30016 0 1200 5.9887883e-05 0 800 400 5.9835859e-12 4.0050435e-12 1.9785424e-12 - 30030 0.0031819344 1200 6.0318652e-05 0 800 400 5.9835859e-12 4.0050435e-12 1.9785424e-12 - 31031 0.13444805 1200 6.1772688e-05 0 800 400 5.9835859e-12 4.0050435e-12 1.9785424e-12 - 32016 0.2437489 1200 6.2303279e-05 0 800 400 5.9835859e-12 4.0050435e-12 1.9785424e-12 -Loop time of 0.24377 on 4 procs for 2000 steps with 1200 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 32016 0 1200 6.2303279e-05 0 800 400 5.9835859e-12 4.0050435e-12 1.9785424e-12 -number of iterations: 2921 -maxz = 7.361282e-05 -S-sub-bulk = 1.909734e-02 -S-sub-base = 1.902309e-02 -S-nh4-bulk = 2.366148e-02 -S-nh4-base = 2.350436e-02 - - 32017 0.18859386 1202 6.2418764e-05 0 802 400 6.3424404e-12 4.302831e-12 2.0396094e-12 -Loop time of 0.188611 on 4 procs for 1 steps with 1202 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 32017 0 1202 6.2418764e-05 0 802 400 6.3424404e-12 4.302831e-12 2.0396094e-12 - 32032 0.0033950806 1202 6.2930178e-05 0 802 400 6.3424404e-12 4.302831e-12 2.0396094e-12 - 33033 0.13865614 1202 6.4106519e-05 0 802 400 6.3424404e-12 4.302831e-12 2.0396094e-12 - 34017 0.26030397 1202 6.4865729e-05 0 802 400 6.3424404e-12 4.302831e-12 2.0396094e-12 -Loop time of 0.260325 on 4 procs for 2000 steps with 1202 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 34017 0 1202 6.4865729e-05 0 802 400 6.3424404e-12 4.302831e-12 2.0396094e-12 -number of iterations: 2759 -maxz = 7.611239e-05 -S-sub-bulk = 1.834238e-02 -S-sub-base = 1.824162e-02 -S-nh4-bulk = 2.346481e-02 -S-nh4-base = 2.330549e-02 - - 34018 0.17193103 1225 6.487688e-05 0 825 400 6.7228319e-12 4.6202952e-12 2.1025367e-12 -Loop time of 0.171947 on 4 procs for 1 steps with 1225 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 34018 0 1225 6.487688e-05 0 825 400 6.7228319e-12 4.6202952e-12 2.1025367e-12 - 34034 0.0040521622 1225 6.5381963e-05 0 825 400 6.7228319e-12 4.6202952e-12 2.1025367e-12 - 35035 0.15227008 1225 6.7264374e-05 0 825 400 6.7228319e-12 4.6202952e-12 2.1025367e-12 - 36018 0.276613 1225 6.8029324e-05 0 825 400 6.7228319e-12 4.6202952e-12 2.1025367e-12 -Loop time of 0.276634 on 4 procs for 2000 steps with 1225 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 36018 0 1225 6.8029324e-05 0 825 400 6.7228319e-12 4.6202952e-12 2.1025367e-12 -number of iterations: 2890 -maxz = 7.955994e-05 -S-sub-bulk = 1.754920e-02 -S-sub-base = 1.742923e-02 -S-nh4-bulk = 2.326276e-02 -S-nh4-base = 2.310635e-02 - - 36019 0.18129396 1281 6.8277806e-05 0 881 400 7.1256754e-12 4.9582843e-12 2.167391e-12 -Loop time of 0.18131 on 4 procs for 1 steps with 1281 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 36019 0 1281 6.8277806e-05 0 881 400 7.1256754e-12 4.9582843e-12 2.167391e-12 - 36036 0.0038719177 1281 6.9197222e-05 0 881 400 7.1256754e-12 4.9582843e-12 2.167391e-12 - 37037 0.16432405 1281 7.129063e-05 0 881 400 7.1256754e-12 4.9582843e-12 2.167391e-12 - 38019 0.30520391 1281 7.1597106e-05 0 881 400 7.1256754e-12 4.9582843e-12 2.167391e-12 -Loop time of 0.305226 on 4 procs for 2000 steps with 1281 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 38019 0 1281 7.1597106e-05 0 881 400 7.1256754e-12 4.9582843e-12 2.167391e-12 -number of iterations: 3037 -maxz = 8.485082e-05 -S-sub-bulk = 1.671848e-02 -S-sub-base = 1.658723e-02 -S-nh4-bulk = 2.305486e-02 -S-nh4-base = 2.290205e-02 - - 38020 0.22706914 1365 7.1982121e-05 0 965 400 7.5517971e-12 5.3175618e-12 2.2342353e-12 -Loop time of 0.227085 on 4 procs for 1 steps with 1365 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 38020 0 1365 7.1982121e-05 0 965 400 7.5517971e-12 5.3175618e-12 2.2342353e-12 - 38038 0.0055029392 1365 7.2718481e-05 0 965 400 7.5517971e-12 5.3175618e-12 2.2342353e-12 - 39039 0.18161011 1365 7.4768126e-05 0 965 400 7.5517971e-12 5.3175618e-12 2.2342353e-12 - 40020 0.32867908 1365 7.5339553e-05 0 965 400 7.5517971e-12 5.3175618e-12 2.2342353e-12 -Loop time of 0.3287 on 4 procs for 2000 steps with 1365 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 40020 0 1365 7.5339553e-05 0 965 400 7.5517971e-12 5.3175618e-12 2.2342353e-12 -number of iterations: 4064 -maxz = 8.902544e-05 -S-sub-bulk = 1.586929e-02 -S-sub-base = 1.548439e-02 -S-nh4-bulk = 2.284595e-02 -S-nh4-base = 2.261547e-02 - - 40021 0.3173821 1463 7.5692225e-05 0 1063 400 8.0001123e-12 5.6971554e-12 2.3029569e-12 -Loop time of 0.317399 on 4 procs for 1 steps with 1463 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 40021 0 1463 7.5692225e-05 0 1063 400 8.0001123e-12 5.6971554e-12 2.3029569e-12 - 40040 0.006592989 1463 7.6589556e-05 0 1063 400 8.0001123e-12 5.6971554e-12 2.3029569e-12 - 41041 0.19925809 1463 7.9184931e-05 0 1063 400 8.0001123e-12 5.6971554e-12 2.3029569e-12 - 42021 0.35377908 1463 7.9612873e-05 0 1063 400 8.0001123e-12 5.6971554e-12 2.3029569e-12 -Loop time of 0.353798 on 4 procs for 2000 steps with 1463 atoms - -99.2% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 42021 0 1463 7.9612873e-05 0 1063 400 8.0001123e-12 5.6971554e-12 2.3029569e-12 -number of iterations: 3744 -maxz = 9.299894e-05 -S-sub-bulk = 1.498714e-02 -S-sub-base = 1.458410e-02 -S-nh4-bulk = 2.262959e-02 -S-nh4-base = 2.240804e-02 - - 42022 0.26293898 1575 7.9853757e-05 0 1175 400 8.4725254e-12 6.0987426e-12 2.3737828e-12 -Loop time of 0.262956 on 4 procs for 1 steps with 1575 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 42022 0 1575 7.9853757e-05 0 1175 400 8.4725254e-12 6.0987426e-12 2.3737828e-12 - 42042 0.0061199665 1575 8.0842236e-05 0 1175 400 8.4725254e-12 6.0987426e-12 2.3737828e-12 - 43043 0.21008611 1575 8.3058362e-05 0 1175 400 8.4725254e-12 6.0987426e-12 2.3737828e-12 - 44022 0.38236809 1575 8.3408128e-05 0 1175 400 8.4725254e-12 6.0987426e-12 2.3737828e-12 -Loop time of 0.382387 on 4 procs for 2000 steps with 1575 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 44022 0 1575 8.3408128e-05 0 1175 400 8.4725254e-12 6.0987426e-12 2.3737828e-12 -number of iterations: 5000 -maxz = 9.786705e-05 -S-sub-bulk = 1.410561e-02 -S-sub-base = 1.337565e-02 -S-nh4-bulk = 2.241227e-02 -S-nh4-base = 2.210461e-02 - - 44023 0.3659091 1727 8.3876509e-05 0 1319 408 8.9664279e-12 6.5198699e-12 2.446558e-12 -Loop time of 0.365926 on 4 procs for 1 steps with 1727 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 44023 0 1727 8.3876509e-05 0 1319 408 8.9664279e-12 6.5198699e-12 2.446558e-12 - 44044 0.006909132 1727 8.4968904e-05 0 1319 408 8.9664279e-12 6.5198699e-12 2.446558e-12 - 45045 0.24088597 1727 8.7909412e-05 0 1319 408 8.9664279e-12 6.5198699e-12 2.446558e-12 - 46023 0.42684197 1727 8.8568108e-05 0 1319 408 8.9664279e-12 6.5198699e-12 2.446558e-12 -Loop time of 0.426861 on 4 procs for 2000 steps with 1727 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 46023 0 1727 8.8568108e-05 0 1319 408 8.9664279e-12 6.5198699e-12 2.446558e-12 -number of iterations: 4587 -maxz = 1.019244e-04 -S-sub-bulk = 1.320167e-02 -S-sub-base = 1.243057e-02 -S-nh4-bulk = 2.218609e-02 -S-nh4-base = 2.188972e-02 - - 46024 0.34537983 1885 8.8775267e-05 0 1432 453 9.4840964e-12 6.9625375e-12 2.521559e-12 -Loop time of 0.345397 on 4 procs for 1 steps with 1885 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 46024 0 1885 8.8775267e-05 0 1432 453 9.4840964e-12 6.9625375e-12 2.521559e-12 - 46046 0.0077869892 1885 8.9941327e-05 0 1432 453 9.4840964e-12 6.9625375e-12 2.521559e-12 - 47047 0.26287198 1885 9.2517397e-05 0 1432 453 9.4840964e-12 6.9625375e-12 2.521559e-12 - 48024 0.47494698 1885 9.2925734e-05 0 1432 453 9.4840964e-12 6.9625375e-12 2.521559e-12 -Loop time of 0.474967 on 4 procs for 2000 steps with 1885 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 48024 0 1885 9.2925734e-05 0 1432 453 9.4840964e-12 6.9625375e-12 2.521559e-12 -number of iterations: 5000 -maxz = 1.061490e-04 -S-sub-bulk = 1.231701e-02 -S-sub-base = 1.131179e-02 -S-nh4-bulk = 2.195873e-02 -S-nh4-base = 2.159356e-02 - - 48025 0.40268111 2010 9.3229029e-05 0 1514 496 1.0021874e-11 7.4232711e-12 2.5986032e-12 -Loop time of 0.402696 on 4 procs for 1 steps with 2010 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 48025 0 2010 9.3229029e-05 0 1514 496 1.0021874e-11 7.4232711e-12 2.5986032e-12 - 48048 0.0086410046 2010 9.427767e-05 0 1514 496 1.0021874e-11 7.4232711e-12 2.5986032e-12 - 49049 0.28035283 2010 9.6231491e-05 0 1514 496 1.0021874e-11 7.4232711e-12 2.5986032e-12 - 50025 0.51861191 2010 9.6952407e-05 0 1514 496 1.0021874e-11 7.4232711e-12 2.5986032e-12 -Loop time of 0.518632 on 4 procs for 2000 steps with 2010 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 50025 0 2010 9.6952407e-05 0 1514 496 1.0021874e-11 7.4232711e-12 2.5986032e-12 -number of iterations: 5000 -maxz = 1.119388e-04 -S-sub-bulk = 1.143777e-02 -S-sub-base = 1.030902e-02 -S-nh4-bulk = 2.172246e-02 -S-nh4-base = 2.135297e-02 - - 50026 0.40307498 2086 9.7379504e-05 0 1567 519 1.0580705e-11 7.9027417e-12 2.6779628e-12 -Loop time of 0.40309 on 4 procs for 1 steps with 2086 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 50026 0 2086 9.7379504e-05 0 1567 519 1.0580705e-11 7.9027417e-12 2.6779628e-12 - 50050 0.0098958015 2086 9.8259928e-05 0 1567 519 1.0580705e-11 7.9027417e-12 2.6779628e-12 - 51051 0.29777479 2086 0.00010015258 0 1567 519 1.0580705e-11 7.9027417e-12 2.6779628e-12 - 52026 0.52943993 2086 0.00010036928 0 1567 519 1.0580705e-11 7.9027417e-12 2.6779628e-12 -Loop time of 0.529462 on 4 procs for 2000 steps with 2086 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 52026 0 2086 0.00010036928 0 1567 519 1.0580705e-11 7.9027417e-12 2.6779628e-12 -number of iterations: 5000 -maxz = 1.141412e-04 -S-sub-bulk = 1.061463e-02 -S-sub-base = 9.237518e-03 -S-nh4-bulk = 2.148634e-02 -S-nh4-base = 2.104897e-02 - - 52027 0.4290061 2180 0.0001005489 0 1624 556 1.1155367e-11 8.3959581e-12 2.7594087e-12 -Loop time of 0.429021 on 4 procs for 1 steps with 2180 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 52027 0 2180 0.0001005489 0 1624 556 1.1155367e-11 8.3959581e-12 2.7594087e-12 - 52052 0.010742188 2180 0.00010170712 0 1624 556 1.1155367e-11 8.3959581e-12 2.7594087e-12 - 53053 0.333143 2180 0.00010475342 0 1624 556 1.1155367e-11 8.3959581e-12 2.7594087e-12 - 54027 0.589221 2180 0.00010505573 0 1624 556 1.1155367e-11 8.3959581e-12 2.7594087e-12 -Loop time of 0.589242 on 4 procs for 2000 steps with 2180 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 54027 0 2180 0.00010505573 0 1624 556 1.1155367e-11 8.3959581e-12 2.7594087e-12 -number of iterations: 5000 -maxz = 1.175031e-04 -S-sub-bulk = 9.823593e-03 -S-sub-base = 8.291376e-03 -S-nh4-bulk = 2.124007e-02 -S-nh4-base = 2.079676e-02 - - 54028 0.43278503 2271 0.00010524365 0 1691 580 1.1746923e-11 8.9036347e-12 2.8432887e-12 -Loop time of 0.432799 on 4 procs for 1 steps with 2271 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 54028 0 2271 0.00010524365 0 1691 580 1.1746923e-11 8.9036347e-12 2.8432887e-12 - 54054 0.011728048 2271 0.00010638005 0 1691 580 1.1746923e-11 8.9036347e-12 2.8432887e-12 - 55055 0.35343289 2271 0.00010942443 0 1691 580 1.1746923e-11 8.9036347e-12 2.8432887e-12 - 56028 0.63235998 2271 0.00010983299 0 1691 580 1.1746923e-11 8.9036347e-12 2.8432887e-12 -Loop time of 0.632392 on 4 procs for 2000 steps with 2271 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 56028 0 2271 0.00010983299 0 1691 580 1.1746923e-11 8.9036347e-12 2.8432887e-12 -number of iterations: 5000 -maxz = 1.219609e-04 -S-sub-bulk = 9.072690e-03 -S-sub-base = 7.443224e-03 -S-nh4-bulk = 2.098316e-02 -S-nh4-base = 2.055012e-02 - - 56029 0.44312096 2381 0.00011010667 0 1771 610 1.2353814e-11 9.4241039e-12 2.9297098e-12 -Loop time of 0.443137 on 4 procs for 1 steps with 2381 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 56029 0 2381 0.00011010667 0 1771 610 1.2353814e-11 9.4241039e-12 2.9297098e-12 - 56056 0.013148069 2381 0.00011117822 0 1771 610 1.2353814e-11 9.4241039e-12 2.9297098e-12 - 57057 0.36178088 2381 0.00011400209 0 1771 610 1.2353814e-11 9.4241039e-12 2.9297098e-12 - 58029 0.64983106 2381 0.00011446599 0 1771 610 1.2353814e-11 9.4241039e-12 2.9297098e-12 -Loop time of 0.649852 on 4 procs for 2000 steps with 2381 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 58029 0 2381 0.00011446599 0 1771 610 1.2353814e-11 9.4241039e-12 2.9297098e-12 -number of iterations: 5000 -maxz = 1.259200e-04 -S-sub-bulk = 8.436579e-03 -S-sub-base = 6.549374e-03 -S-nh4-bulk = 2.072683e-02 -S-nh4-base = 2.023704e-02 - - 58030 0.46466088 2486 0.00011453692 0 1859 627 1.2967676e-11 9.9492915e-12 3.0183846e-12 -Loop time of 0.464679 on 4 procs for 1 steps with 2486 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 58030 0 2486 0.00011453692 0 1859 627 1.2967676e-11 9.9492915e-12 3.0183846e-12 - 58058 0.013999939 2486 0.00011576702 0 1859 627 1.2967676e-11 9.9492915e-12 3.0183846e-12 - 59059 0.38457799 2486 0.0001188753 0 1859 627 1.2967676e-11 9.9492915e-12 3.0183846e-12 - 60030 0.68166709 2486 0.00011969983 0 1859 627 1.2967676e-11 9.9492915e-12 3.0183846e-12 -Loop time of 0.681688 on 4 procs for 2000 steps with 2486 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 60030 0 2486 0.00011969983 0 1859 627 1.2967676e-11 9.9492915e-12 3.0183846e-12 -number of iterations: 5000 -maxz = 1.314482e-04 -S-sub-bulk = 7.862882e-03 -S-sub-base = 5.794911e-03 -S-nh4-bulk = 2.045939e-02 -S-nh4-base = 1.996479e-02 - - 60031 0.47456098 2615 0.00011986604 0 1965 650 1.3590868e-11 1.0481164e-11 3.109704e-12 -Loop time of 0.474574 on 4 procs for 1 steps with 2615 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 60031 0 2615 0.00011986604 0 1965 650 1.3590868e-11 1.0481164e-11 3.109704e-12 - 60060 0.015117884 2615 0.00012120284 0 1965 650 1.3590868e-11 1.0481164e-11 3.109704e-12 - 61061 0.3995049 2615 0.0001240807 0 1965 650 1.3590868e-11 1.0481164e-11 3.109704e-12 - 62031 0.71020103 2615 0.00012441711 0 1965 650 1.3590868e-11 1.0481164e-11 3.109704e-12 -Loop time of 0.710222 on 4 procs for 2000 steps with 2615 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 62031 0 2615 0.00012441711 0 1965 650 1.3590868e-11 1.0481164e-11 3.109704e-12 -number of iterations: 5000 -maxz = 1.374470e-04 -S-sub-bulk = 7.436088e-03 -S-sub-base = 5.059133e-03 -S-nh4-bulk = 2.019322e-02 -S-nh4-base = 1.964246e-02 - - 62032 0.49983501 2789 0.00012470778 0 2108 681 1.4213556e-11 1.101021e-11 3.2033455e-12 -Loop time of 0.49985 on 4 procs for 1 steps with 2789 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 62032 0 2789 0.00012470778 0 2108 681 1.4213556e-11 1.101021e-11 3.2033455e-12 - 62062 0.017061949 2789 0.00012603687 0 2108 681 1.4213556e-11 1.101021e-11 3.2033455e-12 - 63063 0.42826891 2789 0.0001290059 0 2108 681 1.4213556e-11 1.101021e-11 3.2033455e-12 - 64032 0.77570605 2789 0.00012968423 0 2108 681 1.4213556e-11 1.101021e-11 3.2033455e-12 -Loop time of 0.775727 on 4 procs for 2000 steps with 2789 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 64032 0 2789 0.00012968423 0 2108 681 1.4213556e-11 1.101021e-11 3.2033455e-12 -number of iterations: 5000 -maxz = 1.426670e-04 -S-sub-bulk = 7.055069e-03 -S-sub-base = 4.476644e-03 -S-nh4-bulk = 1.991565e-02 -S-nh4-base = 1.935309e-02 - - 64033 0.50328398 2959 0.00012983181 0 2256 703 1.4841962e-11 1.1542234e-11 3.2997274e-12 -Loop time of 0.503301 on 4 procs for 1 steps with 2959 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 64033 0 2959 0.00012983181 0 2256 703 1.4841962e-11 1.1542234e-11 3.2997274e-12 - 64064 0.018671989 2959 0.0001312275 0 2256 703 1.4841962e-11 1.1542234e-11 3.2997274e-12 - 65065 0.47248483 2959 0.00013402417 0 2256 703 1.4841962e-11 1.1542234e-11 3.2997274e-12 - 66033 0.85484195 2959 0.00013476773 0 2256 703 1.4841962e-11 1.1542234e-11 3.2997274e-12 -Loop time of 0.854863 on 4 procs for 2000 steps with 2959 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 66033 0 2959 0.00013476773 0 2256 703 1.4841962e-11 1.1542234e-11 3.2997274e-12 -number of iterations: 5000 -maxz = 1.473329e-04 -S-sub-bulk = 6.808006e-03 -S-sub-base = 3.940071e-03 -S-nh4-bulk = 1.963931e-02 -S-nh4-base = 1.902538e-02 - - 66034 0.52972293 3145 0.00013489648 0 2408 737 1.5466347e-11 1.2067827e-11 3.3985206e-12 -Loop time of 0.529737 on 4 procs for 1 steps with 3145 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 66034 0 3145 0.00013489648 0 2408 737 1.5466347e-11 1.2067827e-11 3.3985206e-12 - 66066 0.020084143 3145 0.00013624262 0 2408 737 1.5466347e-11 1.2067827e-11 3.3985206e-12 - 67067 0.5034411 3145 0.0001390384 0 2408 737 1.5466347e-11 1.2067827e-11 3.3985206e-12 - 68034 0.9045651 3145 0.00013962353 0 2408 737 1.5466347e-11 1.2067827e-11 3.3985206e-12 -Loop time of 0.904586 on 4 procs for 2000 steps with 3145 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 68034 0 3145 0.00013962353 0 2408 737 1.5466347e-11 1.2067827e-11 3.3985206e-12 -number of iterations: 5000 -maxz = 1.505592e-04 -S-sub-bulk = 6.567127e-03 -S-sub-base = 3.526417e-03 -S-nh4-bulk = 1.935206e-02 -S-nh4-base = 1.871958e-02 - - 68035 0.54047108 3310 0.0001397661 0 2542 768 1.6095784e-11 1.2595658e-11 3.5001256e-12 -Loop time of 0.540488 on 4 procs for 1 steps with 3310 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 68035 0 3310 0.0001397661 0 2542 768 1.6095784e-11 1.2595658e-11 3.5001256e-12 - 68068 0.023127794 3310 0.00014107582 0 2542 768 1.6095784e-11 1.2595658e-11 3.5001256e-12 - 69069 0.53302598 3310 0.00014391919 0 2542 768 1.6095784e-11 1.2595658e-11 3.5001256e-12 - 70035 0.94587493 3310 0.00014455361 0 2542 768 1.6095784e-11 1.2595658e-11 3.5001256e-12 -Loop time of 0.945896 on 4 procs for 2000 steps with 3310 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 70035 0 3310 0.00014455361 0 2542 768 1.6095784e-11 1.2595658e-11 3.5001256e-12 -number of iterations: 5000 -maxz = 1.571350e-04 -S-sub-bulk = 6.439019e-03 -S-sub-base = 3.145111e-03 -S-nh4-bulk = 1.906771e-02 -S-nh4-base = 1.838308e-02 - - 70036 0.56707883 3464 0.00014472115 0 2673 791 1.6719764e-11 1.3115594e-11 3.6041697e-12 -Loop time of 0.567093 on 4 procs for 1 steps with 3464 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 70036 0 3464 0.00014472115 0 2673 791 1.6719764e-11 1.3115594e-11 3.6041697e-12 - 70070 0.024743795 3464 0.00014612382 0 2673 791 1.6719764e-11 1.3115594e-11 3.6041697e-12 - 71071 0.55090785 3464 0.00014906817 0 2673 791 1.6719764e-11 1.3115594e-11 3.6041697e-12 - 72036 0.98678684 3464 0.00014997084 0 2673 791 1.6719764e-11 1.3115594e-11 3.6041697e-12 -Loop time of 0.986809 on 4 procs for 2000 steps with 3464 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 72036 0 3464 0.00014997084 0 2673 791 1.6719764e-11 1.3115594e-11 3.6041697e-12 -number of iterations: 5000 -maxz = 1.617666e-04 -S-sub-bulk = 6.273489e-03 -S-sub-base = 2.851808e-03 -S-nh4-bulk = 1.877289e-02 -S-nh4-base = 1.806423e-02 - - 72037 0.57017207 3589 0.00015015556 0 2789 800 1.7350036e-11 1.3638957e-11 3.711079e-12 -Loop time of 0.570186 on 4 procs for 1 steps with 3589 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 72037 0 3589 0.00015015556 0 2789 800 1.7350036e-11 1.3638957e-11 3.711079e-12 - 72072 0.026257992 3589 0.00015125905 0 2789 800 1.7350036e-11 1.3638957e-11 3.711079e-12 - 73073 0.56884909 3589 0.00015345672 0 2789 800 1.7350036e-11 1.3638957e-11 3.711079e-12 - 74037 1.0171089 3589 0.00015406184 0 2789 800 1.7350036e-11 1.3638957e-11 3.711079e-12 -Loop time of 1.01713 on 4 procs for 2000 steps with 3589 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 74037 0 3589 0.00015406184 0 2789 800 1.7350036e-11 1.3638957e-11 3.711079e-12 -number of iterations: 5000 -maxz = 1.660212e-04 -S-sub-bulk = 6.219372e-03 -S-sub-base = 2.574782e-03 -S-nh4-bulk = 1.848460e-02 -S-nh4-base = 1.771626e-02 - - 74038 0.59473896 3704 0.00015428121 0 2904 800 1.7973105e-11 1.4152737e-11 3.820368e-12 -Loop time of 0.594753 on 4 procs for 1 steps with 3704 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 74038 0 3704 0.00015428121 0 2904 800 1.7973105e-11 1.4152737e-11 3.820368e-12 - 74074 0.028635979 3704 0.0001553092 0 2904 800 1.7973105e-11 1.4152737e-11 3.820368e-12 - 75075 0.60852885 3704 0.00015795132 0 2904 800 1.7973105e-11 1.4152737e-11 3.820368e-12 - 76038 1.0549629 3704 0.00015823441 0 2904 800 1.7973105e-11 1.4152737e-11 3.820368e-12 -Loop time of 1.05498 on 4 procs for 2000 steps with 3704 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 76038 0 3704 0.00015823441 0 2904 800 1.7973105e-11 1.4152737e-11 3.820368e-12 -number of iterations: 5000 -maxz = 1.702059e-04 -S-sub-bulk = 6.106817e-03 -S-sub-base = 2.355740e-03 -S-nh4-bulk = 1.818737e-02 -S-nh4-base = 1.738470e-02 - - 76039 0.60150003 3771 0.00015824868 0 2971 800 1.8602652e-11 1.4670149e-11 3.9325027e-12 -Loop time of 0.601513 on 4 procs for 1 steps with 3771 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 76039 0 3771 0.00015824868 0 2971 800 1.8602652e-11 1.4670149e-11 3.9325027e-12 - 76076 0.030261993 3771 0.000159214 0 2971 800 1.8602652e-11 1.4670149e-11 3.9325027e-12 - 77077 0.63600397 3771 0.00016149685 0 2971 800 1.8602652e-11 1.4670149e-11 3.9325027e-12 - 78039 1.1275601 3771 0.00016200186 0 2971 800 1.8602652e-11 1.4670149e-11 3.9325027e-12 -Loop time of 1.12758 on 4 procs for 2000 steps with 3771 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 78039 0 3771 0.00016200186 0 2971 800 1.8602652e-11 1.4670149e-11 3.9325027e-12 -number of iterations: 5000 -maxz = 1.743388e-04 -S-sub-bulk = 6.102735e-03 -S-sub-base = 2.147929e-03 -S-nh4-bulk = 1.789961e-02 -S-nh4-base = 1.703519e-02 - - 78040 0.63514686 3860 0.00016224128 0 3059 801 1.9223962e-11 1.5177027e-11 4.0469355e-12 -Loop time of 0.635161 on 4 procs for 1 steps with 3860 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 78040 0 3860 0.00016224128 0 3059 801 1.9223962e-11 1.5177027e-11 4.0469355e-12 - 78078 0.0320158 3860 0.0001635141 0 3059 801 1.9223962e-11 1.5177027e-11 4.0469355e-12 - 79079 0.65491796 3860 0.00016620261 0 3059 801 1.9223962e-11 1.5177027e-11 4.0469355e-12 - 80040 1.1693928 3860 0.00016665144 0 3059 801 1.9223962e-11 1.5177027e-11 4.0469355e-12 -Loop time of 1.16941 on 4 procs for 2000 steps with 3860 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 80040 0 3860 0.00016665144 0 3059 801 1.9223962e-11 1.5177027e-11 4.0469355e-12 -number of iterations: 5000 -maxz = 1.779923e-04 -S-sub-bulk = 6.010140e-03 -S-sub-base = 1.982570e-03 -S-nh4-bulk = 1.760355e-02 -S-nh4-base = 1.670056e-02 - - 80041 0.64083004 3949 0.00016681905 0 3146 803 1.9853386e-11 1.5689203e-11 4.164183e-12 -Loop time of 0.640845 on 4 procs for 1 steps with 3949 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 80041 0 3949 0.00016681905 0 3146 803 1.9853386e-11 1.5689203e-11 4.164183e-12 - 80080 0.033856153 3949 0.00016799594 0 3146 803 1.9853386e-11 1.5689203e-11 4.164183e-12 - 81081 0.66676307 3949 0.00017062677 0 3146 803 1.9853386e-11 1.5689203e-11 4.164183e-12 - 82041 1.1799102 3949 0.00017116478 0 3146 803 1.9853386e-11 1.5689203e-11 4.164183e-12 -Loop time of 1.17993 on 4 procs for 2000 steps with 3949 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 82041 0 3949 0.00017116478 0 3146 803 1.9853386e-11 1.5689203e-11 4.164183e-12 -number of iterations: 3883 -maxz = 1.820018e-04 -S-sub-bulk = 5.784090e-03 -S-sub-base = 1.900172e-03 -S-nh4-bulk = 1.729056e-02 -S-nh4-base = 1.644547e-02 - - 82042 0.49525404 4037 0.00017113638 0 3229 808 2.049766e-11 1.6213047e-11 4.2846128e-12 -Loop time of 0.495269 on 4 procs for 1 steps with 4037 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 82042 0 4037 0.00017113638 0 3229 808 2.049766e-11 1.6213047e-11 4.2846128e-12 - 82082 0.036570072 4037 0.00017225871 0 3229 808 2.049766e-11 1.6213047e-11 4.2846128e-12 - 83083 0.67790914 4037 0.00017489323 0 3229 808 2.049766e-11 1.6213047e-11 4.2846128e-12 - 84042 1.220526 4037 0.00017567358 0 3229 808 2.049766e-11 1.6213047e-11 4.2846128e-12 -Loop time of 1.22055 on 4 procs for 2000 steps with 4037 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 84042 0 4037 0.00017567358 0 3229 808 2.049766e-11 1.6213047e-11 4.2846128e-12 -number of iterations: 5000 -maxz = 1.875399e-04 -S-sub-bulk = 5.757320e-03 -S-sub-base = 1.742847e-03 -S-nh4-bulk = 1.699447e-02 -S-nh4-base = 1.606538e-02 - - 84043 0.6676302 4152 0.00017588418 0 3334 818 2.1127888e-11 1.6720664e-11 4.4072241e-12 -Loop time of 0.667644 on 4 procs for 1 steps with 4152 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 84043 0 4152 0.00017588418 0 3334 818 2.1127888e-11 1.6720664e-11 4.4072241e-12 - 84084 0.038310051 4152 0.00017734118 0 3334 818 2.1127888e-11 1.6720664e-11 4.4072241e-12 - 85085 0.71013904 4152 0.00017983924 0 3334 818 2.1127888e-11 1.6720664e-11 4.4072241e-12 - 86043 1.2611251 4152 0.00018047981 0 3334 818 2.1127888e-11 1.6720664e-11 4.4072241e-12 -Loop time of 1.26115 on 4 procs for 2000 steps with 4152 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 86043 0 4152 0.00018047981 0 3334 818 2.1127888e-11 1.6720664e-11 4.4072241e-12 -number of iterations: 5000 -maxz = 1.910350e-04 -S-sub-bulk = 5.685777e-03 -S-sub-base = 1.591411e-03 -S-nh4-bulk = 1.669310e-02 -S-nh4-base = 1.570627e-02 - - 86044 0.67139292 4259 0.00018067679 0 3423 836 2.1762684e-11 1.7230068e-11 4.5326164e-12 -Loop time of 0.671407 on 4 procs for 1 steps with 4259 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 86044 0 4259 0.00018067679 0 3423 836 2.1762684e-11 1.7230068e-11 4.5326164e-12 - 86086 0.040273905 4259 0.00018193527 0 3423 836 2.1762684e-11 1.7230068e-11 4.5326164e-12 - 87087 0.73077798 4259 0.00018425714 0 3423 836 2.1762684e-11 1.7230068e-11 4.5326164e-12 - 88044 1.303915 4259 0.00018485485 0 3423 836 2.1762684e-11 1.7230068e-11 4.5326164e-12 -Loop time of 1.30394 on 4 procs for 2000 steps with 4259 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 88044 0 4259 0.00018485485 0 3423 836 2.1762684e-11 1.7230068e-11 4.5326164e-12 -number of iterations: 5000 -maxz = 1.965211e-04 -S-sub-bulk = 5.749800e-03 -S-sub-base = 1.463842e-03 -S-nh4-bulk = 1.641647e-02 -S-nh4-base = 1.534998e-02 - - 88045 0.72882295 4386 0.00018512823 0 3521 865 2.2385426e-11 1.772561e-11 4.6598161e-12 -Loop time of 0.728838 on 4 procs for 1 steps with 4386 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 88045 0 4386 0.00018512823 0 3521 865 2.2385426e-11 1.772561e-11 4.6598161e-12 - 88088 0.042248011 4386 0.00018630769 0 3521 865 2.2385426e-11 1.772561e-11 4.6598161e-12 - 89089 0.77168083 4386 0.00018894074 0 3521 865 2.2385426e-11 1.772561e-11 4.6598161e-12 - 90045 1.3769069 4386 0.00018968721 0 3521 865 2.2385426e-11 1.772561e-11 4.6598161e-12 -Loop time of 1.37693 on 4 procs for 2000 steps with 4386 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 90045 0 4386 0.00018968721 0 3521 865 2.2385426e-11 1.772561e-11 4.6598161e-12 -number of iterations: 5000 -maxz = 2.010189e-04 -S-sub-bulk = 5.688318e-03 -S-sub-base = 1.359991e-03 -S-nh4-bulk = 1.613886e-02 -S-nh4-base = 1.501077e-02 - - 90046 0.723387 4497 0.00018986184 0 3603 894 2.3017941e-11 1.8228469e-11 4.7894724e-12 -Loop time of 0.723402 on 4 procs for 1 steps with 4497 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 90046 0 4497 0.00018986184 0 3603 894 2.3017941e-11 1.8228469e-11 4.7894724e-12 - 90090 0.043448925 4497 0.00019131326 0 3603 894 2.3017941e-11 1.8228469e-11 4.7894724e-12 - 91091 0.81189084 4497 0.00019348978 0 3603 894 2.3017941e-11 1.8228469e-11 4.7894724e-12 - 92046 1.417423 4497 0.00019436934 0 3603 894 2.3017941e-11 1.8228469e-11 4.7894724e-12 -Loop time of 1.41745 on 4 procs for 2000 steps with 4497 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 92046 0 4497 0.00019436934 0 3603 894 2.3017941e-11 1.8228469e-11 4.7894724e-12 -number of iterations: 5000 -maxz = 2.062001e-04 -S-sub-bulk = 5.739808e-03 -S-sub-base = 1.276858e-03 -S-nh4-bulk = 1.589767e-02 -S-nh4-base = 1.467824e-02 - - 92047 0.7417419 4633 0.00019457586 0 3709 924 2.3639899e-11 1.8719576e-11 4.9203229e-12 -Loop time of 0.741756 on 4 procs for 1 steps with 4633 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 92047 0 4633 0.00019457586 0 3709 924 2.3639899e-11 1.8719576e-11 4.9203229e-12 - 92092 0.045859098 4633 0.0001960901 0 3709 924 2.3639899e-11 1.8719576e-11 4.9203229e-12 - 93093 0.81335998 4633 0.00019833389 0 3709 924 2.3639899e-11 1.8719576e-11 4.9203229e-12 - 94047 1.435122 4633 0.00019900031 0 3709 924 2.3639899e-11 1.8719576e-11 4.9203229e-12 -Loop time of 1.43514 on 4 procs for 2000 steps with 4633 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 94047 0 4633 0.00019900031 0 3709 924 2.3639899e-11 1.8719576e-11 4.9203229e-12 -number of iterations: 5000 -maxz = 2.081001e-04 -S-sub-bulk = 5.682709e-03 -S-sub-base = 1.195175e-03 -S-nh4-bulk = 1.566118e-02 -S-nh4-base = 1.436840e-02 - - 94048 0.73493481 4775 0.00019929202 0 3817 958 2.4270016e-11 1.9216901e-11 5.0531152e-12 -Loop time of 0.734948 on 4 procs for 1 steps with 4775 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 94048 0 4775 0.00019929202 0 3817 958 2.4270016e-11 1.9216901e-11 5.0531152e-12 - 94094 0.048979044 4775 0.00020071841 0 3817 958 2.4270016e-11 1.9216901e-11 5.0531152e-12 - 95095 0.82075596 4775 0.00020272592 0 3817 958 2.4270016e-11 1.9216901e-11 5.0531152e-12 - 96048 1.4737601 4775 0.00020312261 0 3817 958 2.4270016e-11 1.9216901e-11 5.0531152e-12 -Loop time of 1.47378 on 4 procs for 2000 steps with 4775 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 96048 0 4775 0.00020312261 0 3817 958 2.4270016e-11 1.9216901e-11 5.0531152e-12 -number of iterations: 4440 -maxz = 2.160588e-04 -S-sub-bulk = 5.483427e-03 -S-sub-base = 1.157128e-03 -S-nh4-bulk = 1.540306e-02 -S-nh4-base = 1.411814e-02 - - 96049 0.66343093 4932 0.0002035198 0 3929 1003 2.4914798e-11 1.9726099e-11 5.1886995e-12 -Loop time of 0.663447 on 4 procs for 1 steps with 4932 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 96049 0 4932 0.0002035198 0 3929 1003 2.4914798e-11 1.9726099e-11 5.1886995e-12 - 96096 0.05380702 4932 0.00020521852 0 3929 1003 2.4914798e-11 1.9726099e-11 5.1886995e-12 - 97097 0.8565259 4932 0.000207487 0 3929 1003 2.4914798e-11 1.9726099e-11 5.1886995e-12 - 98049 1.55199 4932 0.00020831885 0 3929 1003 2.4914798e-11 1.9726099e-11 5.1886995e-12 -Loop time of 1.55201 on 4 procs for 2000 steps with 4932 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 98049 0 4932 0.00020831885 0 3929 1003 2.4914798e-11 1.9726099e-11 5.1886995e-12 -number of iterations: 5000 -maxz = 2.170432e-04 -S-sub-bulk = 5.513807e-03 -S-sub-base = 1.091032e-03 -S-nh4-bulk = 1.519858e-02 -S-nh4-base = 1.382060e-02 - - 98050 0.77242303 5075 0.00020855793 0 4031 1044 2.5540896e-11 2.0216182e-11 5.3247146e-12 -Loop time of 0.772438 on 4 procs for 1 steps with 5075 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 98050 0 5075 0.00020855793 0 4031 1044 2.5540896e-11 2.0216182e-11 5.3247146e-12 - 98098 0.056834936 5075 0.00020998765 0 4031 1044 2.5540896e-11 2.0216182e-11 5.3247146e-12 - 99099 0.89114094 5075 0.00021182797 0 4031 1044 2.5540896e-11 2.0216182e-11 5.3247146e-12 - 100050 1.6434379 5075 0.00021259483 0 4031 1044 2.5540896e-11 2.0216182e-11 5.3247146e-12 -Loop time of 1.64346 on 4 procs for 2000 steps with 5075 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 100050 0 5075 0.00021259483 0 4031 1044 2.5540896e-11 2.0216182e-11 5.3247146e-12 -number of iterations: 5000 -maxz = 2.247803e-04 -S-sub-bulk = 5.478353e-03 -S-sub-base = 1.009791e-03 -S-nh4-bulk = 1.500169e-02 -S-nh4-base = 1.354682e-02 - - 100051 0.77616811 5217 0.0002127633 0 4128 1089 2.6171376e-11 2.0709137e-11 5.4622392e-12 -Loop time of 0.776186 on 4 procs for 1 steps with 5217 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 100051 0 5217 0.0002127633 0 4128 1089 2.6171376e-11 2.0709137e-11 5.4622392e-12 - 100100 0.058193922 5217 0.00021399086 0 4128 1089 2.6171376e-11 2.0709137e-11 5.4622392e-12 - 101101 0.92311001 5217 0.00021643301 0 4128 1089 2.6171376e-11 2.0709137e-11 5.4622392e-12 - 102051 1.63693 5217 0.00021699938 0 4128 1089 2.6171376e-11 2.0709137e-11 5.4622392e-12 -Loop time of 1.63695 on 4 procs for 2000 steps with 5217 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 102051 0 5217 0.00021699938 0 4128 1089 2.6171376e-11 2.0709137e-11 5.4622392e-12 -number of iterations: 5000 -maxz = 2.279241e-04 -S-sub-bulk = 5.586952e-03 -S-sub-base = 9.539153e-04 -S-nh4-bulk = 1.487834e-02 -S-nh4-base = 1.329289e-02 - - 102052 0.83106899 5372 0.00021714328 0 4237 1135 2.6786396e-11 2.1187428e-11 5.5989676e-12 -Loop time of 0.831084 on 4 procs for 1 steps with 5372 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 102052 0 5372 0.00021714328 0 4237 1135 2.6786396e-11 2.1187428e-11 5.5989676e-12 - 102102 0.059875965 5372 0.00021860641 0 4237 1135 2.6786396e-11 2.1187428e-11 5.5989676e-12 - 103103 0.9576118 5372 0.00022050484 0 4237 1135 2.6786396e-11 2.1187428e-11 5.5989676e-12 - 104052 1.7545948 5372 0.00022117349 0 4237 1135 2.6786396e-11 2.1187428e-11 5.5989676e-12 -Loop time of 1.75462 on 4 procs for 2000 steps with 5372 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 104052 0 5372 0.00022117349 0 4237 1135 2.6786396e-11 2.1187428e-11 5.5989676e-12 -number of iterations: 5000 -maxz = 2.309630e-04 -S-sub-bulk = 5.544197e-03 -S-sub-base = 9.016649e-04 -S-nh4-bulk = 1.475771e-02 -S-nh4-base = 1.307721e-02 - - 104053 0.79815507 5513 0.00022145402 0 4333 1180 2.7411622e-11 2.1674981e-11 5.7366405e-12 -Loop time of 0.798168 on 4 procs for 1 steps with 5513 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 104053 0 5513 0.00022145402 0 4333 1180 2.7411622e-11 2.1674981e-11 5.7366405e-12 - 104104 0.064468145 5513 0.0002225272 0 4333 1180 2.7411622e-11 2.1674981e-11 5.7366405e-12 - 105105 0.99031806 5513 0.00022448985 0 4333 1180 2.7411622e-11 2.1674981e-11 5.7366405e-12 - 106053 1.738647 5513 0.00022490871 0 4333 1180 2.7411622e-11 2.1674981e-11 5.7366405e-12 -Loop time of 1.73867 on 4 procs for 2000 steps with 5513 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 106053 0 5513 0.00022490871 0 4333 1180 2.7411622e-11 2.1674981e-11 5.7366405e-12 -number of iterations: 5000 -maxz = 2.337817e-04 -S-sub-bulk = 5.645469e-03 -S-sub-base = 8.682364e-04 -S-nh4-bulk = 1.471378e-02 -S-nh4-base = 1.289210e-02 - - 106054 0.839854 5657 0.00022494431 0 4437 1220 2.8021204e-11 2.2148479e-11 5.8727248e-12 -Loop time of 0.839868 on 4 procs for 1 steps with 5657 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 106054 0 5657 0.00022494431 0 4437 1220 2.8021204e-11 2.2148479e-11 5.8727248e-12 - 106106 0.06755209 5657 0.00022651182 0 4437 1220 2.8021204e-11 2.2148479e-11 5.8727248e-12 - 107107 1.026932 5657 0.00022859127 0 4437 1220 2.8021204e-11 2.2148479e-11 5.8727248e-12 - 108054 1.832968 5657 0.00022897811 0 4437 1220 2.8021204e-11 2.2148479e-11 5.8727248e-12 -Loop time of 1.83299 on 4 procs for 2000 steps with 5657 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 108054 0 5657 0.00022897811 0 4437 1220 2.8021204e-11 2.2148479e-11 5.8727248e-12 -number of iterations: 5000 -maxz = 2.406305e-04 -S-sub-bulk = 5.593464e-03 -S-sub-base = 8.295989e-04 -S-nh4-bulk = 1.466079e-02 -S-nh4-base = 1.274637e-02 - - 108055 0.89005995 5790 0.00022909609 0 4536 1254 2.8641239e-11 2.2631799e-11 6.0094397e-12 -Loop time of 0.890076 on 4 procs for 1 steps with 5790 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 108055 0 5790 0.00022909609 0 4536 1254 2.8641239e-11 2.2631799e-11 6.0094397e-12 - 108108 0.069858074 5790 0.00023057478 0 4536 1254 2.8641239e-11 2.2631799e-11 6.0094397e-12 - 109109 1.053103 5790 0.00023328804 0 4536 1254 2.8641239e-11 2.2631799e-11 6.0094397e-12 - 110055 1.835582 5790 0.00023381326 0 4536 1254 2.8641239e-11 2.2631799e-11 6.0094397e-12 -Loop time of 1.83561 on 4 procs for 2000 steps with 5790 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 110055 0 5790 0.00023381326 0 4536 1254 2.8641239e-11 2.2631799e-11 6.0094397e-12 -number of iterations: 5000 -maxz = 2.428164e-04 -S-sub-bulk = 5.674498e-03 -S-sub-base = 8.063152e-04 -S-nh4-bulk = 1.467701e-02 -S-nh4-base = 1.263207e-02 - - 110056 0.91167808 5915 0.00023398631 0 4625 1290 2.9246866e-11 2.3102653e-11 6.1442134e-12 -Loop time of 0.911693 on 4 procs for 1 steps with 5915 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 110056 0 5915 0.00023398631 0 4625 1290 2.9246866e-11 2.3102653e-11 6.1442134e-12 - 110110 0.076087952 5915 0.0002357067 0 4625 1290 2.9246866e-11 2.3102653e-11 6.1442134e-12 - 111111 1.08915 5915 0.00023773682 0 4625 1290 2.9246866e-11 2.3102653e-11 6.1442134e-12 - 112056 1.869447 5915 0.00023793981 0 4625 1290 2.9246866e-11 2.3102653e-11 6.1442134e-12 -Loop time of 1.86947 on 4 procs for 2000 steps with 5915 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 112056 0 5915 0.00023793981 0 4625 1290 2.9246866e-11 2.3102653e-11 6.1442134e-12 -number of iterations: 5000 -maxz = 2.472663e-04 -S-sub-bulk = 5.617886e-03 -S-sub-base = 7.740991e-04 -S-nh4-bulk = 1.466538e-02 -S-nh4-base = 1.255072e-02 - - 112057 0.89593196 6041 0.00023807633 0 4718 1323 2.986217e-11 2.3582455e-11 6.2797157e-12 -Loop time of 0.895947 on 4 procs for 1 steps with 6041 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 112057 0 6041 0.00023807633 0 4718 1323 2.986217e-11 2.3582455e-11 6.2797157e-12 - 112112 0.074903965 6041 0.00023962552 0 4718 1323 2.986217e-11 2.3582455e-11 6.2797157e-12 - 113113 1.0953381 6041 0.00024174002 0 4718 1323 2.986217e-11 2.3582455e-11 6.2797157e-12 - 114057 1.916048 6041 0.00024238289 0 4718 1323 2.986217e-11 2.3582455e-11 6.2797157e-12 -Loop time of 1.91607 on 4 procs for 2000 steps with 6041 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 114057 0 6041 0.00024238289 0 4718 1323 2.986217e-11 2.3582455e-11 6.2797157e-12 -number of iterations: 2721 -maxz = 2.515833e-04 -S-sub-bulk = 5.392961e-03 -S-sub-base = 7.640489e-04 -S-nh4-bulk = 1.457532e-02 -S-nh4-base = 1.251900e-02 - - 114058 0.48174286 6167 0.00024253357 0 4819 1348 3.0494722e-11 2.4076809e-11 6.4179126e-12 -Loop time of 0.481759 on 4 procs for 1 steps with 6167 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 114058 0 6167 0.00024253357 0 4819 1348 3.0494722e-11 2.4076809e-11 6.4179126e-12 - 114114 0.077025175 6167 0.00024397957 0 4819 1348 3.0494722e-11 2.4076809e-11 6.4179126e-12 - 115115 1.1369951 6167 0.00024610717 0 4819 1348 3.0494722e-11 2.4076809e-11 6.4179126e-12 - 116058 1.9991341 6167 0.0002468118 0 4819 1348 3.0494722e-11 2.4076809e-11 6.4179126e-12 -Loop time of 1.99916 on 4 procs for 2000 steps with 6167 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 116058 0 6167 0.0002468118 0 4819 1348 3.0494722e-11 2.4076809e-11 6.4179126e-12 -number of iterations: 5000 -maxz = 2.589367e-04 -S-sub-bulk = 5.473618e-03 -S-sub-base = 7.413496e-04 -S-nh4-bulk = 1.457179e-02 -S-nh4-base = 1.245915e-02 - - 116059 0.92467594 6296 0.00024704056 0 4921 1375 3.1100953e-11 2.4547037e-11 6.553916e-12 -Loop time of 0.924689 on 4 procs for 1 steps with 6296 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 116059 0 6296 0.00024704056 0 4921 1375 3.1100953e-11 2.4547037e-11 6.553916e-12 - 116116 0.083376884 6296 0.00024844019 0 4921 1375 3.1100953e-11 2.4547037e-11 6.553916e-12 - 117117 1.1729989 6296 0.00025059214 0 4921 1375 3.1100953e-11 2.4547037e-11 6.553916e-12 - 118059 2.09408 6296 0.00025130778 0 4921 1375 3.1100953e-11 2.4547037e-11 6.553916e-12 -Loop time of 2.0941 on 4 procs for 2000 steps with 6296 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 118059 0 6296 0.00025130778 0 4921 1375 3.1100953e-11 2.4547037e-11 6.553916e-12 -number of iterations: 4615 -maxz = 2.621772e-04 -S-sub-bulk = 5.442876e-03 -S-sub-base = 7.026323e-04 -S-nh4-bulk = 1.453862e-02 -S-nh4-base = 1.240572e-02 - - 118060 0.83896804 6408 0.00025142737 0 5014 1394 3.1714671e-11 2.5023784e-11 6.6908866e-12 -Loop time of 0.838981 on 4 procs for 1 steps with 6408 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 118060 0 6408 0.00025142737 0 5014 1394 3.1714671e-11 2.5023784e-11 6.6908866e-12 - 118118 0.084179163 6408 0.00025298169 0 5014 1394 3.1714671e-11 2.5023784e-11 6.6908866e-12 - 119119 1.186553 6408 0.00025526568 0 5014 1394 3.1714671e-11 2.5023784e-11 6.6908866e-12 - 120060 2.0421691 6408 0.00025582167 0 5014 1394 3.1714671e-11 2.5023784e-11 6.6908866e-12 -Loop time of 2.04219 on 4 procs for 2000 steps with 6408 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 120060 0 6408 0.00025582167 0 5014 1394 3.1714671e-11 2.5023784e-11 6.6908866e-12 -number of iterations: 5000 -maxz = 2.676437e-04 -S-sub-bulk = 5.566624e-03 -S-sub-base = 6.778501e-04 -S-nh4-bulk = 1.458029e-02 -S-nh4-base = 1.235867e-02 - - 120061 0.9652071 6545 0.00025598862 0 5122 1423 3.231169e-11 2.5486142e-11 6.8255484e-12 -Loop time of 0.965233 on 4 procs for 1 steps with 6545 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 120061 0 6545 0.00025598862 0 5122 1423 3.231169e-11 2.5486142e-11 6.8255484e-12 - 120120 0.12217212 6545 0.00025764815 0 5122 1423 3.231169e-11 2.5486142e-11 6.8255484e-12 - 121121 1.3144691 6545 0.00025929367 0 5122 1423 3.231169e-11 2.5486142e-11 6.8255484e-12 - 122061 2.2520211 6545 0.00026016468 0 5122 1423 3.231169e-11 2.5486142e-11 6.8255484e-12 -Loop time of 2.25205 on 4 procs for 2000 steps with 6545 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 122061 0 6545 0.00026016468 0 5122 1423 3.231169e-11 2.5486142e-11 6.8255484e-12 -number of iterations: 4940 -maxz = 2.737834e-04 -S-sub-bulk = 5.517021e-03 -S-sub-base = 6.549856e-04 -S-nh4-bulk = 1.457918e-02 -S-nh4-base = 1.232549e-02 - - 122062 0.94877601 6665 0.00026034151 0 5216 1449 3.2921163e-11 2.5959945e-11 6.9612174e-12 -Loop time of 0.94879 on 4 procs for 1 steps with 6665 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 122062 0 6665 0.00026034151 0 5216 1449 3.2921163e-11 2.5959945e-11 6.9612174e-12 - 122122 0.09249115 6665 0.00026184807 0 5216 1449 3.2921163e-11 2.5959945e-11 6.9612174e-12 - 123123 1.19927 6665 0.0002633701 0 5216 1449 3.2921163e-11 2.5959945e-11 6.9612174e-12 - 124062 2.1547141 6665 0.000264175 0 5216 1449 3.2921163e-11 2.5959945e-11 6.9612174e-12 -Loop time of 2.15474 on 4 procs for 2000 steps with 6665 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 124062 0 6665 0.000264175 0 5216 1449 3.2921163e-11 2.5959945e-11 6.9612174e-12 -number of iterations: 5000 -maxz = 2.763253e-04 -S-sub-bulk = 5.640408e-03 -S-sub-base = 6.450837e-04 -S-nh4-bulk = 1.465456e-02 -S-nh4-base = 1.230713e-02 - - 124063 0.99883604 6777 0.00026420044 0 5311 1466 3.351274e-11 2.6418505e-11 7.094235e-12 -Loop time of 0.998856 on 4 procs for 1 steps with 6777 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 124063 0 6777 0.00026420044 0 5311 1466 3.351274e-11 2.6418505e-11 7.094235e-12 - 124124 0.10745478 6777 0.00026582141 0 5311 1466 3.351274e-11 2.6418505e-11 7.094235e-12 - 125125 1.261941 6777 0.00026761445 0 5311 1466 3.351274e-11 2.6418505e-11 7.094235e-12 - 126063 2.2382128 6777 0.00026809657 0 5311 1466 3.351274e-11 2.6418505e-11 7.094235e-12 -Loop time of 2.23824 on 4 procs for 2000 steps with 6777 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 126063 0 6777 0.00026809657 0 5311 1466 3.351274e-11 2.6418505e-11 7.094235e-12 -number of iterations: 4889 -maxz = 2.823627e-04 -S-sub-bulk = 5.593745e-03 -S-sub-base = 6.306844e-04 -S-nh4-bulk = 1.468772e-02 -S-nh4-base = 1.230099e-02 - - 126064 0.93472004 6896 0.00026822323 0 5412 1484 3.411649e-11 2.6888551e-11 7.2279383e-12 -Loop time of 0.934735 on 4 procs for 1 steps with 6896 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 126064 0 6896 0.00026822323 0 5412 1484 3.411649e-11 2.6888551e-11 7.2279383e-12 - 126126 0.097884893 6896 0.00027002228 0 5412 1484 3.411649e-11 2.6888551e-11 7.2279383e-12 - 127127 1.2905939 6896 0.0002718937 0 5412 1484 3.411649e-11 2.6888551e-11 7.2279383e-12 - 128064 2.270004 6896 0.00027223332 0 5412 1484 3.411649e-11 2.6888551e-11 7.2279383e-12 -Loop time of 2.27003 on 4 procs for 2000 steps with 6896 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 128064 0 6896 0.00027223332 0 5412 1484 3.411649e-11 2.6888551e-11 7.2279383e-12 -number of iterations: 5000 -maxz = 2.839985e-04 -S-sub-bulk = 5.710009e-03 -S-sub-base = 6.265542e-04 -S-nh4-bulk = 1.479382e-02 -S-nh4-base = 1.231057e-02 - - 128065 0.99506807 7027 0.00027245532 0 5517 1510 3.4703437e-11 2.7344633e-11 7.3588039e-12 -Loop time of 0.995082 on 4 procs for 1 steps with 7027 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 128065 0 7027 0.00027245532 0 5517 1510 3.4703437e-11 2.7344633e-11 7.3588039e-12 - 128128 0.10230017 7027 0.00027422504 0 5517 1510 3.4703437e-11 2.7344633e-11 7.3588039e-12 - 129129 1.3371141 7027 0.00027610458 0 5517 1510 3.4703437e-11 2.7344633e-11 7.3588039e-12 - 130065 2.3454292 7027 0.00027656198 0 5517 1510 3.4703437e-11 2.7344633e-11 7.3588039e-12 -Loop time of 2.34545 on 4 procs for 2000 steps with 7027 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 130065 0 7027 0.00027656198 0 5517 1510 3.4703437e-11 2.7344633e-11 7.3588039e-12 -number of iterations: 4791 -maxz = 2.868738e-04 -S-sub-bulk = 5.653301e-03 -S-sub-base = 6.184973e-04 -S-nh4-bulk = 1.484877e-02 -S-nh4-base = 1.233037e-02 - - 130066 0.95030713 7149 0.00027675079 0 5610 1539 3.5303064e-11 2.7812681e-11 7.4903834e-12 -Loop time of 0.950322 on 4 procs for 1 steps with 7149 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 130066 0 7149 0.00027675079 0 5610 1539 3.5303064e-11 2.7812681e-11 7.4903834e-12 - 130130 0.10655093 7149 0.00027842753 0 5610 1539 3.5303064e-11 2.7812681e-11 7.4903834e-12 - 131131 1.33375 7149 0.00027976423 0 5610 1539 3.5303064e-11 2.7812681e-11 7.4903834e-12 - 132066 2.385447 7149 0.0002805095 0 5610 1539 3.5303064e-11 2.7812681e-11 7.4903834e-12 -Loop time of 2.38548 on 4 procs for 2000 steps with 7149 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 132066 0 7149 0.0002805095 0 5610 1539 3.5303064e-11 2.7812681e-11 7.4903834e-12 -number of iterations: 3056 -maxz = 2.915605e-04 -S-sub-bulk = 5.436067e-03 -S-sub-base = 6.146013e-04 -S-nh4-bulk = 1.481430e-02 -S-nh4-base = 1.235060e-02 - - 132067 0.61311913 7276 0.00028059676 0 5722 1554 3.5919324e-11 2.829489e-11 7.6244339e-12 -Loop time of 0.613133 on 4 procs for 1 steps with 7276 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 132067 0 7276 0.00028059676 0 5722 1554 3.5919324e-11 2.829489e-11 7.6244339e-12 - 132132 0.10655189 7276 0.00028230542 0 5722 1554 3.5919324e-11 2.829489e-11 7.6244339e-12 - 133133 1.38379 7276 0.00028452787 0 5722 1554 3.5919324e-11 2.829489e-11 7.6244339e-12 - 134067 2.3988869 7276 0.00028500907 0 5722 1554 3.5919324e-11 2.829489e-11 7.6244339e-12 -Loop time of 2.39891 on 4 procs for 2000 steps with 7276 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 134067 0 7276 0.00028500907 0 5722 1554 3.5919324e-11 2.829489e-11 7.6244339e-12 -number of iterations: 5000 -maxz = 2.944555e-04 -S-sub-bulk = 5.522416e-03 -S-sub-base = 6.124330e-04 -S-nh4-bulk = 1.487084e-02 -S-nh4-base = 1.238769e-02 - - 134068 1.0609641 7390 0.0002853293 0 5820 1570 3.6509902e-11 2.8754258e-11 7.7556438e-12 -Loop time of 1.06098 on 4 procs for 1 steps with 7390 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 134068 0 7390 0.0002853293 0 5820 1570 3.6509902e-11 2.8754258e-11 7.7556438e-12 - 134134 0.1131711 7390 0.00028677515 0 5820 1570 3.6509902e-11 2.8754258e-11 7.7556438e-12 - 135135 1.4317241 7390 0.00028837789 0 5820 1570 3.6509902e-11 2.8754258e-11 7.7556438e-12 - 136068 2.557044 7390 0.00028904598 0 5820 1570 3.6509902e-11 2.8754258e-11 7.7556438e-12 -Loop time of 2.55707 on 4 procs for 2000 steps with 7390 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 136068 0 7390 0.00028904598 0 5820 1570 3.6509902e-11 2.8754258e-11 7.7556438e-12 -number of iterations: 4393 -maxz = 2.975552e-04 -S-sub-bulk = 5.490900e-03 -S-sub-base = 6.001620e-04 -S-nh4-bulk = 1.487902e-02 -S-nh4-base = 1.241224e-02 - - 136069 0.94807506 7504 0.00028924923 0 5906 1598 3.7109033e-11 2.9221113e-11 7.8879194e-12 -Loop time of 0.948089 on 4 procs for 1 steps with 7504 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 136069 0 7504 0.00028924923 0 5906 1598 3.7109033e-11 2.9221113e-11 7.8879194e-12 - 136136 0.11995101 7504 0.00029080543 0 5906 1598 3.7109033e-11 2.9221113e-11 7.8879194e-12 - 137137 1.401921 7504 0.0002921862 0 5906 1598 3.7109033e-11 2.9221113e-11 7.8879194e-12 - 138069 2.4211321 7504 0.00029262966 0 5906 1598 3.7109033e-11 2.9221113e-11 7.8879194e-12 -Loop time of 2.42116 on 4 procs for 2000 steps with 7504 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 138069 0 7504 0.00029262966 0 5906 1598 3.7109033e-11 2.9221113e-11 7.8879194e-12 -number of iterations: 2937 -maxz = 3.008207e-04 -S-sub-bulk = 5.309032e-03 -S-sub-base = 5.909706e-04 -S-nh4-bulk = 1.481671e-02 -S-nh4-base = 1.242865e-02 - - 138070 0.60906315 7634 0.00029306054 0 6010 1624 3.7723067e-11 2.9700623e-11 8.0224449e-12 -Loop time of 0.609077 on 4 procs for 1 steps with 7634 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 138070 0 7634 0.00029306054 0 6010 1624 3.7723067e-11 2.9700623e-11 8.0224449e-12 - 138138 0.12005305 7634 0.0002946099 0 6010 1624 3.7723067e-11 2.9700623e-11 8.0224449e-12 - 139139 1.447191 7634 0.00029652956 0 6010 1624 3.7723067e-11 2.9700623e-11 8.0224449e-12 - 140070 2.5244892 7634 0.00029743482 0 6010 1624 3.7723067e-11 2.9700623e-11 8.0224449e-12 -Loop time of 2.52452 on 4 procs for 2000 steps with 7634 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 140070 0 7634 0.00029743482 0 6010 1624 3.7723067e-11 2.9700623e-11 8.0224449e-12 -number of iterations: 5000 -maxz = 3.055824e-04 -S-sub-bulk = 5.409911e-03 -S-sub-base = 5.833586e-04 -S-nh4-bulk = 1.484678e-02 -S-nh4-base = 1.245236e-02 - - 140071 1.06528 7754 0.00029752212 0 6107 1647 3.8312793e-11 3.0158459e-11 8.1543336e-12 -Loop time of 1.06529 on 4 procs for 1 steps with 7754 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 140071 0 7754 0.00029752212 0 6107 1647 3.8312793e-11 3.0158459e-11 8.1543336e-12 - 140140 0.12551999 7754 0.00029901744 0 6107 1647 3.8312793e-11 3.0158459e-11 8.1543336e-12 - 141141 1.4243648 7754 0.0003004721 0 6107 1647 3.8312793e-11 3.0158459e-11 8.1543336e-12 - 142071 2.5451999 7754 0.00030088936 0 6107 1647 3.8312793e-11 3.0158459e-11 8.1543336e-12 -Loop time of 2.54523 on 4 procs for 2000 steps with 7754 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 142071 0 7754 0.00030088936 0 6107 1647 3.8312793e-11 3.0158459e-11 8.1543336e-12 -number of iterations: 4496 -maxz = 3.083654e-04 -S-sub-bulk = 5.387106e-03 -S-sub-base = 5.727779e-04 -S-nh4-bulk = 1.484032e-02 -S-nh4-base = 1.246264e-02 - - 142072 0.95536208 7890 0.00030102219 0 6205 1685 3.8911203e-11 3.0624079e-11 8.287124e-12 -Loop time of 0.955377 on 4 procs for 1 steps with 7890 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 142072 0 7890 0.00030102219 0 6205 1685 3.8911203e-11 3.0624079e-11 8.287124e-12 - 142142 0.12889504 7890 0.0003028642 0 6205 1685 3.8911203e-11 3.0624079e-11 8.287124e-12 - 143143 1.444417 7890 0.00030487874 0 6205 1685 3.8911203e-11 3.0624079e-11 8.287124e-12 - 144072 2.5686581 7890 0.00030521645 0 6205 1685 3.8911203e-11 3.0624079e-11 8.287124e-12 -Loop time of 2.56868 on 4 procs for 2000 steps with 7890 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 144072 0 7890 0.00030521645 0 6205 1685 3.8911203e-11 3.0624079e-11 8.287124e-12 -number of iterations: 3234 -maxz = 3.120394e-04 -S-sub-bulk = 5.191673e-03 -S-sub-base = 5.645715e-04 -S-nh4-bulk = 1.476418e-02 -S-nh4-base = 1.246847e-02 - - 144073 0.69334412 7989 0.00030537702 0 6285 1704 3.9526506e-11 3.1104237e-11 8.4222686e-12 -Loop time of 0.693358 on 4 procs for 1 steps with 7989 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 144073 0 7989 0.00030537702 0 6285 1704 3.9526506e-11 3.1104237e-11 8.4222686e-12 - 144144 0.13183808 7989 0.00030688594 0 6285 1704 3.9526506e-11 3.1104237e-11 8.4222686e-12 - 145145 1.4439192 7989 0.00030879208 0 6285 1704 3.9526506e-11 3.1104237e-11 8.4222686e-12 - 146073 2.5735571 7989 0.0003091076 0 6285 1704 3.9526506e-11 3.1104237e-11 8.4222686e-12 -Loop time of 2.57358 on 4 procs for 2000 steps with 7989 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 146073 0 7989 0.0003091076 0 6285 1704 3.9526506e-11 3.1104237e-11 8.4222686e-12 -number of iterations: 5000 -maxz = 3.159088e-04 -S-sub-bulk = 5.341062e-03 -S-sub-base = 5.596312e-04 -S-nh4-bulk = 1.480232e-02 -S-nh4-base = 1.247309e-02 - - 146074 1.0957429 8119 0.00030921288 0 6392 1727 4.0111741e-11 3.1557584e-11 8.5541572e-12 -Loop time of 1.09576 on 4 procs for 1 steps with 8119 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 146074 0 8119 0.00030921288 0 6392 1727 4.0111741e-11 3.1557584e-11 8.5541572e-12 - 146146 0.13676596 8119 0.00031091729 0 6392 1727 4.0111741e-11 3.1557584e-11 8.5541572e-12 - 147147 1.5628128 8119 0.0003130184 0 6392 1727 4.0111741e-11 3.1557584e-11 8.5541572e-12 - 148074 2.6995668 8119 0.00031345007 0 6392 1727 4.0111741e-11 3.1557584e-11 8.5541572e-12 -Loop time of 2.69959 on 4 procs for 2000 steps with 8119 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 148074 0 8119 0.00031345007 0 6392 1727 4.0111741e-11 3.1557584e-11 8.5541572e-12 -number of iterations: 4181 -maxz = 3.231302e-04 -S-sub-bulk = 5.295957e-03 -S-sub-base = 5.525835e-04 -S-nh4-bulk = 1.479305e-02 -S-nh4-base = 1.246836e-02 - - 148075 0.93172288 8241 0.00031366537 0 6485 1756 4.0711355e-11 3.2024112e-11 8.6872433e-12 -Loop time of 0.931738 on 4 procs for 1 steps with 8241 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 148075 0 8241 0.00031366537 0 6485 1756 4.0711355e-11 3.2024112e-11 8.6872433e-12 - 148148 0.13912702 8241 0.00031546916 0 6485 1756 4.0711355e-11 3.2024112e-11 8.6872433e-12 - 149149 1.6922579 8241 0.00031776417 0 6485 1756 4.0711355e-11 3.2024112e-11 8.6872433e-12 - 150075 2.966393 8241 0.00031861637 0 6485 1756 4.0711355e-11 3.2024112e-11 8.6872433e-12 -Loop time of 2.96642 on 4 procs for 2000 steps with 8241 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 150075 0 8241 0.00031861637 0 6485 1756 4.0711355e-11 3.2024112e-11 8.6872433e-12 -number of iterations: 5000 -maxz = 3.286586e-04 -S-sub-bulk = 5.426581e-03 -S-sub-base = 5.464229e-04 -S-nh4-bulk = 1.487491e-02 -S-nh4-base = 1.246534e-02 - - 150076 1.622565 8369 0.00031906304 0 6574 1795 4.1293245e-11 3.2475988e-11 8.8172573e-12 -Loop time of 1.62258 on 4 procs for 1 steps with 8369 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 150076 0 8369 0.00031906304 0 6574 1795 4.1293245e-11 3.2475988e-11 8.8172573e-12 - 150150 0.198632 8369 0.00032053582 0 6574 1795 4.1293245e-11 3.2475988e-11 8.8172573e-12 - 151151 1.870028 8369 0.00032187512 0 6574 1795 4.1293245e-11 3.2475988e-11 8.8172573e-12 - 152076 3.2555962 8369 0.00032243492 0 6574 1795 4.1293245e-11 3.2475988e-11 8.8172573e-12 -Loop time of 3.25562 on 4 procs for 2000 steps with 8369 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 152076 0 8369 0.00032243492 0 6574 1795 4.1293245e-11 3.2475988e-11 8.8172573e-12 -number of iterations: 4634 -maxz = 3.317512e-04 -S-sub-bulk = 5.361914e-03 -S-sub-base = 5.446086e-04 -S-nh4-bulk = 1.490656e-02 -S-nh4-base = 1.246564e-02 - - 152077 1.1387248 8501 0.00032281473 0 6668 1833 4.1889919e-11 3.2941747e-11 8.9481714e-12 -Loop time of 1.13874 on 4 procs for 1 steps with 8501 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 152077 0 8501 0.00032281473 0 6668 1833 4.1889919e-11 3.2941747e-11 8.9481714e-12 - 152152 0.15498996 8501 0.00032443815 0 6668 1833 4.1889919e-11 3.2941747e-11 8.9481714e-12 - 153153 1.7012191 8501 0.00032645845 0 6668 1833 4.1889919e-11 3.2941747e-11 8.9481714e-12 - 154077 2.958777 8501 0.00032744022 0 6668 1833 4.1889919e-11 3.2941747e-11 8.9481714e-12 -Loop time of 2.9588 on 4 procs for 2000 steps with 8501 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 154077 0 8501 0.00032744022 0 6668 1833 4.1889919e-11 3.2941747e-11 8.9481714e-12 -number of iterations: 5000 -maxz = 3.370556e-04 -S-sub-bulk = 5.473531e-03 -S-sub-base = 5.452697e-04 -S-nh4-bulk = 1.501814e-02 -S-nh4-base = 1.247640e-02 - - 154078 1.1837461 8634 0.00032762184 0 6760 1874 4.246934e-11 3.3393314e-11 9.0760262e-12 -Loop time of 1.18376 on 4 procs for 1 steps with 8634 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 154078 0 8634 0.00032762184 0 6760 1874 4.246934e-11 3.3393314e-11 9.0760262e-12 - 154154 0.15285492 8634 0.00032920214 0 6760 1874 4.246934e-11 3.3393314e-11 9.0760262e-12 - 155155 1.687571 8634 0.00033016423 0 6760 1874 4.246934e-11 3.3393314e-11 9.0760262e-12 - 156078 2.89939 8634 0.00033066175 0 6760 1874 4.246934e-11 3.3393314e-11 9.0760262e-12 -Loop time of 2.89942 on 4 procs for 2000 steps with 8634 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 156078 0 8634 0.00033066175 0 6760 1874 4.246934e-11 3.3393314e-11 9.0760262e-12 -number of iterations: 4679 -maxz = 3.403996e-04 -S-sub-bulk = 5.423847e-03 -S-sub-base = 5.480738e-04 -S-nh4-bulk = 1.507947e-02 -S-nh4-base = 1.249355e-02 - - 156079 1.1128671 8767 0.00033087067 0 6856 1911 4.3060636e-11 3.3856119e-11 9.2045164e-12 -Loop time of 1.11288 on 4 procs for 1 steps with 8767 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 156079 0 8767 0.00033087067 0 6856 1911 4.3060636e-11 3.3856119e-11 9.2045164e-12 - 156156 0.15963197 8767 0.00033245961 0 6856 1911 4.3060636e-11 3.3856119e-11 9.2045164e-12 - 157157 1.7198851 8767 0.00033424201 0 6856 1911 4.3060636e-11 3.3856119e-11 9.2045164e-12 - 158079 2.9385681 8767 0.00033482107 0 6856 1911 4.3060636e-11 3.3856119e-11 9.2045164e-12 -Loop time of 2.9386 on 4 procs for 2000 steps with 8767 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 158079 0 8767 0.00033482107 0 6856 1911 4.3060636e-11 3.3856119e-11 9.2045164e-12 -number of iterations: 5000 -maxz = 3.437744e-04 -S-sub-bulk = 5.546899e-03 -S-sub-base = 5.501171e-04 -S-nh4-bulk = 1.520965e-02 -S-nh4-base = 1.252379e-02 - - 158080 1.2043321 8882 0.00033505587 0 6948 1934 4.363463e-11 3.4304573e-11 9.3300571e-12 -Loop time of 1.20435 on 4 procs for 1 steps with 8882 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 158080 0 8882 0.00033505587 0 6948 1934 4.363463e-11 3.4304573e-11 9.3300571e-12 - 158158 0.1613121 8882 0.00033670519 0 6948 1934 4.363463e-11 3.4304573e-11 9.3300571e-12 - 159159 1.7212391 8882 0.00033859661 0 6948 1934 4.363463e-11 3.4304573e-11 9.3300571e-12 - 160080 2.970031 8882 0.00033913988 0 6948 1934 4.363463e-11 3.4304573e-11 9.3300571e-12 -Loop time of 2.97005 on 4 procs for 2000 steps with 8882 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 160080 0 8882 0.00033913988 0 6948 1934 4.363463e-11 3.4304573e-11 9.3300571e-12 -number of iterations: 4628 -maxz = 3.473856e-04 -S-sub-bulk = 5.478731e-03 -S-sub-base = 5.536292e-04 -S-nh4-bulk = 1.528140e-02 -S-nh4-base = 1.255928e-02 - - 160081 1.1209698 9017 0.00033933821 0 7058 1959 4.4223089e-11 3.4766744e-11 9.4563449e-12 -Loop time of 1.12098 on 4 procs for 1 steps with 9017 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 160081 0 9017 0.00033933821 0 7058 1959 4.4223089e-11 3.4766744e-11 9.4563449e-12 - 160160 0.17023182 9017 0.00034109586 0 7058 1959 4.4223089e-11 3.4766744e-11 9.4563449e-12 - 161161 1.7465189 9017 0.00034319765 0 7058 1959 4.4223089e-11 3.4766744e-11 9.4563449e-12 - 162081 3.04282 9017 0.00034361715 0 7058 1959 4.4223089e-11 3.4766744e-11 9.4563449e-12 -Loop time of 3.04285 on 4 procs for 2000 steps with 9017 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 162081 0 9017 0.00034361715 0 7058 1959 4.4223089e-11 3.4766744e-11 9.4563449e-12 -number of iterations: 3241 -maxz = 3.547564e-04 -S-sub-bulk = 5.230393e-03 -S-sub-base = 5.540244e-04 -S-nh4-bulk = 1.527043e-02 -S-nh4-base = 1.258955e-02 - - 162082 0.80192113 9130 0.00034366882 0 7146 1984 4.483005e-11 3.5245322e-11 9.5847283e-12 -Loop time of 0.801936 on 4 procs for 1 steps with 9130 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 162082 0 9130 0.00034366882 0 7146 1984 4.483005e-11 3.5245322e-11 9.5847283e-12 - 162162 0.17219305 9130 0.00034533326 0 7146 1984 4.483005e-11 3.5245322e-11 9.5847283e-12 - 163163 1.8565202 9130 0.00034715884 0 7146 1984 4.483005e-11 3.5245322e-11 9.5847283e-12 - 164082 3.207818 9130 0.00034795738 0 7146 1984 4.483005e-11 3.5245322e-11 9.5847283e-12 -Loop time of 3.20784 on 4 procs for 2000 steps with 9130 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 164082 0 9130 0.00034795738 0 7146 1984 4.483005e-11 3.5245322e-11 9.5847283e-12 -number of iterations: 5000 -maxz = 3.567822e-04 -S-sub-bulk = 5.346696e-03 -S-sub-base = 5.573100e-04 -S-nh4-bulk = 1.535096e-02 -S-nh4-base = 1.264281e-02 - - 164083 1.3006461 9242 0.00034803472 0 7239 2003 4.5406282e-11 3.5696235e-11 9.7100468e-12 -Loop time of 1.30066 on 4 procs for 1 steps with 9242 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 164083 0 9242 0.00034803472 0 7239 2003 4.5406282e-11 3.5696235e-11 9.7100468e-12 - 164164 0.19256186 9242 0.00034975867 0 7239 2003 4.5406282e-11 3.5696235e-11 9.7100468e-12 - 165165 1.943166 9242 0.0003516269 0 7239 2003 4.5406282e-11 3.5696235e-11 9.7100468e-12 - 166083 3.6618869 9242 0.00035207868 0 7239 2003 4.5406282e-11 3.5696235e-11 9.7100468e-12 -Loop time of 3.66192 on 4 procs for 2000 steps with 9242 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 166083 0 9242 0.00035207868 0 7239 2003 4.5406282e-11 3.5696235e-11 9.7100468e-12 -number of iterations: 4268 -maxz = 3.596706e-04 -S-sub-bulk = 5.313793e-03 -S-sub-base = 5.575057e-04 -S-nh4-bulk = 1.538167e-02 -S-nh4-base = 1.268574e-02 - - 166084 1.253289 9371 0.00035218251 0 7340 2031 4.5993108e-11 3.615684e-11 9.8362673e-12 -Loop time of 1.2533 on 4 procs for 1 steps with 9371 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 166084 0 9371 0.00035218251 0 7340 2031 4.5993108e-11 3.615684e-11 9.8362673e-12 - 166166 0.20019102 9371 0.00035412552 0 7340 2031 4.5993108e-11 3.615684e-11 9.8362673e-12 - 167167 2.122638 9371 0.00035555266 0 7340 2031 4.5993108e-11 3.615684e-11 9.8362673e-12 - 168084 3.5382519 9371 0.00035636424 0 7340 2031 4.5993108e-11 3.615684e-11 9.8362673e-12 -Loop time of 3.53828 on 4 procs for 2000 steps with 9371 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 168084 0 9371 0.00035636424 0 7340 2031 4.5993108e-11 3.615684e-11 9.8362673e-12 -number of iterations: 2855 -maxz = 3.668356e-04 -S-sub-bulk = 5.099329e-03 -S-sub-base = 5.537721e-04 -S-nh4-bulk = 1.533870e-02 -S-nh4-base = 1.271361e-02 - - 168085 0.74790382 9491 0.00035658209 0 7440 2051 4.6597661e-11 3.6633014e-11 9.9646468e-12 -Loop time of 0.747919 on 4 procs for 1 steps with 9491 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 168085 0 9491 0.00035658209 0 7440 2051 4.6597661e-11 3.6633014e-11 9.9646468e-12 - 168168 0.18635607 9491 0.00035822285 0 7440 2051 4.6597661e-11 3.6633014e-11 9.9646468e-12 - 169169 1.8575699 9491 0.00035980053 0 7440 2051 4.6597661e-11 3.6633014e-11 9.9646468e-12 - 170085 3.1631389 9491 0.00036022493 0 7440 2051 4.6597661e-11 3.6633014e-11 9.9646468e-12 -Loop time of 3.16317 on 4 procs for 2000 steps with 9491 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 170085 0 9491 0.00036022493 0 7440 2051 4.6597661e-11 3.6633014e-11 9.9646468e-12 -number of iterations: 5000 -maxz = 3.683950e-04 -S-sub-bulk = 5.245920e-03 -S-sub-base = 5.492000e-04 -S-nh4-bulk = 1.539892e-02 -S-nh4-base = 1.276186e-02 - - 170086 1.2641261 9619 0.00036039672 0 7545 2074 4.7170826e-11 3.7080974e-11 1.0089852e-11 -Loop time of 1.26414 on 4 procs for 1 steps with 9619 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 170086 0 9619 0.00036039672 0 7545 2074 4.7170826e-11 3.7080974e-11 1.0089852e-11 - 170170 0.1952908 9619 0.00036218515 0 7545 2074 4.7170826e-11 3.7080974e-11 1.0089852e-11 - 171171 1.8990128 9619 0.00036355736 0 7545 2074 4.7170826e-11 3.7080974e-11 1.0089852e-11 - 172086 3.3234198 9619 0.00036383203 0 7545 2074 4.7170826e-11 3.7080974e-11 1.0089852e-11 -Loop time of 3.32344 on 4 procs for 2000 steps with 9619 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 172086 0 9619 0.00036383203 0 7545 2074 4.7170826e-11 3.7080974e-11 1.0089852e-11 -number of iterations: 4267 -maxz = 3.726413e-04 -S-sub-bulk = 5.219835e-03 -S-sub-base = 5.456330e-04 -S-nh4-bulk = 1.541811e-02 -S-nh4-base = 1.279678e-02 - - 172087 1.096493 9734 0.00036400857 0 7635 2099 4.7755943e-11 3.7540098e-11 1.0215845e-11 -Loop time of 1.09651 on 4 procs for 1 steps with 9734 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 172087 0 9734 0.00036400857 0 7635 2099 4.7755943e-11 3.7540098e-11 1.0215845e-11 - 172172 0.19932103 9734 0.00036576013 0 7635 2099 4.7755943e-11 3.7540098e-11 1.0215845e-11 - 173173 1.956336 9734 0.00036745329 0 7635 2099 4.7755943e-11 3.7540098e-11 1.0215845e-11 - 174087 3.3750219 9734 0.0003682025 0 7635 2099 4.7755943e-11 3.7540098e-11 1.0215845e-11 -Loop time of 3.37505 on 4 procs for 2000 steps with 9734 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 174087 0 9734 0.0003682025 0 7635 2099 4.7755943e-11 3.7540098e-11 1.0215845e-11 -number of iterations: 5000 -maxz = 3.749185e-04 -S-sub-bulk = 5.374351e-03 -S-sub-base = 5.385705e-04 -S-nh4-bulk = 1.552441e-02 -S-nh4-base = 1.283431e-02 - - 174088 1.3477879 9867 0.00036835333 0 7742 2125 4.8321949e-11 3.79833e-11 1.0338649e-11 -Loop time of 1.3478 on 4 procs for 1 steps with 9867 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 174088 0 9867 0.00036835333 0 7742 2125 4.8321949e-11 3.79833e-11 1.0338649e-11 - 174174 0.21934509 9867 0.0003700712 0 7742 2125 4.8321949e-11 3.79833e-11 1.0338649e-11 - 175175 2.0057189 9867 0.0003719379 0 7742 2125 4.8321949e-11 3.79833e-11 1.0338649e-11 - 176088 3.3674631 9867 0.00037215025 0 7742 2125 4.8321949e-11 3.79833e-11 1.0338649e-11 -Loop time of 3.36749 on 4 procs for 2000 steps with 9867 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 176088 0 9867 0.00037215025 0 7742 2125 4.8321949e-11 3.79833e-11 1.0338649e-11 -number of iterations: 4545 -maxz = 3.784652e-04 -S-sub-bulk = 5.318290e-03 -S-sub-base = 5.355494e-04 -S-nh4-bulk = 1.558403e-02 -S-nh4-base = 1.286785e-02 - - 176089 1.1900191 9969 0.0003723354 0 7823 2146 4.890311e-11 3.8441092e-11 1.0462018e-11 -Loop time of 1.19003 on 4 procs for 1 steps with 9969 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 176089 0 9969 0.0003723354 0 7823 2146 4.890311e-11 3.8441092e-11 1.0462018e-11 - 176176 0.20905185 9969 0.00037424749 0 7823 2146 4.890311e-11 3.8441092e-11 1.0462018e-11 - 177177 2.0110569 9969 0.00037539589 0 7823 2146 4.890311e-11 3.8441092e-11 1.0462018e-11 - 178089 3.4757979 9969 0.00037599597 0 7823 2146 4.890311e-11 3.8441092e-11 1.0462018e-11 -Loop time of 3.47583 on 4 procs for 2000 steps with 9969 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 178089 0 9969 0.00037599597 0 7823 2146 4.890311e-11 3.8441092e-11 1.0462018e-11 -number of iterations: 2975 -maxz = 3.829359e-04 -S-sub-bulk = 5.085558e-03 -S-sub-base = 5.329473e-04 -S-nh4-bulk = 1.556834e-02 -S-nh4-base = 1.289122e-02 - - 178090 0.81504679 10098 0.00037618835 0 7924 2174 4.9501953e-11 3.8914611e-11 1.0587343e-11 -Loop time of 0.815062 on 4 procs for 1 steps with 10098 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 178090 0 10098 0.00037618835 0 7924 2174 4.9501953e-11 3.8914611e-11 1.0587343e-11 - 178178 0.21761417 10098 0.00037828378 0 7924 2174 4.9501953e-11 3.8914611e-11 1.0587343e-11 - 179179 2.1017911 10098 0.00037977445 0 7924 2174 4.9501953e-11 3.8914611e-11 1.0587343e-11 - 180090 3.6703801 10098 0.00038064644 0 7924 2174 4.9501953e-11 3.8914611e-11 1.0587343e-11 -Loop time of 3.67041 on 4 procs for 2000 steps with 10098 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 180090 0 10098 0.00038064644 0 7924 2174 4.9501953e-11 3.8914611e-11 1.0587343e-11 -number of iterations: 5000 -maxz = 3.883260e-04 -S-sub-bulk = 5.190839e-03 -S-sub-base = 5.312002e-04 -S-nh4-bulk = 1.564436e-02 -S-nh4-base = 1.293474e-02 - - 180091 1.3590469 10212 0.00038089696 0 8023 2189 5.0071905e-11 3.9362266e-11 1.0709638e-11 -Loop time of 1.35906 on 4 procs for 1 steps with 10212 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 180091 0 10212 0.00038089696 0 8023 2189 5.0071905e-11 3.9362266e-11 1.0709638e-11 - 180180 0.21855903 10212 0.00038273889 0 8023 2189 5.0071905e-11 3.9362266e-11 1.0709638e-11 - 181181 2.1220429 10212 0.00038489561 0 8023 2189 5.0071905e-11 3.9362266e-11 1.0709638e-11 - 182091 3.667937 10212 0.00038579038 0 8023 2189 5.0071905e-11 3.9362266e-11 1.0709638e-11 -Loop time of 3.66797 on 4 procs for 2000 steps with 10212 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 182091 0 10212 0.00038579038 0 8023 2189 5.0071905e-11 3.9362266e-11 1.0709638e-11 -number of iterations: 4040 -maxz = 3.936507e-04 -S-sub-bulk = 5.109564e-03 -S-sub-base = 5.305201e-04 -S-nh4-bulk = 1.566544e-02 -S-nh4-base = 1.296948e-02 - - 182092 1.125705 10337 0.00038606036 0 8124 2213 5.0656227e-11 3.9823175e-11 1.0833052e-11 -Loop time of 1.12572 on 4 procs for 1 steps with 10337 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 182092 0 10337 0.00038606036 0 8124 2213 5.0656227e-11 3.9823175e-11 1.0833052e-11 - 182182 0.22967505 10337 0.00038785905 0 8124 2213 5.0656227e-11 3.9823175e-11 1.0833052e-11 - 183183 2.1240401 10337 0.00038946414 0 8124 2213 5.0656227e-11 3.9823175e-11 1.0833052e-11 - 184092 3.626826 10337 0.00039014548 0 8124 2213 5.0656227e-11 3.9823175e-11 1.0833052e-11 -Loop time of 3.62685 on 4 procs for 2000 steps with 10337 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 184092 0 10337 0.00039014548 0 8124 2213 5.0656227e-11 3.9823175e-11 1.0833052e-11 -number of iterations: 5000 -maxz = 3.971912e-04 -S-sub-bulk = 5.268047e-03 -S-sub-base = 5.254164e-04 -S-nh4-bulk = 1.577093e-02 -S-nh4-base = 1.301142e-02 - - 184093 1.3793209 10453 0.00039041097 0 8222 2231 5.1217069e-11 4.0263716e-11 1.0953353e-11 -Loop time of 1.37934 on 4 procs for 1 steps with 10453 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 184093 0 10453 0.00039041097 0 8222 2231 5.1217069e-11 4.0263716e-11 1.0953353e-11 - 184184 0.22897482 10453 0.00039211757 0 8222 2231 5.1217069e-11 4.0263716e-11 1.0953353e-11 - 185185 2.0516279 10453 0.00039324028 0 8222 2231 5.1217069e-11 4.0263716e-11 1.0953353e-11 - 186093 3.4978969 10453 0.0003935032 0 8222 2231 5.1217069e-11 4.0263716e-11 1.0953353e-11 -Loop time of 3.49792 on 4 procs for 2000 steps with 10453 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 186093 0 10453 0.0003935032 0 8222 2231 5.1217069e-11 4.0263716e-11 1.0953353e-11 -number of iterations: 4794 -maxz = 4.005215e-04 -S-sub-bulk = 5.213269e-03 -S-sub-base = 5.213080e-04 -S-nh4-bulk = 1.583245e-02 -S-nh4-base = 1.305183e-02 - - 186094 1.359823 10565 0.00039369397 0 8305 2260 5.1793099e-11 4.0718964e-11 1.1074135e-11 -Loop time of 1.35984 on 4 procs for 1 steps with 10565 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 186094 0 10565 0.00039369397 0 8305 2260 5.1793099e-11 4.0718964e-11 1.1074135e-11 - 186186 0.26513314 10565 0.00039549457 0 8305 2260 5.1793099e-11 4.0718964e-11 1.1074135e-11 - 187187 2.351084 10565 0.00039716114 0 8305 2260 5.1793099e-11 4.0718964e-11 1.1074135e-11 - 188094 4.4323471 10565 0.00039787389 0 8305 2260 5.1793099e-11 4.0718964e-11 1.1074135e-11 -Loop time of 4.43237 on 4 procs for 2000 steps with 10565 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 188094 0 10565 0.00039787389 0 8305 2260 5.1793099e-11 4.0718964e-11 1.1074135e-11 -number of iterations: 5000 -maxz = 4.049381e-04 -S-sub-bulk = 5.353596e-03 -S-sub-base = 5.161364e-04 -S-nh4-bulk = 1.596132e-02 -S-nh4-base = 1.309645e-02 - - 188095 1.5692749 10703 0.00039819542 0 8410 2293 5.2349256e-11 4.1157234e-11 1.1192022e-11 -Loop time of 1.56929 on 4 procs for 1 steps with 10703 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 188095 0 10703 0.00039819542 0 8410 2293 5.2349256e-11 4.1157234e-11 1.1192022e-11 - 188188 0.31646991 10703 0.00039971426 0 8410 2293 5.2349256e-11 4.1157234e-11 1.1192022e-11 - 189189 2.4087899 10703 0.00040167372 0 8410 2293 5.2349256e-11 4.1157234e-11 1.1192022e-11 - 190095 3.9075658 10703 0.00040197769 0 8410 2293 5.2349256e-11 4.1157234e-11 1.1192022e-11 -Loop time of 3.90759 on 4 procs for 2000 steps with 10703 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 190095 0 10703 0.00040197769 0 8410 2293 5.2349256e-11 4.1157234e-11 1.1192022e-11 -number of iterations: 4603 -maxz = 4.085929e-04 -S-sub-bulk = 5.285624e-03 -S-sub-base = 5.137139e-04 -S-nh4-bulk = 1.603465e-02 -S-nh4-base = 1.314097e-02 - - 190096 1.3226199 10844 0.00040217638 0 8523 2321 5.2920649e-11 4.1610077e-11 1.1310572e-11 -Loop time of 1.32264 on 4 procs for 1 steps with 10844 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 190096 0 10844 0.00040217638 0 8523 2321 5.2920649e-11 4.1610077e-11 1.1310572e-11 - 190190 0.25041199 10844 0.00040414377 0 8523 2321 5.2920649e-11 4.1610077e-11 1.1310572e-11 - 191191 2.092809 10844 0.00040492755 0 8523 2321 5.2920649e-11 4.1610077e-11 1.1310572e-11 - 192096 3.5159838 10844 0.0004050933 0 8523 2321 5.2920649e-11 4.1610077e-11 1.1310572e-11 -Loop time of 3.51601 on 4 procs for 2000 steps with 10844 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 192096 0 10844 0.0004050933 0 8523 2321 5.2920649e-11 4.1610077e-11 1.1310572e-11 -number of iterations: 3549 -maxz = 4.133916e-04 -S-sub-bulk = 5.081710e-03 -S-sub-base = 5.109461e-04 -S-nh4-bulk = 1.603991e-02 -S-nh4-base = 1.317796e-02 - - 192097 1.0115349 10958 0.00040521239 0 8610 2348 5.3505893e-11 4.2075181e-11 1.1430712e-11 -Loop time of 1.01155 on 4 procs for 1 steps with 10958 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 192097 0 10958 0.00040521239 0 8610 2348 5.3505893e-11 4.2075181e-11 1.1430712e-11 - 192192 0.2487309 10958 0.00040737012 0 8610 2348 5.3505893e-11 4.2075181e-11 1.1430712e-11 - 193193 2.2525499 10958 0.00040887572 0 8610 2348 5.3505893e-11 4.2075181e-11 1.1430712e-11 - 194097 3.76211 10958 0.00040911608 0 8610 2348 5.3505893e-11 4.2075181e-11 1.1430712e-11 -Loop time of 3.76214 on 4 procs for 2000 steps with 10958 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 194097 0 10958 0.00040911608 0 8610 2348 5.3505893e-11 4.2075181e-11 1.1430712e-11 -number of iterations: 5000 -maxz = 4.163072e-04 -S-sub-bulk = 5.218006e-03 -S-sub-base = 5.079532e-04 -S-nh4-bulk = 1.612520e-02 -S-nh4-base = 1.323482e-02 - - 194098 1.4454982 11080 0.00040925924 0 8707 2373 5.4061231e-11 4.2513199e-11 1.1548032e-11 -Loop time of 1.44551 on 4 procs for 1 steps with 11080 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 194098 0 11080 0.00040925924 0 8707 2373 5.4061231e-11 4.2513199e-11 1.1548032e-11 - 194194 0.25767112 11080 0.00041124343 0 8707 2373 5.4061231e-11 4.2513199e-11 1.1548032e-11 - 195195 2.29052 11080 0.00041238322 0 8707 2373 5.4061231e-11 4.2513199e-11 1.1548032e-11 - 196098 3.885195 11080 0.00041305496 0 8707 2373 5.4061231e-11 4.2513199e-11 1.1548032e-11 -Loop time of 3.88522 on 4 procs for 2000 steps with 11080 atoms - -99.2% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 196098 0 11080 0.00041305496 0 8707 2373 5.4061231e-11 4.2513199e-11 1.1548032e-11 -number of iterations: 4648 -maxz = 4.203206e-04 -S-sub-bulk = 5.195563e-03 -S-sub-base = 5.056944e-04 -S-nh4-bulk = 1.617340e-02 -S-nh4-base = 1.328833e-02 - - 196099 1.3363578 11212 0.00041327504 0 8806 2406 5.4627056e-11 4.2961271e-11 1.1665784e-11 -Loop time of 1.33637 on 4 procs for 1 steps with 11212 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 196099 0 11212 0.00041327504 0 8806 2406 5.4627056e-11 4.2961271e-11 1.1665784e-11 - 196196 0.26583195 11212 0.00041509012 0 8806 2406 5.4627056e-11 4.2961271e-11 1.1665784e-11 - 197197 2.57267 11212 0.00041693472 0 8806 2406 5.4627056e-11 4.2961271e-11 1.1665784e-11 - 198099 5.298656 11212 0.00041749364 0 8806 2406 5.4627056e-11 4.2961271e-11 1.1665784e-11 -Loop time of 5.29869 on 4 procs for 2000 steps with 11212 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 198099 0 11212 0.00041749364 0 8806 2406 5.4627056e-11 4.2961271e-11 1.1665784e-11 -number of iterations: 5000 -maxz = 4.258766e-04 -S-sub-bulk = 5.331356e-03 -S-sub-base = 5.000393e-04 -S-nh4-bulk = 1.628515e-02 -S-nh4-base = 1.334452e-02 - - 198100 1.644165 11319 0.00041753537 0 8884 2435 5.5175747e-11 4.3394856e-11 1.1780891e-11 -Loop time of 1.64418 on 4 procs for 1 steps with 11319 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 198100 0 11319 0.00041753537 0 8884 2435 5.5175747e-11 4.3394856e-11 1.1780891e-11 - 198198 0.30274701 11319 0.00041931227 0 8884 2435 5.5175747e-11 4.3394856e-11 1.1780891e-11 - 199199 2.7442009 11319 0.00042072244 0 8884 2435 5.5175747e-11 4.3394856e-11 1.1780891e-11 - 200100 4.674674 11319 0.00042166857 0 8884 2435 5.5175747e-11 4.3394856e-11 1.1780891e-11 -Loop time of 4.6747 on 4 procs for 2000 steps with 11319 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 200100 0 11319 0.00042166857 0 8884 2435 5.5175747e-11 4.3394856e-11 1.1780891e-11 -number of iterations: 4736 -maxz = 4.293132e-04 -S-sub-bulk = 5.259851e-03 -S-sub-base = 4.955877e-04 -S-nh4-bulk = 1.635388e-02 -S-nh4-base = 1.339789e-02 - - 200101 1.5695968 11420 0.00042183673 0 8962 2458 5.5739439e-11 4.3843047e-11 1.1896392e-11 -Loop time of 1.56961 on 4 procs for 1 steps with 11420 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 200101 0 11420 0.00042183673 0 8962 2458 5.5739439e-11 4.3843047e-11 1.1896392e-11 - 200200 0.28452921 11420 0.00042338369 0 8962 2458 5.5739439e-11 4.3843047e-11 1.1896392e-11 - 201201 2.3745401 11420 0.00042504762 0 8962 2458 5.5739439e-11 4.3843047e-11 1.1896392e-11 - 202101 4.1663761 11420 0.00042595189 0 8962 2458 5.5739439e-11 4.3843047e-11 1.1896392e-11 -Loop time of 4.1664 on 4 procs for 2000 steps with 11420 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 202101 0 11420 0.00042595189 0 8962 2458 5.5739439e-11 4.3843047e-11 1.1896392e-11 -number of iterations: 2914 -maxz = 4.344063e-04 -S-sub-bulk = 5.006726e-03 -S-sub-base = 4.924511e-04 -S-nh4-bulk = 1.634537e-02 -S-nh4-base = 1.343105e-02 - - 202102 0.87639594 11536 0.00042606886 0 9062 2474 5.6321534e-11 4.4307698e-11 1.2013836e-11 -Loop time of 0.876411 on 4 procs for 1 steps with 11536 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 202102 0 11536 0.00042606886 0 9062 2474 5.6321534e-11 4.4307698e-11 1.2013836e-11 - 202202 0.29573107 11536 0.00042766776 0 9062 2474 5.6321534e-11 4.4307698e-11 1.2013836e-11 - 203203 2.4542191 11536 0.00042955324 0 9062 2474 5.6321534e-11 4.4307698e-11 1.2013836e-11 - 204102 4.4111071 11536 0.00043030708 0 9062 2474 5.6321534e-11 4.4307698e-11 1.2013836e-11 -Loop time of 4.41114 on 4 procs for 2000 steps with 11536 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 204102 0 11536 0.00043030708 0 9062 2474 5.6321534e-11 4.4307698e-11 1.2013836e-11 -number of iterations: 5000 -maxz = 4.391450e-04 -S-sub-bulk = 5.132517e-03 -S-sub-base = 4.877626e-04 -S-nh4-bulk = 1.641392e-02 -S-nh4-base = 1.348997e-02 - - 204103 1.99581 11667 0.00043057896 0 9160 2507 5.6871328e-11 4.474264e-11 1.2128688e-11 -Loop time of 1.99583 on 4 procs for 1 steps with 11667 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 204103 0 11667 0.00043057896 0 9160 2507 5.6871328e-11 4.474264e-11 1.2128688e-11 - 204204 0.29460001 11667 0.00043208685 0 9160 2507 5.6871328e-11 4.474264e-11 1.2128688e-11 - 205205 2.6709001 11667 0.0004335256 0 9160 2507 5.6871328e-11 4.474264e-11 1.2128688e-11 - 206103 4.6638691 11667 0.00043398465 0 9160 2507 5.6871328e-11 4.474264e-11 1.2128688e-11 -Loop time of 4.6639 on 4 procs for 2000 steps with 11667 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 206103 0 11667 0.00043398465 0 9160 2507 5.6871328e-11 4.474264e-11 1.2128688e-11 -number of iterations: 4689 -maxz = 4.453472e-04 -S-sub-bulk = 5.101571e-03 -S-sub-base = 4.841477e-04 -S-nh4-bulk = 1.644409e-02 -S-nh4-base = 1.354527e-02 - - 206104 1.4304819 11768 0.00043412 0 9240 2528 5.743178e-11 4.5187614e-11 1.2244166e-11 -Loop time of 1.4305 on 4 procs for 1 steps with 11768 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 206104 0 11768 0.00043412 0 9240 2528 5.743178e-11 4.5187614e-11 1.2244166e-11 - 206206 0.29532099 11768 0.00043602945 0 9240 2528 5.743178e-11 4.5187614e-11 1.2244166e-11 - 207207 2.485425 11768 0.00043772512 0 9240 2528 5.743178e-11 4.5187614e-11 1.2244166e-11 - 208104 4.340009 11768 0.00043855964 0 9240 2528 5.743178e-11 4.5187614e-11 1.2244166e-11 -Loop time of 4.34004 on 4 procs for 2000 steps with 11768 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 208104 0 11768 0.00043855964 0 9240 2528 5.743178e-11 4.5187614e-11 1.2244166e-11 -number of iterations: 5000 -maxz = 4.482293e-04 -S-sub-bulk = 5.256490e-03 -S-sub-base = 4.773839e-04 -S-nh4-bulk = 1.654467e-02 -S-nh4-base = 1.360136e-02 - - 208105 1.6854081 11878 0.00043879758 0 9326 2552 5.7972586e-11 4.5615657e-11 1.2356929e-11 -Loop time of 1.68542 on 4 procs for 1 steps with 11878 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 208105 0 11878 0.00043879758 0 9326 2552 5.7972586e-11 4.5615657e-11 1.2356929e-11 - 208208 0.29836583 11878 0.00044056944 0 9326 2552 5.7972586e-11 4.5615657e-11 1.2356929e-11 - 209209 2.675293 11878 0.00044181938 0 9326 2552 5.7972586e-11 4.5615657e-11 1.2356929e-11 - 210105 4.4074969 11878 0.00044239153 0 9326 2552 5.7972586e-11 4.5615657e-11 1.2356929e-11 -Loop time of 4.40753 on 4 procs for 2000 steps with 11878 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 210105 0 11878 0.00044239153 0 9326 2552 5.7972586e-11 4.5615657e-11 1.2356929e-11 -number of iterations: 5000 -maxz = 4.510297e-04 -S-sub-bulk = 5.196872e-03 -S-sub-base = 4.708287e-04 -S-nh4-bulk = 1.660993e-02 -S-nh4-base = 1.365579e-02 - - 210106 1.766515 11992 0.0004426028 0 9415 2577 5.8528549e-11 4.6058621e-11 1.2469928e-11 -Loop time of 1.76653 on 4 procs for 1 steps with 11992 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 210106 0 11992 0.0004426028 0 9415 2577 5.8528549e-11 4.6058621e-11 1.2469928e-11 - 210210 0.36630511 11992 0.00044437261 0 9415 2577 5.8528549e-11 4.6058621e-11 1.2469928e-11 - 211211 2.5557342 11992 0.00044596365 0 9415 2577 5.8528549e-11 4.6058621e-11 1.2469928e-11 - 212106 4.2621911 11992 0.00044628745 0 9415 2577 5.8528549e-11 4.6058621e-11 1.2469928e-11 -Loop time of 4.26222 on 4 procs for 2000 steps with 11992 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 212106 0 11992 0.00044628745 0 9415 2577 5.8528549e-11 4.6058621e-11 1.2469928e-11 -number of iterations: 5000 -maxz = 4.580357e-04 -S-sub-bulk = 5.322436e-03 -S-sub-base = 4.640991e-04 -S-nh4-bulk = 1.673256e-02 -S-nh4-base = 1.370964e-02 - - 212107 1.6006441 12112 0.00044666283 0 9515 2597 5.9065741e-11 4.6485403e-11 1.2580338e-11 -Loop time of 1.60066 on 4 procs for 1 steps with 12112 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 212107 0 12112 0.00044666283 0 9515 2597 5.9065741e-11 4.6485403e-11 1.2580338e-11 - 212212 0.3123641 12112 0.00044824381 0 9515 2597 5.9065741e-11 4.6485403e-11 1.2580338e-11 - 213213 2.507086 12112 0.00044991728 0 9515 2597 5.9065741e-11 4.6485403e-11 1.2580338e-11 - 214107 4.4029911 12112 0.00045028715 0 9515 2597 5.9065741e-11 4.6485403e-11 1.2580338e-11 -Loop time of 4.40302 on 4 procs for 2000 steps with 12112 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 214107 0 12112 0.00045028715 0 9515 2597 5.9065741e-11 4.6485403e-11 1.2580338e-11 -number of iterations: 5000 -maxz = 4.616229e-04 -S-sub-bulk = 5.275671e-03 -S-sub-base = 4.590633e-04 -S-nh4-bulk = 1.681887e-02 -S-nh4-base = 1.376501e-02 - - 214108 2.0504551 12227 0.00045074403 0 9610 2617 5.9614732e-11 4.6923911e-11 1.2690821e-11 -Loop time of 2.05047 on 4 procs for 1 steps with 12227 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 214108 0 12227 0.00045074403 0 9610 2617 5.9614732e-11 4.6923911e-11 1.2690821e-11 - 214214 0.32729197 12227 0.00045231339 0 9610 2617 5.9614732e-11 4.6923911e-11 1.2690821e-11 - 215215 2.559963 12227 0.0004534875 0 9610 2617 5.9614732e-11 4.6923911e-11 1.2690821e-11 - 216108 4.7134528 12227 0.00045422559 0 9610 2617 5.9614732e-11 4.6923911e-11 1.2690821e-11 -Loop time of 4.71349 on 4 procs for 2000 steps with 12227 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 216108 0 12227 0.00045422559 0 9610 2617 5.9614732e-11 4.6923911e-11 1.2690821e-11 -number of iterations: 5000 -maxz = 4.629362e-04 -S-sub-bulk = 5.399204e-03 -S-sub-base = 4.539690e-04 -S-nh4-bulk = 1.694862e-02 -S-nh4-base = 1.382243e-02 - - 216109 1.6387441 12366 0.0004544483 0 9724 2642 6.0146238e-11 4.7347239e-11 1.2798999e-11 -Loop time of 1.63876 on 4 procs for 1 steps with 12366 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 216109 0 12366 0.0004544483 0 9724 2642 6.0146238e-11 4.7347239e-11 1.2798999e-11 - 216216 0.34657598 12366 0.00045613699 0 9724 2642 6.0146238e-11 4.7347239e-11 1.2798999e-11 - 217217 2.72808 12366 0.00045765055 0 9724 2642 6.0146238e-11 4.7347239e-11 1.2798999e-11 - 218109 4.6170671 12366 0.00045841945 0 9724 2642 6.0146238e-11 4.7347239e-11 1.2798999e-11 -Loop time of 4.6171 on 4 procs for 2000 steps with 12366 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 218109 0 12366 0.00045841945 0 9724 2642 6.0146238e-11 4.7347239e-11 1.2798999e-11 -number of iterations: 5000 -maxz = 4.661807e-04 -S-sub-bulk = 5.346867e-03 -S-sub-base = 4.498533e-04 -S-nh4-bulk = 1.703935e-02 -S-nh4-base = 1.388315e-02 - - 218110 1.6411481 12472 0.00045869344 0 9809 2663 6.0689984e-11 4.7782705e-11 1.2907279e-11 -Loop time of 1.64116 on 4 procs for 1 steps with 12472 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 218110 0 12472 0.00045869344 0 9809 2663 6.0689984e-11 4.7782705e-11 1.2907279e-11 - 218218 0.33703494 12472 0.00046030806 0 9809 2663 6.0689984e-11 4.7782705e-11 1.2907279e-11 - 219219 2.650769 12472 0.0004614894 0 9809 2663 6.0689984e-11 4.7782705e-11 1.2907279e-11 - 220110 4.543699 12472 0.00046206062 0 9809 2663 6.0689984e-11 4.7782705e-11 1.2907279e-11 -Loop time of 4.54373 on 4 procs for 2000 steps with 12472 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 220110 0 12472 0.00046206062 0 9809 2663 6.0689984e-11 4.7782705e-11 1.2907279e-11 -number of iterations: 3739 -maxz = 4.701338e-04 -S-sub-bulk = 5.147371e-03 -S-sub-base = 4.466211e-04 -S-nh4-bulk = 1.706326e-02 -S-nh4-base = 1.393041e-02 - - 220111 1.2588511 12598 0.00046226078 0 9915 2683 6.1248067e-11 4.8231114e-11 1.3016953e-11 -Loop time of 1.25887 on 4 procs for 1 steps with 12598 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 220111 0 12598 0.00046226078 0 9915 2683 6.1248067e-11 4.8231114e-11 1.3016953e-11 - 220220 0.38303494 12598 0.00046398147 0 9915 2683 6.1248067e-11 4.8231114e-11 1.3016953e-11 - 221221 3.3986449 12598 0.00046556022 0 9915 2683 6.1248067e-11 4.8231114e-11 1.3016953e-11 - 222111 5.67975 12598 0.00046633286 0 9915 2683 6.1248067e-11 4.8231114e-11 1.3016953e-11 -Loop time of 5.67978 on 4 procs for 2000 steps with 12598 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 222111 0 12598 0.00046633286 0 9915 2683 6.1248067e-11 4.8231114e-11 1.3016953e-11 -number of iterations: 5000 -maxz = 4.738581e-04 -S-sub-bulk = 5.256472e-03 -S-sub-base = 4.423863e-04 -S-nh4-bulk = 1.714573e-02 -S-nh4-base = 1.399658e-02 - - 222112 1.825706 12719 0.00046646308 0 10023 2696 6.1779415e-11 4.8655042e-11 1.3124373e-11 -Loop time of 1.82572 on 4 procs for 1 steps with 12719 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 222112 0 12719 0.00046646308 0 10023 2696 6.1779415e-11 4.8655042e-11 1.3124373e-11 - 222222 0.35611916 12719 0.00046848374 0 10023 2696 6.1779415e-11 4.8655042e-11 1.3124373e-11 - 223223 2.73402 12719 0.00046964055 0 10023 2696 6.1779415e-11 4.8655042e-11 1.3124373e-11 - 224112 4.6194181 12719 0.00046987744 0 10023 2696 6.1779415e-11 4.8655042e-11 1.3124373e-11 -Loop time of 4.61945 on 4 procs for 2000 steps with 12719 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 224112 0 12719 0.00046987744 0 10023 2696 6.1779415e-11 4.8655042e-11 1.3124373e-11 -number of iterations: 5000 -maxz = 4.770280e-04 -S-sub-bulk = 5.243904e-03 -S-sub-base = 4.388795e-04 -S-nh4-bulk = 1.719807e-02 -S-nh4-base = 1.406463e-02 - - 224113 1.6310771 12833 0.00047011369 0 10112 2721 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 1.63109 on 4 procs for 1 steps with 12833 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 224113 0 12833 0.00047011369 0 10112 2721 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 224224 0.35684204 12833 0.00047157871 0 10112 2721 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 225225 2.7406769 12833 0.0004730514 0 10112 2721 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 226113 4.6671691 12833 0.00047339637 0 10112 2721 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.6672 on 4 procs for 2000 steps with 12833 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 226113 0 12833 0.00047339637 0 10112 2721 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 3603 -maxz = 4.812924e-04 -S-sub-bulk = 5.060813e-03 -S-sub-base = 4.354668e-04 -S-nh4-bulk = 1.719112e-02 -S-nh4-base = 1.411290e-02 - - 226114 1.212754 12962 0.00047350381 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 1.21277 on 4 procs for 1 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 226114 0 12962 0.00047350381 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 226226 0.36926603 12962 0.00047445849 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 227227 2.7815819 12962 0.00047536949 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 228114 4.746521 12962 0.00047590472 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.74655 on 4 procs for 2000 steps with 12962 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 228114 0 12962 0.00047590472 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 5000 -maxz = 4.844630e-04 -S-sub-bulk = 5.329593e-03 -S-sub-base = 4.297791e-04 -S-nh4-bulk = 1.729067e-02 -S-nh4-base = 1.417885e-02 - - 228115 1.698808 12962 0.00047588274 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 1.69882 on 4 procs for 1 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 228115 0 12962 0.00047588274 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 228228 0.25308299 12962 0.0004759016 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 229229 2.3698142 12962 0.00047654373 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 230115 4.207948 12962 0.00047693458 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.20798 on 4 procs for 2000 steps with 12962 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 230115 0 12962 0.00047693458 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 3573 -maxz = 4.868867e-04 -S-sub-bulk = 5.489297e-03 -S-sub-base = 4.258849e-04 -S-nh4-bulk = 1.739565e-02 -S-nh4-base = 1.422495e-02 - - 230116 1.198149 12962 0.00047694888 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 1.19816 on 4 procs for 1 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 230116 0 12962 0.00047694888 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 230230 0.24755287 12962 0.00047701564 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 231231 2.366946 12962 0.00047757602 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 232116 4.2073789 12962 0.00047802567 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.20741 on 4 procs for 2000 steps with 12962 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 232116 0 12962 0.00047802567 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 1944 -maxz = 4.885394e-04 -S-sub-bulk = 5.523800e-03 -S-sub-base = 4.236592e-04 -S-nh4-bulk = 1.747610e-02 -S-nh4-base = 1.424924e-02 - - 232117 0.66033888 12962 0.00047802108 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 0.660353 on 4 procs for 1 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 232117 0 12962 0.00047802108 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 232232 0.23426414 12962 0.00047807929 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 233233 2.4063439 12962 0.00047862823 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 234117 4.291851 12962 0.00047909682 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.29188 on 4 procs for 2000 steps with 12962 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 234117 0 12962 0.00047909682 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 856 -maxz = 4.897559e-04 -S-sub-bulk = 5.487684e-03 -S-sub-base = 4.226115e-04 -S-nh4-bulk = 1.753498e-02 -S-nh4-base = 1.425980e-02 - - 234118 0.30240417 12962 0.00047909978 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 0.302419 on 4 procs for 1 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 234118 0 12962 0.00047909978 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 234234 0.23705411 12962 0.00047915214 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 235235 2.4429381 12962 0.00047984788 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 236118 4.38077 12962 0.00048056087 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.3808 on 4 procs for 2000 steps with 12962 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 236118 0 12962 0.00048056087 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 886 -maxz = 4.914034e-04 -S-sub-bulk = 5.401232e-03 -S-sub-base = 4.214885e-04 -S-nh4-bulk = 1.757391e-02 -S-nh4-base = 1.427067e-02 - - 236119 0.305691 12962 0.00048056746 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 0.305704 on 4 procs for 1 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 236119 0 12962 0.00048056746 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 236236 0.26561809 12962 0.00048063469 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 237237 2.40415 12962 0.00048114488 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 238119 4.238199 12962 0.00048185851 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.23823 on 4 procs for 2000 steps with 12962 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 238119 0 12962 0.00048185851 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 5000 -maxz = 4.927535e-04 -S-sub-bulk = 5.585120e-03 -S-sub-base = 4.151765e-04 -S-nh4-bulk = 1.769086e-02 -S-nh4-base = 1.433306e-02 - - 238120 1.6987848 12962 0.00048187184 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 1.6988 on 4 procs for 1 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 238120 0 12962 0.00048187184 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 238238 0.23699188 12962 0.00048191797 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 239239 2.491699 12962 0.00048249337 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 240120 4.469732 12962 0.00048316329 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.46976 on 4 procs for 2000 steps with 12962 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 240120 0 12962 0.00048316329 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 3856 -maxz = 4.941297e-04 -S-sub-bulk = 5.679780e-03 -S-sub-base = 4.118018e-04 -S-nh4-bulk = 1.780361e-02 -S-nh4-base = 1.438559e-02 - - 240121 1.3431671 12962 0.00048317291 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 1.34318 on 4 procs for 1 steps with 12962 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 240121 0 12962 0.00048317291 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 240240 0.26380897 12962 0.00048324418 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 241241 2.425317 12962 0.00048393514 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 242121 4.3108652 12962 0.0004846939 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.31089 on 4 procs for 2000 steps with 12962 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 242121 0 12962 0.0004846939 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 720 -maxz = 4.950359e-04 -S-sub-bulk = 5.688752e-03 -S-sub-base = 4.113209e-04 -S-nh4-bulk = 1.788436e-02 -S-nh4-base = 1.439579e-02 - - 242122 0.26111007 12962 0.00048470263 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 0.261125 on 4 procs for 1 steps with 12962 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 242122 0 12962 0.00048470263 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 242242 0.26094294 12962 0.00048482002 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 243243 2.41834 12962 0.00048551906 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 244122 4.5773869 12962 0.0004862322 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.57742 on 4 procs for 2000 steps with 12962 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 244122 0 12962 0.0004862322 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 550 -maxz = 4.959679e-04 -S-sub-bulk = 5.630196e-03 -S-sub-base = 4.109696e-04 -S-nh4-bulk = 1.793525e-02 -S-nh4-base = 1.440365e-02 - - 244123 0.20302582 12962 0.00048634519 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 0.20304 on 4 procs for 1 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 244123 0 12962 0.00048634519 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 244244 0.27641797 12962 0.00048637011 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 245245 2.4700699 12962 0.00048703643 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 246123 4.3595319 12962 0.00048759404 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.35956 on 4 procs for 2000 steps with 12962 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 246123 0 12962 0.00048759404 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 758 -maxz = 4.976162e-04 -S-sub-bulk = 5.526071e-03 -S-sub-base = 4.105018e-04 -S-nh4-bulk = 1.796375e-02 -S-nh4-base = 1.441458e-02 - - 246124 0.26894689 12962 0.00048757853 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 0.268961 on 4 procs for 1 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 246124 0 12962 0.00048757853 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 246246 0.26490998 12962 0.00048766671 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 247247 2.3834929 12962 0.00048836375 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 248124 4.363132 12962 0.00048889127 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.36316 on 4 procs for 2000 steps with 12962 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 248124 0 12962 0.00048889127 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 772 -maxz = 4.981941e-04 -S-sub-bulk = 5.409098e-03 -S-sub-base = 4.100391e-04 -S-nh4-bulk = 1.797467e-02 -S-nh4-base = 1.442581e-02 - - 248125 0.28292012 12962 0.00048883788 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 0.282934 on 4 procs for 1 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 248125 0 12962 0.00048883788 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 248248 0.30447483 12962 0.00048893599 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 249249 2.716923 12962 0.00048968654 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 250125 4.9184868 12962 0.00049021043 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.91851 on 4 procs for 2000 steps with 12962 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 250125 0 12962 0.00049021043 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 1478 -maxz = 4.992669e-04 -S-sub-bulk = 5.302010e-03 -S-sub-base = 4.091807e-04 -S-nh4-bulk = 1.796777e-02 -S-nh4-base = 1.444760e-02 - - 250126 0.62997103 12962 0.0004902181 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 0.629987 on 4 procs for 1 steps with 12962 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 250126 0 12962 0.0004902181 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 250250 0.33396721 12962 0.00049030234 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 251251 2.7734852 12962 0.00049082108 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 - 252126 4.557971 12962 0.00049139784 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -Loop time of 4.558 on 4 procs for 2000 steps with 12962 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 252126 0 12962 0.00049139784 0 10217 2745 6.2318304e-11 4.9086284e-11 1.3232019e-11 -number of iterations: 1827 -maxz = 5.004253e-04 -S-sub-bulk = 5.235195e-03 -S-sub-base = 4.081819e-04 -S-nh4-bulk = 1.795425e-02 -S-nh4-base = 1.447519e-02 - -number of iterations: 9043 -S-sub-bulk = 5.716104e-03 -S-sub-base = 4.052337e-04 -S-nh4-bulk = 1.806610e-02 -S-nh4-base = 1.462683e-02 - -number of iterations: 4677 -S-sub-bulk = 5.889431e-03 -S-sub-base = 4.030467e-04 -S-nh4-bulk = 1.815725e-02 -S-nh4-base = 1.470656e-02 - -number of iterations: 3432 -S-sub-bulk = 5.891247e-03 -S-sub-base = 4.003873e-04 -S-nh4-bulk = 1.822913e-02 -S-nh4-base = 1.476289e-02 - -number of iterations: 102 -S-sub-bulk = 5.889995e-03 -S-sub-base = 4.003040e-04 -S-nh4-bulk = 1.828202e-02 -S-nh4-base = 1.476455e-02 - -number of iterations: 132 -S-sub-bulk = 5.885804e-03 -S-sub-base = 4.001963e-04 -S-nh4-bulk = 1.832102e-02 -S-nh4-base = 1.476669e-02 - -number of iterations: 121 -S-sub-bulk = 5.879865e-03 -S-sub-base = 4.000980e-04 -S-nh4-bulk = 1.834980e-02 -S-nh4-base = 1.476866e-02 - -number of iterations: 101 -S-sub-bulk = 5.873252e-03 -S-sub-base = 4.000162e-04 -S-nh4-bulk = 1.837106e-02 -S-nh4-base = 1.477029e-02 - -number of iterations: 81 -S-sub-bulk = 5.866704e-03 -S-sub-base = 3.999507e-04 -S-nh4-bulk = 1.838676e-02 -S-nh4-base = 1.477161e-02 - -number of iterations: 60 -S-sub-bulk = 5.860719e-03 -S-sub-base = 3.999024e-04 -S-nh4-bulk = 1.839836e-02 -S-nh4-base = 1.477258e-02 - -number of iterations: 49 -S-sub-bulk = 5.855422e-03 -S-sub-base = 3.998629e-04 -S-nh4-bulk = 1.840693e-02 -S-nh4-base = 1.477338e-02 - -number of iterations: 40 -S-sub-bulk = 5.850838e-03 -S-sub-base = 3.998308e-04 -S-nh4-bulk = 1.841328e-02 -S-nh4-base = 1.477403e-02 - -number of iterations: 44 -S-sub-bulk = 5.846750e-03 -S-sub-base = 3.997956e-04 -S-nh4-bulk = 1.841799e-02 -S-nh4-base = 1.477474e-02 - -number of iterations: 42 -S-sub-bulk = 5.843096e-03 -S-sub-base = 3.997620e-04 -S-nh4-bulk = 1.842149e-02 -S-nh4-base = 1.477542e-02 - -number of iterations: 39 -S-sub-bulk = 5.839839e-03 -S-sub-base = 3.997308e-04 -S-nh4-bulk = 1.842412e-02 -S-nh4-base = 1.477605e-02 - -number of iterations: 36 -S-sub-bulk = 5.836942e-03 -S-sub-base = 3.997021e-04 -S-nh4-bulk = 1.842609e-02 -S-nh4-base = 1.477664e-02 - -number of iterations: 33 -S-sub-bulk = 5.834371e-03 -S-sub-base = 3.996759e-04 -S-nh4-bulk = 1.842758e-02 -S-nh4-base = 1.477717e-02 - -number of iterations: 31 -S-sub-bulk = 5.832085e-03 -S-sub-base = 3.996512e-04 -S-nh4-bulk = 1.842871e-02 -S-nh4-base = 1.477767e-02 - -number of iterations: 29 -S-sub-bulk = 5.830048e-03 -S-sub-base = 3.996282e-04 -S-nh4-bulk = 1.842957e-02 -S-nh4-base = 1.477814e-02 - -number of iterations: 29 -S-sub-bulk = 5.828207e-03 -S-sub-base = 3.996052e-04 -S-nh4-bulk = 1.843024e-02 -S-nh4-base = 1.477861e-02 - -number of iterations: 29 -S-sub-bulk = 5.826521e-03 -S-sub-base = 3.995823e-04 -S-nh4-bulk = 1.843077e-02 -S-nh4-base = 1.477908e-02 - -number of iterations: 29 -S-sub-bulk = 5.824959e-03 -S-sub-base = 3.995594e-04 -S-nh4-bulk = 1.843119e-02 -S-nh4-base = 1.477955e-02 - -number of iterations: 29 -S-sub-bulk = 5.823499e-03 -S-sub-base = 3.995365e-04 -S-nh4-bulk = 1.843154e-02 -S-nh4-base = 1.478002e-02 - -number of iterations: 29 -S-sub-bulk = 5.822122e-03 -S-sub-base = 3.995137e-04 -S-nh4-bulk = 1.843183e-02 -S-nh4-base = 1.478049e-02 - -number of iterations: 29 -S-sub-bulk = 5.820813e-03 -S-sub-base = 3.994909e-04 -S-nh4-bulk = 1.843208e-02 -S-nh4-base = 1.478096e-02 - -number of iterations: 29 -S-sub-bulk = 5.819564e-03 -S-sub-base = 3.994681e-04 -S-nh4-bulk = 1.843230e-02 -S-nh4-base = 1.478143e-02 - -number of iterations: 29 -S-sub-bulk = 5.818364e-03 -S-sub-base = 3.994454e-04 -S-nh4-bulk = 1.843250e-02 -S-nh4-base = 1.478190e-02 - -number of iterations: 29 -S-sub-bulk = 5.817207e-03 -S-sub-base = 3.994227e-04 -S-nh4-bulk = 1.843268e-02 -S-nh4-base = 1.478237e-02 - -number of iterations: 29 -S-sub-bulk = 5.816089e-03 -S-sub-base = 3.994001e-04 -S-nh4-bulk = 1.843285e-02 -S-nh4-base = 1.478284e-02 - -number of iterations: 29 -S-sub-bulk = 5.815005e-03 -S-sub-base = 3.993775e-04 -S-nh4-bulk = 1.843301e-02 -S-nh4-base = 1.478331e-02 - -number of iterations: 29 -S-sub-bulk = 5.813952e-03 -S-sub-base = 3.993549e-04 -S-nh4-bulk = 1.843317e-02 -S-nh4-base = 1.478378e-02 - -number of iterations: 29 -S-sub-bulk = 5.812928e-03 -S-sub-base = 3.993324e-04 -S-nh4-bulk = 1.843332e-02 -S-nh4-base = 1.478425e-02 - -number of iterations: 29 -S-sub-bulk = 5.811930e-03 -S-sub-base = 3.993099e-04 -S-nh4-bulk = 1.843346e-02 -S-nh4-base = 1.478472e-02 - -number of iterations: 29 -S-sub-bulk = 5.810957e-03 -S-sub-base = 3.992875e-04 -S-nh4-bulk = 1.843361e-02 -S-nh4-base = 1.478519e-02 - -number of iterations: 29 -S-sub-bulk = 5.810008e-03 -S-sub-base = 3.992651e-04 -S-nh4-bulk = 1.843375e-02 -S-nh4-base = 1.478566e-02 - -number of iterations: 29 -S-sub-bulk = 5.809081e-03 -S-sub-base = 3.992428e-04 -S-nh4-bulk = 1.843389e-02 -S-nh4-base = 1.478613e-02 - -number of iterations: 29 -S-sub-bulk = 5.808176e-03 -S-sub-base = 3.992205e-04 -S-nh4-bulk = 1.843403e-02 -S-nh4-base = 1.478660e-02 - -number of iterations: 29 -S-sub-bulk = 5.807291e-03 -S-sub-base = 3.991982e-04 -S-nh4-bulk = 1.843417e-02 -S-nh4-base = 1.478707e-02 - -number of iterations: 29 -S-sub-bulk = 5.806427e-03 -S-sub-base = 3.991760e-04 -S-nh4-bulk = 1.843431e-02 -S-nh4-base = 1.478754e-02 - -number of iterations: 29 -S-sub-bulk = 5.805581e-03 -S-sub-base = 3.991539e-04 -S-nh4-bulk = 1.843445e-02 -S-nh4-base = 1.478801e-02 - -number of iterations: 29 -S-sub-bulk = 5.804755e-03 -S-sub-base = 3.991318e-04 -S-nh4-bulk = 1.843458e-02 -S-nh4-base = 1.478847e-02 - -number of iterations: 29 -S-sub-bulk = 5.803947e-03 -S-sub-base = 3.991097e-04 -S-nh4-bulk = 1.843472e-02 -S-nh4-base = 1.478894e-02 - -number of iterations: 29 -S-sub-bulk = 5.803156e-03 -S-sub-base = 3.990877e-04 -S-nh4-bulk = 1.843486e-02 -S-nh4-base = 1.478941e-02 - -number of iterations: 29 -S-sub-bulk = 5.802383e-03 -S-sub-base = 3.990657e-04 -S-nh4-bulk = 1.843500e-02 -S-nh4-base = 1.478988e-02 - -number of iterations: 29 -S-sub-bulk = 5.801627e-03 -S-sub-base = 3.990438e-04 -S-nh4-bulk = 1.843514e-02 -S-nh4-base = 1.479035e-02 - -number of iterations: 29 -S-sub-bulk = 5.800888e-03 -S-sub-base = 3.990219e-04 -S-nh4-bulk = 1.843528e-02 -S-nh4-base = 1.479082e-02 - -number of iterations: 29 -S-sub-bulk = 5.800165e-03 -S-sub-base = 3.990001e-04 -S-nh4-bulk = 1.843542e-02 -S-nh4-base = 1.479129e-02 - -number of iterations: 29 -S-sub-bulk = 5.799458e-03 -S-sub-base = 3.989784e-04 -S-nh4-bulk = 1.843555e-02 -S-nh4-base = 1.479176e-02 - -number of iterations: 29 -S-sub-bulk = 5.798767e-03 -S-sub-base = 3.989567e-04 -S-nh4-bulk = 1.843569e-02 -S-nh4-base = 1.479223e-02 - -number of iterations: 29 -S-sub-bulk = 5.798091e-03 -S-sub-base = 3.989350e-04 -S-nh4-bulk = 1.843583e-02 -S-nh4-base = 1.479270e-02 - -number of iterations: 29 -S-sub-bulk = 5.797430e-03 -S-sub-base = 3.989134e-04 -S-nh4-bulk = 1.843597e-02 -S-nh4-base = 1.479317e-02 - -ERROR: Finish (../fix_bio_verify.cpp:310) diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/lowN/Inputscript.lammps b/examples/PAPER-NUFEB-TOOL/validation/benchmark3/lowN/Inputscript.lammps deleted file mode 100644 index bd324768b..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/lowN/Inputscript.lammps +++ /dev/null @@ -1,99 +0,0 @@ -# NUFEB simulation - -units si -atom_style bio -atom_modify map array sort 1000 5.0e-6 -boundary pp pp ff -newton off -processors 4 1 1 - -comm_modify vel yes - -read_data_bio atom.in - -group HET type 1 -group AOB type 2 - -variable x equal 40 -variable y equal 3 -variable z equal 1 - -lattice sc 2e-5 origin 0.75 0.5 0.5 -region reg block 0 $x 0 $y 0 $z -create_atoms 1 random 200 8767 reg - -#lattice sc 2e-5 origin 0.25 0.5 0.5 -region reg2 block 0 $x 0 $y 0 $z -create_atoms 2 random 200 12321 reg - -neighbor 5e-7 bin - -set type 1 diameter 9.5e-6 -set type 1 density 16 -set type 2 diameter 9.5e-6 -set type 2 density 16 - -neigh_modify delay 0 one 2000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 1440 - -variable kanc equal 50 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane 0.0 6e-04 - -fix zwa all walladh v_kanc zplane 0.0 6e-04 - -##############Define IBm Variables############## - -#EPS density, ratio variables and division diameter -variable EPSdens equal 30 -variable EPSratio equal 1.25 -variable divDia equal 1e-5 - -#kinetics variables -variable diffT equal 1e-3 -variable tol equal 1e-5 -variable layer equal 0 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 40 3 60 v_diffT v_layer niter 5000 demflag 0 -fix kgm all kinetics/growth/monod epsdens 30 -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 -fix d1 all divide 1 v_EPSdens v_divDia 1235 demflag 0 -fix vf1 all verify 1 bm3 demflag 0 - -##############Simulation Output############## - -compute myHeight all avg_height -compute myMass all biomass -compute myNtype all ntypes - -#dump du0 all bio 5010 biomass ntypes bulk -#dump id all custom 120100 snapshot.bubblemd id type diameter x y z -thermo_style custom step cpu atoms c_myHeight c_myNtype[*] c_myMass[*] -thermo 1001 -thermo_modify lost warn - -##############Two-loops Run############## - -run 3600 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d1 demflag 1" & -"fix_modify vf1 demflag 1" & -"timestep 0.1" & -"run 2000 pre no post no" & -"timestep 1440" & -"fix_modify k1 demflag 0" & -"fix_modify d1 demflag 0" & -"fix_modify vf1 demflag 0" - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/lowN/atom.in b/examples/PAPER-NUFEB-TOOL/validation/benchmark3/lowN/atom.in deleted file mode 100644 index 6a3ca3572..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/lowN/atom.in +++ /dev/null @@ -1,60 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 2 atom types - 5 nutrients - - 0.000000e-04 4.000000e-04 xlo xhi - 0.000000e-04 3.000000e-05 ylo yhi - 0.000000e-04 6.000000e-04 zlo zhi - - Atoms - - Nutrients - - 1 sub l pp pp nd 0.03 0.03 - 2 o2 l pp pp nd 0.01 0.01 - 3 nh4 l pp pp nd 0.0015 0.0015 - 4 no2 l pp pp nd 1e-4 1e-4 - 5 no3 l pp pp nd 1e-4 1e-4 - - - Diffusion Coeffs - - sub 1.1574e-9 - o2 2.3148e-9 - nh4 1.9676e-9 - no2 0 - no3 0 - - Type Name - - 1 het - 2 aob - - Ks - - het 4e-3 2e-4 0 0 0 - aob 0 5e-4 1e-3 0 0 - -Growth Rate - - het 0.000069444 - aob 0.000025463 - - Yield - - het 0.63 - aob 0.24 - - Maintenance - - het 0.000003694 - aob 0.000001389 - - Decay - - het 0.000000917 - aob 0.000000347 - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/lowN/result b/examples/PAPER-NUFEB-TOOL/validation/benchmark3/lowN/result deleted file mode 100644 index 455d310b8..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/lowN/result +++ /dev/null @@ -1,5741 +0,0 @@ -LAMMPS (5 Nov 2016) -# NUFEB simulation - -units si -atom_style bio -atom_modify map array sort 1000 5.0e-6 -boundary pp pp ff -newton off -processors 4 1 1 - -comm_modify vel yes - -read_data_bio atom.in - orthogonal box = (0 0 0) to (0.0004 3e-05 0.0006) - 4 by 1 by 1 MPI processor grid - reading atoms ... - 0 atoms - 5 nutrients - -group HET type 1 -0 atoms in group HET -group AOB type 2 -0 atoms in group AOB - -variable x equal 40 -variable y equal 3 -variable z equal 1 - -lattice sc 2e-5 origin 0.75 0.5 0.5 -Lattice spacing in x,y,z = 2e-05 2e-05 2e-05 -region reg block 0 $x 0 $y 0 $z -region reg block 0 40 0 $y 0 $z -region reg block 0 40 0 3 0 $z -region reg block 0 40 0 3 0 1 -create_atoms 1 random 200 8767 reg -Created 200 atoms - -#lattice sc 2e-5 origin 0.25 0.5 0.5 -region reg2 block 0 $x 0 $y 0 $z -region reg2 block 0 40 0 $y 0 $z -region reg2 block 0 40 0 3 0 $z -region reg2 block 0 40 0 3 0 1 -create_atoms 2 random 200 12321 reg -Created 200 atoms - -neighbor 5e-7 bin - -set type 1 diameter 9.5e-6 - 200 settings made for diameter -set type 1 density 16 - 200 settings made for density -set type 2 diameter 9.5e-6 - 200 settings made for diameter -set type 2 density 16 - 200 settings made for density - -neigh_modify delay 0 one 2000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 1440 - -variable kanc equal 50 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane 0.0 6e-04 - -fix zwa all walladh v_kanc zplane 0.0 6e-04 - -variable ke equal 5e+10 -#fix j1 all epsadh 1 v_ke 1 - -##############Define IBm Variables############## - -#EPS density, ratio variables and division diameter -variable EPSdens equal 30 -variable EPSratio equal 1.25 -variable divDia equal 1e-5 - -#kinetics variables -variable etaHET equal 0.0 -variable diffT equal 1e-3 -variable tol equal 1e-5 -variable layer equal 0 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 40 3 60 v_diffT v_layer niter 5000 demflag 0 -fix kgm all kinetics/growth/monod v_EPSdens v_etaHET -fix g1 all kinetics/diffusion v_tol pp pp nd kg bulk 2.31e-7 1.25e-3 0.1 -fix d1 all divide 1 v_EPSdens v_divDia 1235 demflag 0 -fix vf1 all verify 1 bm3 demflag 0 - -##############Simulation Output############## - -compute myHeight all avg_height -compute myMass all biomass -compute myNtype all ntypes - -#dump du0 all bio 5010 biomass ntypes bulk -#dump id all custom 120100 snapshot.bubblemd id type diameter x y z -thermo_style custom step cpu atoms c_myHeight c_myNtype[*] c_myMass[*] -thermo 1001 -thermo_modify lost warn - -##############Two-loops Run############## - -run 3600 pre no post no every 1 "fix_modify k1 demflag 1" "fix_modify d1 demflag 1" "fix_modify vf1 demflag 1" "timestep 0.1" "run 2000 pre no post no" "timestep 1440" "fix_modify k1 demflag 0" "fix_modify d1 demflag 0" "fix_modify vf1 demflag 0" -WARNING: EPS is not defined in fix_kinetics/kinetics/monod (../fix_bio_kinetics_monod.cpp:253) -ae = 1.350000e+02, top = 2.474847e-05, base = 4.791529e-06, ave_h = 9.313456e-06 -Neighbor list info ... - 2 neighbor list requests - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 1e-05 - ghost atom cutoff = 1e-05 - binsize = 5e-06 -> bins = 80 6 120 -Memory usage per processor = 7.47557 Mbytes -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 0 0 400 1.7066496e-05 0 200 200 2.8730912e-12 1.4365456e-12 1.4365456e-12 -number of iterations: 640 -maxz = 2.488415e-05 -S-sub-bulk = 2.868653e-02 -S-sub-base = 2.983453e-02 -S-nh4-bulk = 6.801953e-04 -S-nh4-base = 1.430987e-03 - - 1 0.029314995 400 1.7350659e-05 0 200 200 3.0138916e-12 1.5512835e-12 1.462608e-12 -Loop time of 0.0293276 on 4 procs for 1 steps with 400 atoms - -99.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 1 0 400 1.7350659e-05 0 200 200 3.0138916e-12 1.5512835e-12 1.462608e-12 - 1001 0.055073023 400 2.7290251e-05 0 200 200 3.0138916e-12 1.5512835e-12 1.462608e-12 - 2001 0.088888884 400 2.7280657e-05 0 200 200 3.0138916e-12 1.5512835e-12 1.462608e-12 -Loop time of 0.0889099 on 4 procs for 2000 steps with 400 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 2001 0 400 2.7280657e-05 0 200 200 3.0138916e-12 1.5512835e-12 1.462608e-12 -number of iterations: 1267 -maxz = 3.581285e-05 -S-sub-bulk = 2.762453e-02 -S-sub-base = 2.856590e-02 -S-nh4-bulk = 3.381511e-04 -S-nh4-base = 6.448050e-04 - - 2002 0.060990095 400 2.7489717e-05 0 200 200 3.1537967e-12 1.6745366e-12 1.4792601e-12 -Loop time of 0.0610054 on 4 procs for 1 steps with 400 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 2002 0 400 2.7489717e-05 0 200 200 3.1537967e-12 1.6745366e-12 1.4792601e-12 - 3003 0.040714025 400 2.7832995e-05 0 200 200 3.1537967e-12 1.6745366e-12 1.4792601e-12 - 4002 0.07287693 400 2.7904184e-05 0 200 200 3.1537967e-12 1.6745366e-12 1.4792601e-12 -Loop time of 0.0728939 on 4 procs for 2000 steps with 400 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 4002 0 400 2.7904184e-05 0 200 200 3.1537967e-12 1.6745366e-12 1.4792601e-12 -number of iterations: 1948 -maxz = 3.699991e-05 -S-sub-bulk = 2.674096e-02 -S-sub-base = 2.740302e-02 -S-nh4-bulk = 3.095651e-04 -S-nh4-base = 3.030312e-04 - - 4003 0.078019142 400 2.8032983e-05 0 200 200 3.2946946e-12 1.8068297e-12 1.4878649e-12 -Loop time of 0.0780318 on 4 procs for 1 steps with 400 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 4003 0 400 2.8032983e-05 0 200 200 3.2946946e-12 1.8068297e-12 1.4878649e-12 - 4004 6.0081482e-05 400 2.7977673e-05 0 200 200 3.2946946e-12 1.8068297e-12 1.4878649e-12 - 5005 0.029379129 400 2.9061268e-05 0 200 200 3.2946946e-12 1.8068297e-12 1.4878649e-12 - 6003 0.05036211 400 2.907349e-05 0 200 200 3.2946946e-12 1.8068297e-12 1.4878649e-12 -Loop time of 0.0503769 on 4 procs for 2000 steps with 400 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 6003 0 400 2.907349e-05 0 200 200 3.2946946e-12 1.8068297e-12 1.4878649e-12 -number of iterations: 1180 -maxz = 4.032802e-05 -S-sub-bulk = 2.597912e-02 -S-sub-base = 2.660109e-02 -S-nh4-bulk = 3.084460e-04 -S-nh4-base = 2.774512e-04 - - 6004 0.042942047 600 3.0230783e-05 0 400 200 3.4447092e-12 1.9489753e-12 1.4957339e-12 -Loop time of 0.0429537 on 4 procs for 1 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 6004 0 600 3.0230783e-05 0 400 200 3.4447092e-12 1.9489753e-12 1.4957339e-12 - 6006 0.00011396408 600 3.0634335e-05 0 400 200 3.4447092e-12 1.9489753e-12 1.4957339e-12 - 7007 0.041764975 600 3.3230353e-05 0 400 200 3.4447092e-12 1.9489753e-12 1.4957339e-12 - 8004 0.069434166 600 3.3237621e-05 0 400 200 3.4447092e-12 1.9489753e-12 1.4957339e-12 -Loop time of 0.0694494 on 4 procs for 2000 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 8004 0 600 3.3237621e-05 0 400 200 3.4447092e-12 1.9489753e-12 1.4957339e-12 -number of iterations: 1528 -maxz = 4.304610e-05 -S-sub-bulk = 2.529925e-02 -S-sub-base = 2.578954e-02 -S-nh4-bulk = 3.161716e-04 -S-nh4-base = 2.653644e-04 - - 8005 0.064414978 600 3.3239735e-05 0 400 200 3.6048822e-12 2.1016051e-12 1.5032771e-12 -Loop time of 0.0644314 on 4 procs for 1 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 8005 0 600 3.3239735e-05 0 400 200 3.6048822e-12 2.1016051e-12 1.5032771e-12 - 8008 0.00032711029 600 3.34196e-05 0 400 200 3.6048822e-12 2.1016051e-12 1.5032771e-12 - 9009 0.039344072 600 3.4181177e-05 0 400 200 3.6048822e-12 2.1016051e-12 1.5032771e-12 - 10005 0.066703081 600 3.4182317e-05 0 400 200 3.6048822e-12 2.1016051e-12 1.5032771e-12 -Loop time of 0.0667169 on 4 procs for 2000 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 10005 0 600 3.4182317e-05 0 400 200 3.6048822e-12 2.1016051e-12 1.5032771e-12 -number of iterations: 1437 -maxz = 4.352944e-05 -S-sub-bulk = 2.467038e-02 -S-sub-base = 2.507971e-02 -S-nh4-bulk = 3.143591e-04 -S-nh4-base = 2.713251e-04 - - 10006 0.061659813 600 3.4154013e-05 0 400 200 3.7765869e-12 2.2655152e-12 1.5110717e-12 -Loop time of 0.0616725 on 4 procs for 1 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 10006 0 600 3.4154013e-05 0 400 200 3.7765869e-12 2.2655152e-12 1.5110717e-12 - 10010 0.00039601326 600 3.4466507e-05 0 400 200 3.7765869e-12 2.2655152e-12 1.5110717e-12 - 11011 0.045300007 600 3.4983695e-05 0 400 200 3.7765869e-12 2.2655152e-12 1.5110717e-12 - 12006 0.077202082 600 3.5075982e-05 0 400 200 3.7765869e-12 2.2655152e-12 1.5110717e-12 -Loop time of 0.0772178 on 4 procs for 2000 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 12006 0 600 3.5075982e-05 0 400 200 3.7765869e-12 2.2655152e-12 1.5110717e-12 -number of iterations: 1402 -maxz = 4.444343e-05 -S-sub-bulk = 2.406967e-02 -S-sub-base = 2.442061e-02 -S-nh4-bulk = 3.122530e-04 -S-nh4-base = 2.703210e-04 - - 12007 0.062046051 600 3.5131111e-05 0 400 200 3.9603831e-12 2.4415076e-12 1.5188755e-12 -Loop time of 0.0620589 on 4 procs for 1 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 12007 0 600 3.5131111e-05 0 400 200 3.9603831e-12 2.4415076e-12 1.5188755e-12 - 12012 0.00044798851 600 3.5294692e-05 0 400 200 3.9603831e-12 2.4415076e-12 1.5188755e-12 - 13013 0.046887159 600 3.6305101e-05 0 400 200 3.9603831e-12 2.4415076e-12 1.5188755e-12 - 14007 0.080104113 600 3.6426499e-05 0 400 200 3.9603831e-12 2.4415076e-12 1.5188755e-12 -Loop time of 0.0801239 on 4 procs for 2000 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 14007 0 600 3.6426499e-05 0 400 200 3.9603831e-12 2.4415076e-12 1.5188755e-12 -number of iterations: 1388 -maxz = 4.595417e-05 -S-sub-bulk = 2.347995e-02 -S-sub-base = 2.379000e-02 -S-nh4-bulk = 3.098326e-04 -S-nh4-base = 2.690729e-04 - - 14008 0.061816931 600 3.6440319e-05 0 400 200 4.1571103e-12 2.6304183e-12 1.5266921e-12 -Loop time of 0.0618303 on 4 procs for 1 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 14008 0 600 3.6440319e-05 0 400 200 4.1571103e-12 2.6304183e-12 1.5266921e-12 - 14014 0.0007379055 600 3.6665308e-05 0 400 200 4.1571103e-12 2.6304183e-12 1.5266921e-12 - 15015 0.05287385 600 3.7489017e-05 0 400 200 4.1571103e-12 2.6304183e-12 1.5266921e-12 - 16008 0.090098858 600 3.7710203e-05 0 400 200 4.1571103e-12 2.6304183e-12 1.5266921e-12 -Loop time of 0.0901177 on 4 procs for 2000 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 16008 0 600 3.7710203e-05 0 400 200 4.1571103e-12 2.6304183e-12 1.5266921e-12 -number of iterations: 1392 -maxz = 4.747584e-05 -S-sub-bulk = 2.288819e-02 -S-sub-base = 2.317074e-02 -S-nh4-bulk = 3.075155e-04 -S-nh4-base = 2.675420e-04 - - 16009 0.059736967 600 3.7777134e-05 0 400 200 4.3676272e-12 2.833118e-12 1.5345093e-12 -Loop time of 0.0597501 on 4 procs for 1 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 16009 0 600 3.7777134e-05 0 400 200 4.3676272e-12 2.833118e-12 1.5345093e-12 - 16016 0.00074195862 600 3.7976076e-05 0 400 200 4.3676272e-12 2.833118e-12 1.5345093e-12 - 17017 0.050384998 600 3.9033239e-05 0 400 200 4.3676272e-12 2.833118e-12 1.5345093e-12 - 18009 0.084388971 600 3.9100515e-05 0 400 200 4.3676272e-12 2.833118e-12 1.5345093e-12 -Loop time of 0.0844061 on 4 procs for 2000 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 18009 0 600 3.9100515e-05 0 400 200 4.3676272e-12 2.833118e-12 1.5345093e-12 -number of iterations: 1412 -maxz = 4.815647e-05 -S-sub-bulk = 2.228440e-02 -S-sub-base = 2.255339e-02 -S-nh4-bulk = 3.047695e-04 -S-nh4-base = 2.664446e-04 - - 18010 0.062196016 628 3.9358227e-05 0 428 200 4.5928564e-12 3.0505112e-12 1.5423452e-12 -Loop time of 0.0622122 on 4 procs for 1 steps with 628 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 18010 0 628 3.9358227e-05 0 428 200 4.5928564e-12 3.0505112e-12 1.5423452e-12 - 18018 0.00082707405 628 3.9594752e-05 0 428 200 4.5928564e-12 3.0505112e-12 1.5423452e-12 - 19019 0.053766012 628 4.1351928e-05 0 428 200 4.5928564e-12 3.0505112e-12 1.5423452e-12 - 20010 0.087218046 628 4.1450607e-05 0 428 200 4.5928564e-12 3.0505112e-12 1.5423452e-12 -Loop time of 0.0872328 on 4 procs for 2000 steps with 628 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 20010 0 628 4.1450607e-05 0 428 200 4.5928564e-12 3.0505112e-12 1.5423452e-12 -number of iterations: 1440 -maxz = 5.281085e-05 -S-sub-bulk = 2.166084e-02 -S-sub-base = 2.192903e-02 -S-nh4-bulk = 3.021079e-04 -S-nh4-base = 2.650323e-04 - - 20011 0.065375805 717 4.1737108e-05 0 517 200 4.833721e-12 3.2835355e-12 1.5501856e-12 -Loop time of 0.0653929 on 4 procs for 1 steps with 717 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 20011 0 717 4.1737108e-05 0 517 200 4.833721e-12 3.2835355e-12 1.5501856e-12 - 20020 0.0010910034 717 4.2346934e-05 0 517 200 4.833721e-12 3.2835355e-12 1.5501856e-12 - 21021 0.05856514 717 4.4279739e-05 0 517 200 4.833721e-12 3.2835355e-12 1.5501856e-12 - 22011 0.094638109 717 4.4260219e-05 0 517 200 4.833721e-12 3.2835355e-12 1.5501856e-12 -Loop time of 0.094655 on 4 procs for 2000 steps with 717 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 22011 0 717 4.4260219e-05 0 517 200 4.833721e-12 3.2835355e-12 1.5501856e-12 -number of iterations: 1979 -maxz = 5.619715e-05 -S-sub-bulk = 2.101528e-02 -S-sub-base = 2.114418e-02 -S-nh4-bulk = 3.101860e-04 -S-nh4-base = 2.526675e-04 - - 22012 0.10013008 786 4.4499143e-05 0 586 200 5.0904476e-12 3.5328005e-12 1.5576471e-12 -Loop time of 0.100147 on 4 procs for 1 steps with 786 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 22012 0 786 4.4499143e-05 0 586 200 5.0904476e-12 3.5328005e-12 1.5576471e-12 - 22022 0.0012748241 786 4.4928108e-05 0 586 200 5.0904476e-12 3.5328005e-12 1.5576471e-12 - 23023 0.065923929 786 4.6372876e-05 0 586 200 5.0904476e-12 3.5328005e-12 1.5576471e-12 - 24012 0.10334897 786 4.6556661e-05 0 586 200 5.0904476e-12 3.5328005e-12 1.5576471e-12 -Loop time of 0.103367 on 4 procs for 2000 steps with 786 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 24012 0 786 4.6556661e-05 0 586 200 5.0904476e-12 3.5328005e-12 1.5576471e-12 -number of iterations: 1855 -maxz = 5.818914e-05 -S-sub-bulk = 2.033970e-02 -S-sub-base = 2.046842e-02 -S-nh4-bulk = 3.072208e-04 -S-nh4-base = 2.591481e-04 - - 24013 0.090776205 841 4.666976e-05 0 641 200 5.3649191e-12 3.7995082e-12 1.5654109e-12 -Loop time of 0.0907927 on 4 procs for 1 steps with 841 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 24013 0 841 4.666976e-05 0 641 200 5.3649191e-12 3.7995082e-12 1.5654109e-12 - 24024 0.0014631748 841 4.7097358e-05 0 641 200 5.3649191e-12 3.7995082e-12 1.5654109e-12 - 25025 0.074623108 841 4.8284369e-05 0 641 200 5.3649191e-12 3.7995082e-12 1.5654109e-12 - 26013 0.1168921 841 4.8298982e-05 0 641 200 5.3649191e-12 3.7995082e-12 1.5654109e-12 -Loop time of 0.116914 on 4 procs for 2000 steps with 841 atoms - -99.1% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 26013 0 841 4.8298982e-05 0 641 200 5.3649191e-12 3.7995082e-12 1.5654109e-12 -number of iterations: 1946 -maxz = 5.918099e-05 -S-sub-bulk = 1.963123e-02 -S-sub-base = 1.975023e-02 -S-nh4-bulk = 3.041875e-04 -S-nh4-base = 2.580856e-04 - - 26014 0.097234011 904 4.8740178e-05 0 704 200 5.6577576e-12 4.0845708e-12 1.5731868e-12 -Loop time of 0.0972495 on 4 procs for 1 steps with 904 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 26014 0 904 4.8740178e-05 0 704 200 5.6577576e-12 4.0845708e-12 1.5731868e-12 - 26026 0.0019361973 904 4.9146087e-05 0 704 200 5.6577576e-12 4.0845708e-12 1.5731868e-12 - 27027 0.085544109 904 5.0956105e-05 0 704 200 5.6577576e-12 4.0845708e-12 1.5731868e-12 - 28014 0.14195299 904 5.1298918e-05 0 704 200 5.6577576e-12 4.0845708e-12 1.5731868e-12 -Loop time of 0.141974 on 4 procs for 2000 steps with 904 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 28014 0 904 5.1298918e-05 0 704 200 5.6577576e-12 4.0845708e-12 1.5731868e-12 -number of iterations: 2017 -maxz = 6.133257e-05 -S-sub-bulk = 1.888723e-02 -S-sub-base = 1.900867e-02 -S-nh4-bulk = 3.015031e-04 -S-nh4-base = 2.562432e-04 - - 28015 0.10970092 968 5.1597049e-05 0 768 200 5.9699055e-12 4.388945e-12 1.5809605e-12 -Loop time of 0.109717 on 4 procs for 1 steps with 968 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 28015 0 968 5.1597049e-05 0 768 200 5.9699055e-12 4.388945e-12 1.5809605e-12 - 28028 0.0023128986 968 5.2340709e-05 0 768 200 5.9699055e-12 4.388945e-12 1.5809605e-12 - 29029 0.093569994 968 5.3846932e-05 0 768 200 5.9699055e-12 4.388945e-12 1.5809605e-12 - 30015 0.15808702 968 5.4003498e-05 0 768 200 5.9699055e-12 4.388945e-12 1.5809605e-12 -Loop time of 0.158109 on 4 procs for 2000 steps with 968 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 30015 0 968 5.4003498e-05 0 768 200 5.9699055e-12 4.388945e-12 1.5809605e-12 -number of iterations: 2789 -maxz = 6.325237e-05 -S-sub-bulk = 1.811509e-02 -S-sub-base = 1.802558e-02 -S-nh4-bulk = 3.097455e-04 -S-nh4-base = 2.440796e-04 - - 30016 0.15639591 1000 5.4066774e-05 0 800 200 6.3010535e-12 4.7127043e-12 1.5883492e-12 -Loop time of 0.156408 on 4 procs for 1 steps with 1000 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 30016 0 1000 5.4066774e-05 0 800 200 6.3010535e-12 4.7127043e-12 1.5883492e-12 - 30030 0.0022540092 1000 5.4430716e-05 0 800 200 6.3010535e-12 4.7127043e-12 1.5883492e-12 - 31031 0.098117113 1000 5.5986164e-05 0 800 200 6.3010535e-12 4.7127043e-12 1.5883492e-12 - 32016 0.16260004 1000 5.6330132e-05 0 800 200 6.3010535e-12 4.7127043e-12 1.5883492e-12 -Loop time of 0.16262 on 4 procs for 2000 steps with 1000 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 32016 0 1000 5.6330132e-05 0 800 200 6.3010535e-12 4.7127043e-12 1.5883492e-12 -number of iterations: 2593 -maxz = 6.483067e-05 -S-sub-bulk = 1.730622e-02 -S-sub-base = 1.720624e-02 -S-nh4-bulk = 3.067789e-04 -S-nh4-base = 2.506675e-04 - - 32017 0.14309692 1000 5.6440848e-05 0 800 200 6.6532821e-12 5.0572373e-12 1.5960448e-12 -Loop time of 0.143113 on 4 procs for 1 steps with 1000 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 32017 0 1000 5.6440848e-05 0 800 200 6.6532821e-12 5.0572373e-12 1.5960448e-12 - 32032 0.0020890236 1000 5.6695892e-05 0 800 200 6.6532821e-12 5.0572373e-12 1.5960448e-12 - 33033 0.096402168 1000 5.7902579e-05 0 800 200 6.6532821e-12 5.0572373e-12 1.5960448e-12 - 34017 0.17208719 1000 5.8574827e-05 0 800 200 6.6532821e-12 5.0572373e-12 1.5960448e-12 -Loop time of 0.172104 on 4 procs for 2000 steps with 1000 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 34017 0 1000 5.8574827e-05 0 800 200 6.6532821e-12 5.0572373e-12 1.5960448e-12 -number of iterations: 2719 -maxz = 6.721865e-05 -S-sub-bulk = 1.646182e-02 -S-sub-base = 1.634838e-02 -S-nh4-bulk = 3.036880e-04 -S-nh4-base = 2.496742e-04 - - 34018 0.1521101 1020 5.8628981e-05 0 820 200 7.0269728e-12 5.423218e-12 1.6037548e-12 -Loop time of 0.152126 on 4 procs for 1 steps with 1020 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 34018 0 1020 5.8628981e-05 0 820 200 7.0269728e-12 5.423218e-12 1.6037548e-12 - 34034 0.0028400421 1020 5.9243102e-05 0 820 200 7.0269728e-12 5.423218e-12 1.6037548e-12 - 35035 0.10270309 1020 6.1137127e-05 0 820 200 7.0269728e-12 5.423218e-12 1.6037548e-12 - 36018 0.1796422 1020 6.1577229e-05 0 820 200 7.0269728e-12 5.423218e-12 1.6037548e-12 -Loop time of 0.179662 on 4 procs for 2000 steps with 1020 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 36018 0 1020 6.1577229e-05 0 820 200 7.0269728e-12 5.423218e-12 1.6037548e-12 -number of iterations: 2840 -maxz = 7.304390e-05 -S-sub-bulk = 1.558361e-02 -S-sub-base = 1.546514e-02 -S-nh4-bulk = 3.003467e-04 -S-nh4-base = 2.481518e-04 - - 36019 0.16068888 1088 6.1863193e-05 0 888 200 7.4227221e-12 5.8112374e-12 1.6114847e-12 -Loop time of 0.160704 on 4 procs for 1 steps with 1088 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 36019 0 1088 6.1863193e-05 0 888 200 7.4227221e-12 5.8112374e-12 1.6114847e-12 - 36036 0.003057003 1088 6.2621668e-05 0 888 200 7.4227221e-12 5.8112374e-12 1.6114847e-12 - 37037 0.11183596 1088 6.430201e-05 0 888 200 7.4227221e-12 5.8112374e-12 1.6114847e-12 - 38019 0.19108295 1088 6.477154e-05 0 888 200 7.4227221e-12 5.8112374e-12 1.6114847e-12 -Loop time of 0.1911 on 4 procs for 2000 steps with 1088 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 38019 0 1088 6.477154e-05 0 888 200 7.4227221e-12 5.8112374e-12 1.6114847e-12 -number of iterations: 3929 -maxz = 7.557009e-05 -S-sub-bulk = 1.469670e-02 -S-sub-base = 1.426495e-02 -S-nh4-bulk = 3.078347e-04 -S-nh4-base = 2.363127e-04 - - 38020 0.23741889 1157 6.497904e-05 0 957 200 7.8384757e-12 6.219636e-12 1.6188397e-12 -Loop time of 0.237432 on 4 procs for 1 steps with 1157 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 38020 0 1157 6.497904e-05 0 957 200 7.8384757e-12 6.219636e-12 1.6188397e-12 - 38038 0.0036871433 1157 6.5747669e-05 0 957 200 7.8384757e-12 6.219636e-12 1.6188397e-12 - 39039 0.12640214 1157 6.7476747e-05 0 957 200 7.8384757e-12 6.219636e-12 1.6188397e-12 - 40020 0.22029305 1157 6.7916327e-05 0 957 200 7.8384757e-12 6.219636e-12 1.6188397e-12 -Loop time of 0.220313 on 4 procs for 2000 steps with 1157 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 40020 0 1157 6.7916327e-05 0 957 200 7.8384757e-12 6.219636e-12 1.6188397e-12 -number of iterations: 3574 -maxz = 7.922180e-05 -S-sub-bulk = 1.378426e-02 -S-sub-base = 1.333237e-02 -S-nh4-bulk = 3.034158e-04 -S-nh4-base = 2.432462e-04 - - 40021 0.220608 1245 6.8267617e-05 0 1045 200 8.2766161e-12 6.6500822e-12 1.6265339e-12 -Loop time of 0.220624 on 4 procs for 1 steps with 1245 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 40021 0 1245 6.8267617e-05 0 1045 200 8.2766161e-12 6.6500822e-12 1.6265339e-12 - 40040 0.0041189194 1245 6.9131347e-05 0 1045 200 8.2766161e-12 6.6500822e-12 1.6265339e-12 - 41041 0.13918781 1245 7.1077754e-05 0 1045 200 8.2766161e-12 6.6500822e-12 1.6265339e-12 - 42021 0.24468589 1245 7.1825775e-05 0 1045 200 8.2766161e-12 6.6500822e-12 1.6265339e-12 -Loop time of 0.244705 on 4 procs for 2000 steps with 1245 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 42021 0 1245 7.1825775e-05 0 1045 200 8.2766161e-12 6.6500822e-12 1.6265339e-12 -number of iterations: 3728 -maxz = 8.438756e-05 -S-sub-bulk = 1.285352e-02 -S-sub-base = 1.238936e-02 -S-nh4-bulk = 2.992656e-04 -S-nh4-base = 2.418026e-04 - - 42022 0.23500204 1381 7.2185387e-05 0 1181 200 8.736634e-12 7.102392e-12 1.6342419e-12 -Loop time of 0.235016 on 4 procs for 1 steps with 1381 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 42022 0 1381 7.2185387e-05 0 1181 200 8.736634e-12 7.102392e-12 1.6342419e-12 - 42042 0.0047268867 1381 7.3290454e-05 0 1181 200 8.736634e-12 7.102392e-12 1.6342419e-12 - 43043 0.15690088 1381 7.5157007e-05 0 1181 200 8.736634e-12 7.102392e-12 1.6342419e-12 - 44022 0.27534199 1381 7.5798329e-05 0 1181 200 8.736634e-12 7.102392e-12 1.6342419e-12 -Loop time of 0.275362 on 4 procs for 2000 steps with 1381 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 44022 0 1381 7.5798329e-05 0 1181 200 8.736634e-12 7.102392e-12 1.6342419e-12 -number of iterations: 5000 -maxz = 8.882232e-05 -S-sub-bulk = 1.195570e-02 -S-sub-base = 1.111165e-02 -S-nh4-bulk = 3.075688e-04 -S-nh4-base = 2.291319e-04 - - 44023 0.34054995 1499 7.618838e-05 0 1299 200 9.2135752e-12 7.5720505e-12 1.6415246e-12 -Loop time of 0.340566 on 4 procs for 1 steps with 1499 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 44023 0 1499 7.618838e-05 0 1299 200 9.2135752e-12 7.5720505e-12 1.6415246e-12 - 44044 0.0057091713 1499 7.7257406e-05 0 1299 200 9.2135752e-12 7.5720505e-12 1.6415246e-12 - 45045 0.17425799 1499 7.9105619e-05 0 1299 200 9.2135752e-12 7.5720505e-12 1.6415246e-12 - 46023 0.30844903 1499 7.9660706e-05 0 1299 200 9.2135752e-12 7.5720505e-12 1.6415246e-12 -Loop time of 0.308469 on 4 procs for 2000 steps with 1499 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 46023 0 1499 7.9660706e-05 0 1299 200 9.2135752e-12 7.5720505e-12 1.6415246e-12 -number of iterations: 4590 -maxz = 9.182282e-05 -S-sub-bulk = 1.106072e-02 -S-sub-base = 1.016450e-02 -S-nh4-bulk = 3.025210e-04 -S-nh4-base = 2.367283e-04 - - 46024 0.31351686 1591 7.9868167e-05 0 1391 200 9.7101416e-12 8.0609509e-12 1.6491907e-12 -Loop time of 0.313532 on 4 procs for 1 steps with 1591 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 46024 0 1591 7.9868167e-05 0 1391 200 9.7101416e-12 8.0609509e-12 1.6491907e-12 - 46046 0.0061979294 1591 8.0767964e-05 0 1391 200 9.7101416e-12 8.0609509e-12 1.6491907e-12 - 47047 0.18745208 1591 8.2432669e-05 0 1391 200 9.7101416e-12 8.0609509e-12 1.6491907e-12 - 48024 0.33344698 1591 8.3440593e-05 0 1391 200 9.7101416e-12 8.0609509e-12 1.6491907e-12 -Loop time of 0.333468 on 4 procs for 2000 steps with 1591 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 48024 0 1591 8.3440593e-05 0 1391 200 9.7101416e-12 8.0609509e-12 1.6491907e-12 -number of iterations: 5000 -maxz = 9.681751e-05 -S-sub-bulk = 1.023332e-02 -S-sub-base = 9.012229e-03 -S-nh4-bulk = 3.102349e-04 -S-nh4-base = 2.246175e-04 - - 48025 0.36865187 1660 8.3341625e-05 0 1460 200 1.0219218e-11 8.5627891e-12 1.6564292e-12 -Loop time of 0.368668 on 4 procs for 1 steps with 1660 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 48025 0 1660 8.3341625e-05 0 1460 200 1.0219218e-11 8.5627891e-12 1.6564292e-12 - 48048 0.0067601204 1660 8.4350552e-05 0 1460 200 1.0219218e-11 8.5627891e-12 1.6564292e-12 - 49049 0.1998601 1660 8.6329738e-05 0 1460 200 1.0219218e-11 8.5627891e-12 1.6564292e-12 - 50025 0.36146617 1660 8.7144723e-05 0 1460 200 1.0219218e-11 8.5627891e-12 1.6564292e-12 -Loop time of 0.361486 on 4 procs for 2000 steps with 1660 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 50025 0 1660 8.7144723e-05 0 1460 200 1.0219218e-11 8.5627891e-12 1.6564292e-12 -number of iterations: 5000 -maxz = 1.001354e-04 -S-sub-bulk = 9.443153e-03 -S-sub-base = 8.082465e-03 -S-nh4-bulk = 3.061444e-04 -S-nh4-base = 2.306920e-04 - - 50026 0.37077498 1735 8.7379282e-05 0 1526 209 1.074264e-11 9.0786386e-12 1.6640012e-12 -Loop time of 0.370791 on 4 procs for 1 steps with 1735 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 50026 0 1735 8.7379282e-05 0 1526 209 1.074264e-11 9.0786386e-12 1.6640012e-12 - 50050 0.0078611374 1735 8.8116851e-05 0 1526 209 1.074264e-11 9.0786386e-12 1.6640012e-12 - 51051 0.21578217 1735 8.9989042e-05 0 1526 209 1.074264e-11 9.0786386e-12 1.6640012e-12 - 52026 0.38989115 1735 9.0748357e-05 0 1526 209 1.074264e-11 9.0786386e-12 1.6640012e-12 -Loop time of 0.38991 on 4 procs for 2000 steps with 1735 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 52026 0 1735 9.0748357e-05 0 1526 209 1.074264e-11 9.0786386e-12 1.6640012e-12 -number of iterations: 5000 -maxz = 1.018460e-04 -S-sub-bulk = 8.761452e-03 -S-sub-base = 7.083019e-03 -S-nh4-bulk = 3.134327e-04 -S-nh4-base = 2.200590e-04 - - 52027 0.40061712 1821 9.1076602e-05 0 1587 234 1.1271939e-11 9.6007525e-12 1.6711864e-12 -Loop time of 0.400634 on 4 procs for 1 steps with 1821 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 52027 0 1821 9.1076602e-05 0 1587 234 1.1271939e-11 9.6007525e-12 1.6711864e-12 - 52052 0.0083699226 1821 9.2107855e-05 0 1587 234 1.1271939e-11 9.6007525e-12 1.6711864e-12 - 53053 0.2352879 1821 9.4256219e-05 0 1587 234 1.1271939e-11 9.6007525e-12 1.6711864e-12 - 54027 0.41873503 1821 9.5030861e-05 0 1587 234 1.1271939e-11 9.6007525e-12 1.6711864e-12 -Loop time of 0.418755 on 4 procs for 2000 steps with 1821 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 54027 0 1821 9.5030861e-05 0 1587 234 1.1271939e-11 9.6007525e-12 1.6711864e-12 -number of iterations: 5000 -maxz = 1.066666e-04 -S-sub-bulk = 8.142054e-03 -S-sub-base = 6.281718e-03 -S-nh4-bulk = 3.101957e-04 -S-nh4-base = 2.246221e-04 - - 54028 0.40386891 1912 9.5182779e-05 0 1640 272 1.1809376e-11 1.0130713e-11 1.6786634e-12 -Loop time of 0.403886 on 4 procs for 1 steps with 1912 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 54028 0 1912 9.5182779e-05 0 1640 272 1.1809376e-11 1.0130713e-11 1.6786634e-12 - 54054 0.0088789463 1912 9.6393273e-05 0 1640 272 1.1809376e-11 1.0130713e-11 1.6786634e-12 - 55055 0.24306512 1912 9.7822903e-05 0 1640 272 1.1809376e-11 1.0130713e-11 1.6786634e-12 - 56028 0.44355011 1912 9.8316908e-05 0 1640 272 1.1809376e-11 1.0130713e-11 1.6786634e-12 -Loop time of 0.443569 on 4 procs for 2000 steps with 1912 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 56028 0 1912 9.8316908e-05 0 1640 272 1.1809376e-11 1.0130713e-11 1.6786634e-12 -number of iterations: 5000 -maxz = 1.100949e-04 -S-sub-bulk = 7.573694e-03 -S-sub-base = 5.622956e-03 -S-nh4-bulk = 3.062002e-04 -S-nh4-base = 2.241436e-04 - - 56029 0.40116596 2019 9.8425577e-05 0 1713 306 1.2354145e-11 1.0667964e-11 1.6861804e-12 -Loop time of 0.40118 on 4 procs for 1 steps with 2019 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 56029 0 2019 9.8425577e-05 0 1713 306 1.2354145e-11 1.0667964e-11 1.6861804e-12 - 56056 0.010291815 2019 9.9588222e-05 0 1713 306 1.2354145e-11 1.0667964e-11 1.6861804e-12 - 57057 0.26136494 2019 0.00010111361 0 1713 306 1.2354145e-11 1.0667964e-11 1.6861804e-12 - 58029 0.47428083 2019 0.00010161953 0 1713 306 1.2354145e-11 1.0667964e-11 1.6861804e-12 -Loop time of 0.4743 on 4 procs for 2000 steps with 2019 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 58029 0 2019 0.00010161953 0 1713 306 1.2354145e-11 1.0667964e-11 1.6861804e-12 -number of iterations: 5000 -maxz = 1.126020e-04 -S-sub-bulk = 7.180494e-03 -S-sub-base = 4.866740e-03 -S-nh4-bulk = 3.139876e-04 -S-nh4-base = 2.134603e-04 - - 58030 0.43306088 2118 0.00010177511 0 1780 338 1.2892758e-11 1.1199463e-11 1.6932954e-12 -Loop time of 0.433078 on 4 procs for 1 steps with 2118 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 58030 0 2118 0.00010177511 0 1780 338 1.2892758e-11 1.1199463e-11 1.6932954e-12 - 58058 0.011234045 2118 0.00010263435 0 1780 338 1.2892758e-11 1.1199463e-11 1.6932954e-12 - 59059 0.28678012 2118 0.00010436188 0 1780 338 1.2892758e-11 1.1199463e-11 1.6932954e-12 - 60030 0.51806998 2118 0.00010502656 0 1780 338 1.2892758e-11 1.1199463e-11 1.6932954e-12 -Loop time of 0.51809 on 4 procs for 2000 steps with 2118 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 60030 0 2118 0.00010502656 0 1780 338 1.2892758e-11 1.1199463e-11 1.6932954e-12 -number of iterations: 5000 -maxz = 1.190782e-04 -S-sub-bulk = 6.830000e-03 -S-sub-base = 4.333481e-03 -S-nh4-bulk = 3.116078e-04 -S-nh4-base = 2.174855e-04 - - 60031 0.43401814 2259 0.00010528115 0 1871 388 1.3434028e-11 1.1733343e-11 1.7006846e-12 -Loop time of 0.434033 on 4 procs for 1 steps with 2259 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 60031 0 2259 0.00010528115 0 1871 388 1.3434028e-11 1.1733343e-11 1.7006846e-12 - 60060 0.012338877 2259 0.0001059814 0 1871 388 1.3434028e-11 1.1733343e-11 1.7006846e-12 - 61061 0.32048392 2259 0.00010763377 0 1871 388 1.3434028e-11 1.1733343e-11 1.7006846e-12 - 62031 0.57119393 2259 0.00010812905 0 1871 388 1.3434028e-11 1.1733343e-11 1.7006846e-12 -Loop time of 0.571214 on 4 procs for 2000 steps with 2259 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 62031 0 2259 0.00010812905 0 1871 388 1.3434028e-11 1.1733343e-11 1.7006846e-12 -number of iterations: 5000 -maxz = 1.216427e-04 -S-sub-bulk = 6.481044e-03 -S-sub-base = 3.950059e-03 -S-nh4-bulk = 3.074777e-04 -S-nh4-base = 2.179502e-04 - - 62032 0.4345789 2385 0.00010840189 0 1985 400 1.3980546e-11 1.2272405e-11 1.7081415e-12 -Loop time of 0.434595 on 4 procs for 1 steps with 2385 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 62032 0 2385 0.00010840189 0 1985 400 1.3980546e-11 1.2272405e-11 1.7081415e-12 - 62062 0.014410973 2385 0.00010957814 0 1985 400 1.3980546e-11 1.2272405e-11 1.7081415e-12 - 63063 0.34505701 2385 0.00011123602 0 1985 400 1.3980546e-11 1.2272405e-11 1.7081415e-12 - 64032 0.60633612 2385 0.00011179361 0 1985 400 1.3980546e-11 1.2272405e-11 1.7081415e-12 -Loop time of 0.606357 on 4 procs for 2000 steps with 2385 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 64032 0 2385 0.00011179361 0 1985 400 1.3980546e-11 1.2272405e-11 1.7081415e-12 -number of iterations: 5000 -maxz = 1.246073e-04 -S-sub-bulk = 6.313945e-03 -S-sub-base = 3.456200e-03 -S-nh4-bulk = 3.143655e-04 -S-nh4-base = 2.086884e-04 - - 64033 0.46361685 2508 0.00011222756 0 2108 400 1.4514777e-11 1.2799552e-11 1.7152252e-12 -Loop time of 0.463635 on 4 procs for 1 steps with 2508 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 64033 0 2508 0.00011222756 0 2108 400 1.4514777e-11 1.2799552e-11 1.7152252e-12 - 64064 0.015911102 2508 0.00011319943 0 2108 400 1.4514777e-11 1.2799552e-11 1.7152252e-12 - 65065 0.35340905 2508 0.00011502061 0 2108 400 1.4514777e-11 1.2799552e-11 1.7152252e-12 - 66033 0.62138605 2508 0.00011517243 0 2108 400 1.4514777e-11 1.2799552e-11 1.7152252e-12 -Loop time of 0.621407 on 4 procs for 2000 steps with 2508 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 66033 0 2508 0.00011517243 0 2108 400 1.4514777e-11 1.2799552e-11 1.7152252e-12 -number of iterations: 5000 -maxz = 1.273361e-04 -S-sub-bulk = 6.128443e-03 -S-sub-base = 3.137074e-03 -S-nh4-bulk = 3.130299e-04 -S-nh4-base = 2.110617e-04 - - 66034 0.46722293 2623 0.00011537953 0 2223 400 1.5051721e-11 1.3329199e-11 1.7225219e-12 -Loop time of 0.467237 on 4 procs for 1 steps with 2623 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 66034 0 2623 0.00011537953 0 2223 400 1.5051721e-11 1.3329199e-11 1.7225219e-12 - 66066 0.01658392 2623 0.00011648831 0 2223 400 1.5051721e-11 1.3329199e-11 1.7225219e-12 - 67067 0.38652992 2623 0.00011871711 0 2223 400 1.5051721e-11 1.3329199e-11 1.7225219e-12 - 68034 0.68953395 2623 0.0001194416 0 2223 400 1.5051721e-11 1.3329199e-11 1.7225219e-12 -Loop time of 0.689555 on 4 procs for 2000 steps with 2623 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 68034 0 2623 0.0001194416 0 2223 400 1.5051721e-11 1.3329199e-11 1.7225219e-12 -number of iterations: 4560 -maxz = 1.312239e-04 -S-sub-bulk = 5.851937e-03 -S-sub-base = 2.947840e-03 -S-nh4-bulk = 3.082814e-04 -S-nh4-base = 2.121292e-04 - - 68035 0.42531085 2735 0.00011970807 0 2335 400 1.5598586e-11 1.386865e-11 1.7299363e-12 -Loop time of 0.425329 on 4 procs for 1 steps with 2735 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 68035 0 2735 0.00011970807 0 2335 400 1.5598586e-11 1.386865e-11 1.7299363e-12 - 68068 0.0185709 2735 0.00012074906 0 2335 400 1.5598586e-11 1.386865e-11 1.7299363e-12 - 69069 0.40340805 2735 0.00012254623 0 2335 400 1.5598586e-11 1.386865e-11 1.7299363e-12 - 70035 0.71725988 2735 0.00012347607 0 2335 400 1.5598586e-11 1.386865e-11 1.7299363e-12 -Loop time of 0.717279 on 4 procs for 2000 steps with 2735 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 70035 0 2735 0.00012347607 0 2335 400 1.5598586e-11 1.386865e-11 1.7299363e-12 -number of iterations: 5000 -maxz = 1.359776e-04 -S-sub-bulk = 5.794150e-03 -S-sub-base = 2.601617e-03 -S-nh4-bulk = 3.139022e-04 -S-nh4-base = 2.037162e-04 - - 70036 0.49875998 2852 0.00012367534 0 2452 400 1.6127886e-11 1.4390879e-11 1.7370067e-12 -Loop time of 0.498777 on 4 procs for 1 steps with 2852 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 70036 0 2852 0.00012367534 0 2452 400 1.6127886e-11 1.4390879e-11 1.7370067e-12 - 70070 0.019314051 2852 0.00012455332 0 2452 400 1.6127886e-11 1.4390879e-11 1.7370067e-12 - 71071 0.41025686 2852 0.00012635144 0 2452 400 1.6127886e-11 1.4390879e-11 1.7370067e-12 - 72036 0.73051691 2852 0.00012670281 0 2452 400 1.6127886e-11 1.4390879e-11 1.7370067e-12 -Loop time of 0.730536 on 4 procs for 2000 steps with 2852 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 72036 0 2852 0.00012670281 0 2452 400 1.6127886e-11 1.4390879e-11 1.7370067e-12 -number of iterations: 5000 -maxz = 1.384361e-04 -S-sub-bulk = 5.679455e-03 -S-sub-base = 2.384193e-03 -S-nh4-bulk = 3.134163e-04 -S-nh4-base = 2.046003e-04 - - 72037 0.5035429 2970 0.00012682747 0 2570 400 1.6660757e-11 1.4916531e-11 1.7442261e-12 -Loop time of 0.503558 on 4 procs for 1 steps with 2970 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 72037 0 2970 0.00012682747 0 2570 400 1.6660757e-11 1.4916531e-11 1.7442261e-12 - 72072 0.020915031 2970 0.00012802219 0 2570 400 1.6660757e-11 1.4916531e-11 1.7442261e-12 - 73073 0.43470097 2970 0.00012996534 0 2570 400 1.6660757e-11 1.4916531e-11 1.7442261e-12 - 74037 0.7856009 2970 0.0001305302 0 2570 400 1.6660757e-11 1.4916531e-11 1.7442261e-12 -Loop time of 0.785621 on 4 procs for 2000 steps with 2970 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 74037 0 2970 0.0001305302 0 2570 400 1.6660757e-11 1.4916531e-11 1.7442261e-12 -number of iterations: 3783 -maxz = 1.465060e-04 -S-sub-bulk = 5.442406e-03 -S-sub-base = 2.279431e-03 -S-nh4-bulk = 3.093309e-04 -S-nh4-base = 2.055713e-04 - - 74038 0.38550901 3069 0.00013066739 0 2669 400 1.7204757e-11 1.5453195e-11 1.7515621e-12 -Loop time of 0.385523 on 4 procs for 1 steps with 3069 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 74038 0 3069 0.00013066739 0 2669 400 1.7204757e-11 1.5453195e-11 1.7515621e-12 - 74074 0.022864103 3069 0.00013187123 0 2669 400 1.7204757e-11 1.5453195e-11 1.7515621e-12 - 75075 0.46268106 3069 0.00013312156 0 2669 400 1.7204757e-11 1.5453195e-11 1.7515621e-12 - 76038 0.81657815 3069 0.00013347949 0 2669 400 1.7204757e-11 1.5453195e-11 1.7515621e-12 -Loop time of 0.816599 on 4 procs for 2000 steps with 3069 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 76038 0 3069 0.00013347949 0 2669 400 1.7204757e-11 1.5453195e-11 1.7515621e-12 -number of iterations: 5000 -maxz = 1.480664e-04 -S-sub-bulk = 5.484446e-03 -S-sub-base = 2.010329e-03 -S-nh4-bulk = 3.151391e-04 -S-nh4-base = 1.981374e-04 - - 76039 0.53241897 3158 0.00013372902 0 2758 400 1.7724527e-11 1.5965962e-11 1.7585651e-12 -Loop time of 0.532436 on 4 procs for 1 steps with 3158 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 76039 0 3158 0.00013372902 0 2758 400 1.7724527e-11 1.5965962e-11 1.7585651e-12 - 76076 0.024503946 3158 0.00013487484 0 2758 400 1.7724527e-11 1.5965962e-11 1.7585651e-12 - 77077 0.48350596 3158 0.00013678528 0 2758 400 1.7724527e-11 1.5965962e-11 1.7585651e-12 - 78039 0.86687112 3158 0.00013764995 0 2758 400 1.7724527e-11 1.5965962e-11 1.7585651e-12 -Loop time of 0.866891 on 4 procs for 2000 steps with 3158 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 78039 0 3158 0.00013764995 0 2758 400 1.7724527e-11 1.5965962e-11 1.7585651e-12 -number of iterations: 4303 -maxz = 1.500267e-04 -S-sub-bulk = 5.393780e-03 -S-sub-base = 1.871847e-03 -S-nh4-bulk = 3.142027e-04 -S-nh4-base = 1.986555e-04 - - 78040 0.46088099 3239 0.00013782639 0 2839 400 1.8252602e-11 1.6486864e-11 1.7657383e-12 -Loop time of 0.460898 on 4 procs for 1 steps with 3239 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 78040 0 3239 0.00013782639 0 2839 400 1.8252602e-11 1.6486864e-11 1.7657383e-12 - 78078 0.025890112 3239 0.0001385992 0 2839 400 1.8252602e-11 1.6486864e-11 1.7657383e-12 - 79079 0.48541999 3239 0.00014012545 0 2839 400 1.8252602e-11 1.6486864e-11 1.7657383e-12 - 80040 0.87547112 3239 0.00014057477 0 2839 400 1.8252602e-11 1.6486864e-11 1.7657383e-12 -Loop time of 0.875491 on 4 procs for 2000 steps with 3239 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 80040 0 3239 0.00014057477 0 2839 400 1.8252602e-11 1.6486864e-11 1.7657383e-12 -number of iterations: 3313 -maxz = 1.515359e-04 -S-sub-bulk = 5.174154e-03 -S-sub-base = 1.804743e-03 -S-nh4-bulk = 3.109714e-04 -S-nh4-base = 1.992372e-04 - - 80041 0.3597672 3321 0.00014075298 0 2921 400 1.8791817e-11 1.7018831e-11 1.7729858e-12 -Loop time of 0.359781 on 4 procs for 1 steps with 3321 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 80041 0 3321 0.00014075298 0 2921 400 1.8791817e-11 1.7018831e-11 1.7729858e-12 - 80080 0.027719975 3321 0.0001417204 0 2921 400 1.8791817e-11 1.7018831e-11 1.7729858e-12 - 81081 0.503685 3321 0.00014290364 0 2921 400 1.8791817e-11 1.7018831e-11 1.7729858e-12 - 82041 0.89850187 3321 0.00014354006 0 2921 400 1.8791817e-11 1.7018831e-11 1.7729858e-12 -Loop time of 0.898522 on 4 procs for 2000 steps with 3321 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 82041 0 3321 0.00014354006 0 2921 400 1.8791817e-11 1.7018831e-11 1.7729858e-12 -number of iterations: 5000 -maxz = 1.526581e-04 -S-sub-bulk = 5.296612e-03 -S-sub-base = 1.589706e-03 -S-nh4-bulk = 3.168078e-04 -S-nh4-base = 1.928393e-04 - - 82042 0.56367517 3392 0.00014360241 0 2992 400 1.9300463e-11 1.7520541e-11 1.7799221e-12 -Loop time of 0.563694 on 4 procs for 1 steps with 3392 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 82042 0 3392 0.00014360241 0 2992 400 1.9300463e-11 1.7520541e-11 1.7799221e-12 - 82082 0.029700994 3392 0.00014469491 0 2992 400 1.9300463e-11 1.7520541e-11 1.7799221e-12 - 83083 0.52306604 3392 0.00014600855 0 2992 400 1.9300463e-11 1.7520541e-11 1.7799221e-12 - 84042 0.93373013 3392 0.00014671109 0 2992 400 1.9300463e-11 1.7520541e-11 1.7799221e-12 -Loop time of 0.93375 on 4 procs for 2000 steps with 3392 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 84042 0 3392 0.00014671109 0 2992 400 1.9300463e-11 1.7520541e-11 1.7799221e-12 -number of iterations: 3558 -maxz = 1.548965e-04 -S-sub-bulk = 5.249602e-03 -S-sub-base = 1.489474e-03 -S-nh4-bulk = 3.171771e-04 -S-nh4-base = 1.925040e-04 - - 84043 0.4061439 3467 0.00014695321 0 3067 400 1.9818896e-11 1.8031913e-11 1.7869826e-12 -Loop time of 0.406161 on 4 procs for 1 steps with 3467 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 84043 0 3467 0.00014695321 0 3067 400 1.9818896e-11 1.8031913e-11 1.7869826e-12 - 84084 0.029994965 3467 0.00014792783 0 3067 400 1.9818896e-11 1.8031913e-11 1.7869826e-12 - 85085 0.52519393 3467 0.00014955211 0 3067 400 1.9818896e-11 1.8031913e-11 1.7869826e-12 - 86043 0.95345592 3467 0.00015022456 0 3067 400 1.9818896e-11 1.8031913e-11 1.7869826e-12 -Loop time of 0.953477 on 4 procs for 2000 steps with 3467 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 86043 0 3467 0.00015022456 0 3067 400 1.9818896e-11 1.8031913e-11 1.7869826e-12 -number of iterations: 997 -maxz = 1.583939e-04 -S-sub-bulk = 4.986799e-03 -S-sub-base = 1.474543e-03 -S-nh4-bulk = 3.147496e-04 -S-nh4-base = 1.927761e-04 - - 86044 0.12320995 3537 0.00015040975 0 3137 400 2.0355644e-11 1.856152e-11 1.7941233e-12 -Loop time of 0.123223 on 4 procs for 1 steps with 3537 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 86044 0 3537 0.00015040975 0 3137 400 2.0355644e-11 1.856152e-11 1.7941233e-12 - 86086 0.032996893 3537 0.00015149474 0 3137 400 2.0355644e-11 1.856152e-11 1.7941233e-12 - 87087 0.5554769 3537 0.00015320317 0 3137 400 2.0355644e-11 1.856152e-11 1.7941233e-12 - 88044 0.99428892 3537 0.00015389246 0 3137 400 2.0355644e-11 1.856152e-11 1.7941233e-12 -Loop time of 0.994309 on 4 procs for 2000 steps with 3537 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 88044 0 3537 0.00015389246 0 3137 400 2.0355644e-11 1.856152e-11 1.7941233e-12 -number of iterations: 5000 -maxz = 1.641976e-04 -S-sub-bulk = 4.830525e-03 -S-sub-base = 1.360998e-03 -S-nh4-bulk = 3.105722e-04 -S-nh4-base = 1.932972e-04 - - 88045 0.57585502 3628 0.00015403733 0 3228 400 2.0885542e-11 1.9084209e-11 1.8013327e-12 -Loop time of 0.575869 on 4 procs for 1 steps with 3628 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 88045 0 3628 0.00015403733 0 3228 400 2.0885542e-11 1.9084209e-11 1.8013327e-12 - 88088 0.034224987 3628 0.00015505197 0 3228 400 2.0885542e-11 1.9084209e-11 1.8013327e-12 - 89089 0.56842589 3628 0.0001567144 0 3228 400 2.0885542e-11 1.9084209e-11 1.8013327e-12 - 90045 1.0349209 3628 0.00015734597 0 3228 400 2.0885542e-11 1.9084209e-11 1.8013327e-12 -Loop time of 1.03494 on 4 procs for 2000 steps with 3628 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 90045 0 3628 0.00015734597 0 3228 400 2.0885542e-11 1.9084209e-11 1.8013327e-12 -number of iterations: 5000 -maxz = 1.667832e-04 -S-sub-bulk = 5.032878e-03 -S-sub-base = 1.194601e-03 -S-nh4-bulk = 3.158568e-04 -S-nh4-base = 1.871088e-04 - - 90046 0.59854603 3704 0.00015749775 0 3304 400 2.138177e-11 1.9573544e-11 1.8082257e-12 -Loop time of 0.598563 on 4 procs for 1 steps with 3704 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 90046 0 3704 0.00015749775 0 3304 400 2.138177e-11 1.9573544e-11 1.8082257e-12 - 90090 0.035457134 3704 0.00015866352 0 3304 400 2.138177e-11 1.9573544e-11 1.8082257e-12 - 91091 0.58400297 3704 0.00016030805 0 3304 400 2.138177e-11 1.9573544e-11 1.8082257e-12 - 92046 1.0369091 3704 0.00016087373 0 3304 400 2.138177e-11 1.9573544e-11 1.8082257e-12 -Loop time of 1.03693 on 4 procs for 2000 steps with 3704 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 92046 0 3704 0.00016087373 0 3304 400 2.138177e-11 1.9573544e-11 1.8082257e-12 -number of iterations: 2629 -maxz = 1.708759e-04 -S-sub-bulk = 4.969265e-03 -S-sub-base = 1.135345e-03 -S-nh4-bulk = 3.165319e-04 -S-nh4-base = 1.859931e-04 - - 92047 0.32303286 3784 0.00016108742 0 3384 400 2.1894948e-11 2.007973e-11 1.8152174e-12 -Loop time of 0.323046 on 4 procs for 1 steps with 3784 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 92047 0 3784 0.00016108742 0 3384 400 2.1894948e-11 2.007973e-11 1.8152174e-12 - 92092 0.038504124 3784 0.00016228719 0 3384 400 2.1894948e-11 2.007973e-11 1.8152174e-12 - 93093 0.57773018 3784 0.00016358829 0 3384 400 2.1894948e-11 2.007973e-11 1.8152174e-12 - 94047 1.038378 3784 0.00016402549 0 3384 400 2.1894948e-11 2.007973e-11 1.8152174e-12 -Loop time of 1.0384 on 4 procs for 2000 steps with 3784 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 94047 0 3784 0.00016402549 0 3384 400 2.1894948e-11 2.007973e-11 1.8152174e-12 -number of iterations: 5000 -maxz = 1.739345e-04 -S-sub-bulk = 5.139517e-03 -S-sub-base = 1.035101e-03 -S-nh4-bulk = 3.223023e-04 -S-nh4-base = 1.822314e-04 - - 94048 0.63169479 3862 0.0001640531 0 3462 400 2.238414e-11 2.0562135e-11 1.8220043e-12 -Loop time of 0.631709 on 4 procs for 1 steps with 3862 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 94048 0 3862 0.0001640531 0 3462 400 2.238414e-11 2.0562135e-11 1.8220043e-12 - 94094 0.039546013 3862 0.0001652727 0 3462 400 2.238414e-11 2.0562135e-11 1.8220043e-12 - 95095 0.60853291 3862 0.00016654115 0 3462 400 2.238414e-11 2.0562135e-11 1.8220043e-12 - 96048 1.084754 3862 0.0001670838 0 3462 400 2.238414e-11 2.0562135e-11 1.8220043e-12 -Loop time of 1.08477 on 4 procs for 2000 steps with 3862 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 96048 0 3862 0.0001670838 0 3462 400 2.238414e-11 2.0562135e-11 1.8220043e-12 -number of iterations: 2492 -maxz = 1.768460e-04 -S-sub-bulk = 5.063063e-03 -S-sub-base = 9.921713e-04 -S-nh4-bulk = 3.232834e-04 -S-nh4-base = 1.816643e-04 - - 96049 0.32273316 3945 0.00016727881 0 3545 400 2.2889318e-11 2.1060426e-11 1.8288922e-12 -Loop time of 0.322748 on 4 procs for 1 steps with 3945 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 96049 0 3945 0.00016727881 0 3545 400 2.2889318e-11 2.1060426e-11 1.8288922e-12 - 96096 0.040140152 3945 0.00016822425 0 3545 400 2.2889318e-11 2.1060426e-11 1.8288922e-12 - 97097 0.63917017 3945 0.00016977173 0 3545 400 2.2889318e-11 2.1060426e-11 1.8288922e-12 - 98049 1.1113651 3945 0.00017011565 0 3545 400 2.2889318e-11 2.1060426e-11 1.8288922e-12 -Loop time of 1.11139 on 4 procs for 2000 steps with 3945 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 98049 0 3945 0.00017011565 0 3545 400 2.2889318e-11 2.1060426e-11 1.8288922e-12 -number of iterations: 837 -maxz = 1.805122e-04 -S-sub-bulk = 4.788714e-03 -S-sub-base = 9.847521e-04 -S-nh4-bulk = 3.211877e-04 -S-nh4-base = 1.818893e-04 - - 98050 0.11486006 4025 0.00017031372 0 3625 400 2.3411953e-11 2.1576088e-11 1.8358648e-12 -Loop time of 0.114876 on 4 procs for 1 steps with 4025 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 98050 0 4025 0.00017031372 0 3625 400 2.3411953e-11 2.1576088e-11 1.8358648e-12 - 98098 0.043516874 4025 0.00017184276 0 3625 400 2.3411953e-11 2.1576088e-11 1.8358648e-12 - 99099 0.61395693 4025 0.00017320555 0 3625 400 2.3411953e-11 2.1576088e-11 1.8358648e-12 - 100050 1.10619 4025 0.00017355762 0 3625 400 2.3411953e-11 2.1576088e-11 1.8358648e-12 -Loop time of 1.10621 on 4 procs for 2000 steps with 4025 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 100050 0 4025 0.00017355762 0 3625 400 2.3411953e-11 2.1576088e-11 1.8358648e-12 -number of iterations: 5000 -maxz = 1.835301e-04 -S-sub-bulk = 5.028655e-03 -S-sub-base = 8.699146e-04 -S-nh4-bulk = 3.243075e-04 -S-nh4-base = 1.789411e-04 - - 100051 0.66251612 4100 0.0001737686 0 3700 400 2.3889362e-11 2.2046707e-11 1.8426548e-12 -Loop time of 0.662529 on 4 procs for 1 steps with 4100 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 100051 0 4100 0.0001737686 0 3700 400 2.3889362e-11 2.2046707e-11 1.8426548e-12 - 100100 0.044604063 4100 0.00017490996 0 3700 400 2.3889362e-11 2.2046707e-11 1.8426548e-12 - 101101 0.655092 4100 0.00017662648 0 3700 400 2.3889362e-11 2.2046707e-11 1.8426548e-12 - 102051 1.165446 4100 0.0001772412 0 3700 400 2.3889362e-11 2.2046707e-11 1.8426548e-12 -Loop time of 1.16547 on 4 procs for 2000 steps with 4100 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 102051 0 4100 0.0001772412 0 3700 400 2.3889362e-11 2.2046707e-11 1.8426548e-12 -number of iterations: 3286 -maxz = 1.859862e-04 -S-sub-bulk = 5.026159e-03 -S-sub-base = 8.083808e-04 -S-nh4-bulk = 3.245119e-04 -S-nh4-base = 1.777068e-04 - - 102052 0.44417906 4184 0.00017732716 0 3784 400 2.4380638e-11 2.2531134e-11 1.8495037e-12 -Loop time of 0.444196 on 4 procs for 1 steps with 4184 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 102052 0 4184 0.00017732716 0 3784 400 2.4380638e-11 2.2531134e-11 1.8495037e-12 - 102102 0.044601917 4184 0.00017852223 0 3784 400 2.4380638e-11 2.2531134e-11 1.8495037e-12 - 103103 0.65868592 4184 0.00018023357 0 3784 400 2.4380638e-11 2.2531134e-11 1.8495037e-12 - 104052 1.1700671 4184 0.00018075986 0 3784 400 2.4380638e-11 2.2531134e-11 1.8495037e-12 -Loop time of 1.17009 on 4 procs for 2000 steps with 4184 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 104052 0 4184 0.00018075986 0 3784 400 2.4380638e-11 2.2531134e-11 1.8495037e-12 -number of iterations: 383 -maxz = 1.930147e-04 -S-sub-bulk = 4.790783e-03 -S-sub-base = 8.053953e-04 -S-nh4-bulk = 3.226257e-04 -S-nh4-base = 1.776888e-04 - - 104053 0.055761814 4265 0.00018088072 0 3865 400 2.4890877e-11 2.3034467e-11 1.8564093e-12 -Loop time of 0.0557895 on 4 procs for 1 steps with 4265 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 104053 0 4265 0.00018088072 0 3865 400 2.4890877e-11 2.3034467e-11 1.8564093e-12 - 104104 0.049088955 4265 0.00018203304 0 3865 400 2.4890877e-11 2.3034467e-11 1.8564093e-12 - 105105 0.68144894 4265 0.00018329706 0 3865 400 2.4890877e-11 2.3034467e-11 1.8564093e-12 - 106053 1.1809099 4265 0.00018354461 0 3865 400 2.4890877e-11 2.3034467e-11 1.8564093e-12 -Loop time of 1.18093 on 4 procs for 2000 steps with 4265 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 106053 0 4265 0.00018354461 0 3865 400 2.4890877e-11 2.3034467e-11 1.8564093e-12 -number of iterations: 5000 -maxz = 1.947361e-04 -S-sub-bulk = 5.018747e-03 -S-sub-base = 7.240678e-04 -S-nh4-bulk = 3.270168e-04 -S-nh4-base = 1.739956e-04 - - 106054 0.69689798 4355 0.00018368511 0 3955 400 2.5359767e-11 2.3496675e-11 1.8630922e-12 -Loop time of 0.696914 on 4 procs for 1 steps with 4355 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 106054 0 4355 0.00018368511 0 3955 400 2.5359767e-11 2.3496675e-11 1.8630922e-12 - 106106 0.049201965 4355 0.00018488707 0 3955 400 2.5359767e-11 2.3496675e-11 1.8630922e-12 - 107107 0.71161485 4355 0.00018658219 0 3955 400 2.5359767e-11 2.3496675e-11 1.8630922e-12 - 108054 1.251447 4355 0.00018725334 0 3955 400 2.5359767e-11 2.3496675e-11 1.8630922e-12 -Loop time of 1.25147 on 4 procs for 2000 steps with 4355 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 108054 0 4355 0.00018725334 0 3955 400 2.5359767e-11 2.3496675e-11 1.8630922e-12 -number of iterations: 3265 -maxz = 1.981248e-04 -S-sub-bulk = 4.992351e-03 -S-sub-base = 6.758764e-04 -S-nh4-bulk = 3.281066e-04 -S-nh4-base = 1.725388e-04 - - 108055 0.45853496 4451 0.00018742833 0 4051 400 2.5844008e-11 2.3974172e-11 1.869836e-12 -Loop time of 0.45855 on 4 procs for 1 steps with 4451 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 108055 0 4451 0.00018742833 0 4051 400 2.5844008e-11 2.3974172e-11 1.869836e-12 - 108108 0.051347971 4451 0.0001887465 0 4051 400 2.5844008e-11 2.3974172e-11 1.869836e-12 - 109109 0.72034407 4451 0.00019021194 0 4051 400 2.5844008e-11 2.3974172e-11 1.869836e-12 - 110055 1.2845759 4451 0.0001910664 0 4051 400 2.5844008e-11 2.3974172e-11 1.869836e-12 -Loop time of 1.2846 on 4 procs for 2000 steps with 4451 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 110055 0 4451 0.0001910664 0 4051 400 2.5844008e-11 2.3974172e-11 1.869836e-12 -number of iterations: 358 -maxz = 2.003042e-04 -S-sub-bulk = 4.736254e-03 -S-sub-base = 6.735755e-04 -S-nh4-bulk = 3.265498e-04 -S-nh4-base = 1.724487e-04 - - 110056 0.057294846 4541 0.00019116683 0 4141 400 2.634757e-11 2.4470922e-11 1.8766484e-12 -Loop time of 0.05731 on 4 procs for 1 steps with 4541 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 110056 0 4541 0.00019116683 0 4141 400 2.634757e-11 2.4470922e-11 1.8766484e-12 - 110110 0.054955959 4541 0.00019227355 0 4141 400 2.634757e-11 2.4470922e-11 1.8766484e-12 - 111111 0.70323801 4541 0.00019351874 0 4141 400 2.634757e-11 2.4470922e-11 1.8766484e-12 - 112056 1.261143 4541 0.00019406415 0 4141 400 2.634757e-11 2.4470922e-11 1.8766484e-12 -Loop time of 1.26116 on 4 procs for 2000 steps with 4541 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 112056 0 4541 0.00019406415 0 4141 400 2.634757e-11 2.4470922e-11 1.8766484e-12 -number of iterations: 5000 -maxz = 2.031381e-04 -S-sub-bulk = 4.971207e-03 -S-sub-base = 6.090667e-04 -S-nh4-bulk = 3.301447e-04 -S-nh4-base = 1.695283e-04 - - 112057 0.72706008 4605 0.00019410775 0 4205 400 2.6807767e-11 2.4924491e-11 1.8832755e-12 -Loop time of 0.727079 on 4 procs for 1 steps with 4605 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 112057 0 4605 0.00019410775 0 4205 400 2.6807767e-11 2.4924491e-11 1.8832755e-12 - 112112 0.055158138 4605 0.00019525754 0 4205 400 2.6807767e-11 2.4924491e-11 1.8832755e-12 - 113113 0.75271201 4605 0.00019648682 0 4205 400 2.6807767e-11 2.4924491e-11 1.8832755e-12 - 114057 1.311151 4605 0.00019708368 0 4205 400 2.6807767e-11 2.4924491e-11 1.8832755e-12 -Loop time of 1.31117 on 4 procs for 2000 steps with 4605 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 114057 0 4605 0.00019708368 0 4205 400 2.6807767e-11 2.4924491e-11 1.8832755e-12 -number of iterations: 3614 -maxz = 2.080499e-04 -S-sub-bulk = 4.973867e-03 -S-sub-base = 5.624530e-04 -S-nh4-bulk = 3.314639e-04 -S-nh4-base = 1.679760e-04 - - 114058 0.53286409 4674 0.00019716392 0 4274 400 2.7281082e-11 2.5391148e-11 1.8899345e-12 -Loop time of 0.532881 on 4 procs for 1 steps with 4674 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 114058 0 4674 0.00019716392 0 4274 400 2.7281082e-11 2.5391148e-11 1.8899345e-12 - 114114 0.056738853 4674 0.00019810905 0 4274 400 2.7281082e-11 2.5391148e-11 1.8899345e-12 - 115115 0.70946789 4674 0.00019930912 0 4274 400 2.7281082e-11 2.5391148e-11 1.8899345e-12 - 116058 1.3046899 4674 0.00020026515 0 4274 400 2.7281082e-11 2.5391148e-11 1.8899345e-12 -Loop time of 1.30471 on 4 procs for 2000 steps with 4674 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 116058 0 4674 0.00020026515 0 4274 400 2.7281082e-11 2.5391148e-11 1.8899345e-12 -number of iterations: 351 -maxz = 2.103291e-04 -S-sub-bulk = 4.755628e-03 -S-sub-base = 5.605121e-04 -S-nh4-bulk = 3.306119e-04 -S-nh4-base = 1.679174e-04 - - 116059 0.056765795 4763 0.00020050293 0 4363 400 2.7772208e-11 2.5875565e-11 1.896643e-12 -Loop time of 0.0567791 on 4 procs for 1 steps with 4763 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 116059 0 4763 0.00020050293 0 4363 400 2.7772208e-11 2.5875565e-11 1.896643e-12 - 116116 0.061648846 4763 0.00020146672 0 4363 400 2.7772208e-11 2.5875565e-11 1.896643e-12 - 117117 0.76516294 4763 0.00020278863 0 4363 400 2.7772208e-11 2.5875565e-11 1.896643e-12 - 118059 1.3685088 4763 0.00020360758 0 4363 400 2.7772208e-11 2.5875565e-11 1.896643e-12 -Loop time of 1.36853 on 4 procs for 2000 steps with 4763 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 118059 0 4763 0.00020360758 0 4363 400 2.7772208e-11 2.5875565e-11 1.896643e-12 -number of iterations: 5000 -maxz = 2.140753e-04 -S-sub-bulk = 4.972346e-03 -S-sub-base = 5.131510e-04 -S-nh4-bulk = 3.335632e-04 -S-nh4-base = 1.653162e-04 - - 118060 0.76480579 4849 0.00020377421 0 4449 400 2.8224441e-11 2.6321233e-11 1.9032082e-12 -Loop time of 0.764822 on 4 procs for 1 steps with 4849 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 118060 0 4849 0.00020377421 0 4449 400 2.8224441e-11 2.6321233e-11 1.9032082e-12 - 118118 0.062624931 4849 0.00020476997 0 4449 400 2.8224441e-11 2.6321233e-11 1.9032082e-12 - 119119 0.7741909 4849 0.00020584262 0 4449 400 2.8224441e-11 2.6321233e-11 1.9032082e-12 - 120060 1.3999579 4849 0.00020650183 0 4449 400 2.8224441e-11 2.6321233e-11 1.9032082e-12 -Loop time of 1.39998 on 4 procs for 2000 steps with 4849 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 120060 0 4849 0.00020650183 0 4449 400 2.8224441e-11 2.6321233e-11 1.9032082e-12 -number of iterations: 3760 -maxz = 2.176608e-04 -S-sub-bulk = 4.960922e-03 -S-sub-base = 4.748922e-04 -S-nh4-bulk = 3.345577e-04 -S-nh4-base = 1.637036e-04 - - 120061 0.57897115 4929 0.00020673339 0 4529 400 2.8689907e-11 2.6780107e-11 1.9098001e-12 -Loop time of 0.578984 on 4 procs for 1 steps with 4929 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 120061 0 4929 0.00020673339 0 4529 400 2.8689907e-11 2.6780107e-11 1.9098001e-12 - 120120 0.062909126 4929 0.00020801227 0 4529 400 2.8689907e-11 2.6780107e-11 1.9098001e-12 - 121121 0.78608012 4929 0.00020916357 0 4529 400 2.8689907e-11 2.6780107e-11 1.9098001e-12 - 122061 1.396035 4929 0.00020991548 0 4529 400 2.8689907e-11 2.6780107e-11 1.9098001e-12 -Loop time of 1.39606 on 4 procs for 2000 steps with 4929 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 122061 0 4929 0.00020991548 0 4529 400 2.8689907e-11 2.6780107e-11 1.9098001e-12 -number of iterations: 325 -maxz = 2.183188e-04 -S-sub-bulk = 4.731252e-03 -S-sub-base = 4.735645e-04 -S-nh4-bulk = 3.336585e-04 -S-nh4-base = 1.636206e-04 - - 122062 0.056354046 5020 0.00021007364 0 4620 400 2.9173331e-11 2.7256896e-11 1.9164349e-12 -Loop time of 0.0563672 on 4 procs for 1 steps with 5020 atoms - -98.2% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 122062 0 5020 0.00021007364 0 4620 400 2.9173331e-11 2.7256896e-11 1.9164349e-12 - 122122 0.063623905 5020 0.00021157476 0 4620 400 2.9173331e-11 2.7256896e-11 1.9164349e-12 - 123123 0.76905298 5020 0.00021262367 0 4620 400 2.9173331e-11 2.7256896e-11 1.9164349e-12 - 124062 1.3811541 5020 0.00021311144 0 4620 400 2.9173331e-11 2.7256896e-11 1.9164349e-12 -Loop time of 1.38118 on 4 procs for 2000 steps with 5020 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 124062 0 5020 0.00021311144 0 4620 400 2.9173331e-11 2.7256896e-11 1.9164349e-12 -number of iterations: 5000 -maxz = 2.212175e-04 -S-sub-bulk = 4.594588e-03 -S-sub-base = 4.506511e-04 -S-nh4-bulk = 3.317046e-04 -S-nh4-base = 1.631340e-04 - - 124063 0.769943 5081 0.00021322376 0 4681 400 2.9650663e-11 2.7727562e-11 1.9231006e-12 -Loop time of 0.769956 on 4 procs for 1 steps with 5081 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 124063 0 5081 0.00021322376 0 4681 400 2.9650663e-11 2.7727562e-11 1.9231006e-12 - 124124 0.070349932 5081 0.00021409463 0 4681 400 2.9650663e-11 2.7727562e-11 1.9231006e-12 - 125125 0.88172388 5081 0.00021584743 0 4681 400 2.9650663e-11 2.7727562e-11 1.9231006e-12 - 126063 1.5235879 5081 0.00021668036 0 4681 400 2.9650663e-11 2.7727562e-11 1.9231006e-12 -Loop time of 1.52362 on 4 procs for 2000 steps with 5081 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 126063 0 5081 0.00021668036 0 4681 400 2.9650663e-11 2.7727562e-11 1.9231006e-12 -number of iterations: 5000 -maxz = 2.254287e-04 -S-sub-bulk = 4.867415e-03 -S-sub-base = 4.092466e-04 -S-nh4-bulk = 3.353658e-04 -S-nh4-base = 1.604191e-04 - - 126064 0.7989471 5172 0.00021704554 0 4772 400 3.0089488e-11 2.815992e-11 1.9295682e-12 -Loop time of 0.798964 on 4 procs for 1 steps with 5172 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 126064 0 5172 0.00021704554 0 4772 400 3.0089488e-11 2.815992e-11 1.9295682e-12 - 126126 0.070873022 5172 0.00021814018 0 4772 400 3.0089488e-11 2.815992e-11 1.9295682e-12 - 127127 0.86168122 5172 0.00021959752 0 4772 400 3.0089488e-11 2.815992e-11 1.9295682e-12 - 128064 1.5153282 5172 0.00022038678 0 4772 400 3.0089488e-11 2.815992e-11 1.9295682e-12 -Loop time of 1.51535 on 4 procs for 2000 steps with 5172 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 128064 0 5172 0.00022038678 0 4772 400 3.0089488e-11 2.815992e-11 1.9295682e-12 -number of iterations: 3448 -maxz = 2.307554e-04 -S-sub-bulk = 4.829525e-03 -S-sub-base = 3.805279e-04 -S-nh4-bulk = 3.368218e-04 -S-nh4-base = 1.585581e-04 - - 128065 0.55882907 5255 0.00022056746 0 4855 400 3.0548025e-11 2.861196e-11 1.9360647e-12 -Loop time of 0.558847 on 4 procs for 1 steps with 5255 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 128065 0 5255 0.00022056746 0 4855 400 3.0548025e-11 2.861196e-11 1.9360647e-12 - 128128 0.071849108 5255 0.00022151013 0 4855 400 3.0548025e-11 2.861196e-11 1.9360647e-12 - 129129 0.81267905 5255 0.00022283584 0 4855 400 3.0548025e-11 2.861196e-11 1.9360647e-12 - 130065 1.4493241 5255 0.00022355545 0 4855 400 3.0548025e-11 2.861196e-11 1.9360647e-12 -Loop time of 1.44935 on 4 procs for 2000 steps with 5255 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 130065 0 5255 0.00022355545 0 4855 400 3.0548025e-11 2.861196e-11 1.9360647e-12 -number of iterations: 5000 -maxz = 2.331319e-04 -S-sub-bulk = 5.012468e-03 -S-sub-base = 3.606057e-04 -S-nh4-bulk = 3.419344e-04 -S-nh4-base = 1.560144e-04 - - 130066 0.82957411 5331 0.00022364322 0 4931 400 3.0983566e-11 2.9041164e-11 1.9424018e-12 -Loop time of 0.829588 on 4 procs for 1 steps with 5331 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 130066 0 5331 0.00022364322 0 4931 400 3.0983566e-11 2.9041164e-11 1.9424018e-12 - 130130 0.07517004 5331 0.0002246512 0 4931 400 3.0983566e-11 2.9041164e-11 1.9424018e-12 - 131131 0.81487322 5331 0.00022560993 0 4931 400 3.0983566e-11 2.9041164e-11 1.9424018e-12 - 132066 1.4630871 5331 0.00022612569 0 4931 400 3.0983566e-11 2.9041164e-11 1.9424018e-12 -Loop time of 1.46311 on 4 procs for 2000 steps with 5331 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 132066 0 5331 0.00022612569 0 4931 400 3.0983566e-11 2.9041164e-11 1.9424018e-12 -number of iterations: 3254 -maxz = 2.361573e-04 -S-sub-bulk = 4.961324e-03 -S-sub-base = 3.420430e-04 -S-nh4-bulk = 3.447022e-04 -S-nh4-base = 1.544907e-04 - - 132067 0.54381204 5410 0.00022616793 0 5010 400 3.1433855e-11 2.9485096e-11 1.9487597e-12 -Loop time of 0.543826 on 4 procs for 1 steps with 5410 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 132067 0 5410 0.00022616793 0 5010 400 3.1433855e-11 2.9485096e-11 1.9487597e-12 - 132132 0.075164795 5410 0.0002275521 0 5010 400 3.1433855e-11 2.9485096e-11 1.9487597e-12 - 133133 0.8586309 5410 0.00022883079 0 5010 400 3.1433855e-11 2.9485096e-11 1.9487597e-12 - 134067 1.5113828 5410 0.00022928186 0 5010 400 3.1433855e-11 2.9485096e-11 1.9487597e-12 -Loop time of 1.5114 on 4 procs for 2000 steps with 5410 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 134067 0 5410 0.00022928186 0 5010 400 3.1433855e-11 2.9485096e-11 1.9487597e-12 -number of iterations: 527 -maxz = 2.397735e-04 -S-sub-bulk = 4.720287e-03 -S-sub-base = 3.404689e-04 -S-nh4-bulk = 3.451142e-04 -S-nh4-base = 1.543735e-04 - - 134068 0.096641064 5485 0.00022958976 0 5085 400 3.1900521e-11 2.9945361e-11 1.9551606e-12 -Loop time of 0.0966554 on 4 procs for 1 steps with 5485 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 134068 0 5485 0.00022958976 0 5085 400 3.1900521e-11 2.9945361e-11 1.9551606e-12 - 134134 0.081147909 5485 0.00023077276 0 5085 400 3.1900521e-11 2.9945361e-11 1.9551606e-12 - 135135 0.88694191 5485 0.00023223496 0 5085 400 3.1900521e-11 2.9945361e-11 1.9551606e-12 - 136068 1.563787 5485 0.00023317486 0 5085 400 3.1900521e-11 2.9945361e-11 1.9551606e-12 -Loop time of 1.56381 on 4 procs for 2000 steps with 5485 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 136068 0 5485 0.00023317486 0 5085 400 3.1900521e-11 2.9945361e-11 1.9551606e-12 -number of iterations: 5000 -maxz = 2.435424e-04 -S-sub-bulk = 4.589618e-03 -S-sub-base = 3.258745e-04 -S-nh4-bulk = 3.425145e-04 -S-nh4-base = 1.544872e-04 - - 136069 0.83499408 5576 0.00023328168 0 5176 400 3.2359909e-11 3.0398258e-11 1.9616511e-12 -Loop time of 0.835011 on 4 procs for 1 steps with 5576 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 136069 0 5576 0.00023328168 0 5176 400 3.2359909e-11 3.0398258e-11 1.9616511e-12 - 136136 0.080379963 5576 0.00023453502 0 5176 400 3.2359909e-11 3.0398258e-11 1.9616511e-12 - 137137 0.89559793 5576 0.00023571582 0 5176 400 3.2359909e-11 3.0398258e-11 1.9616511e-12 - 138069 1.5906451 5576 0.00023664061 0 5176 400 3.2359909e-11 3.0398258e-11 1.9616511e-12 -Loop time of 1.59067 on 4 procs for 2000 steps with 5576 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 138069 0 5576 0.00023664061 0 5176 400 3.2359909e-11 3.0398258e-11 1.9616511e-12 -number of iterations: 5000 -maxz = 2.462871e-04 -S-sub-bulk = 4.864353e-03 -S-sub-base = 2.977687e-04 -S-nh4-bulk = 3.448265e-04 -S-nh4-base = 1.529951e-04 - - 138070 0.86186194 5669 0.00023675732 0 5269 400 3.2781177e-11 3.0813201e-11 1.9679755e-12 -Loop time of 0.861877 on 4 procs for 1 steps with 5669 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 138070 0 5669 0.00023675732 0 5269 400 3.2781177e-11 3.0813201e-11 1.9679755e-12 - 138138 0.085234165 5669 0.00023768238 0 5269 400 3.2781177e-11 3.0813201e-11 1.9679755e-12 - 139139 0.88614511 5669 0.00023846368 0 5269 400 3.2781177e-11 3.0813201e-11 1.9679755e-12 - 140070 1.600982 5669 0.00023911427 0 5269 400 3.2781177e-11 3.0813201e-11 1.9679755e-12 -Loop time of 1.60101 on 4 procs for 2000 steps with 5669 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 140070 0 5669 0.00023911427 0 5269 400 3.2781177e-11 3.0813201e-11 1.9679755e-12 -number of iterations: 3893 -maxz = 2.487205e-04 -S-sub-bulk = 4.850035e-03 -S-sub-base = 2.741990e-04 -S-nh4-bulk = 3.464752e-04 -S-nh4-base = 1.510377e-04 - - 140071 0.67725587 5733 0.00023945206 0 5333 400 3.3220136e-11 3.124585e-11 1.9742869e-12 -Loop time of 0.677271 on 4 procs for 1 steps with 5733 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 140071 0 5733 0.00023945206 0 5333 400 3.3220136e-11 3.124585e-11 1.9742869e-12 - 140140 0.084046125 5733 0.00024049449 0 5333 400 3.3220136e-11 3.124585e-11 1.9742869e-12 - 141141 0.89825296 5733 0.00024163527 0 5333 400 3.3220136e-11 3.124585e-11 1.9742869e-12 - 142071 1.612437 5733 0.00024210108 0 5333 400 3.3220136e-11 3.124585e-11 1.9742869e-12 -Loop time of 1.61246 on 4 procs for 2000 steps with 5733 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 142071 0 5733 0.00024210108 0 5333 400 3.3220136e-11 3.124585e-11 1.9742869e-12 -number of iterations: 194 -maxz = 2.520343e-04 -S-sub-bulk = 4.630753e-03 -S-sub-base = 2.736992e-04 -S-nh4-bulk = 3.458722e-04 -S-nh4-base = 1.509648e-04 - - 142072 0.041620016 5794 0.00024245856 0 5394 400 3.367605e-11 3.1695402e-11 1.9806483e-12 -Loop time of 0.0416355 on 4 procs for 1 steps with 5794 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 142072 0 5794 0.00024245856 0 5394 400 3.367605e-11 3.1695402e-11 1.9806483e-12 - 142142 0.089244127 5794 0.00024355631 0 5394 400 3.367605e-11 3.1695402e-11 1.9806483e-12 - 143143 0.93463206 5794 0.00024493638 0 5394 400 3.367605e-11 3.1695402e-11 1.9806483e-12 - 144072 1.639107 5794 0.00024573218 0 5394 400 3.367605e-11 3.1695402e-11 1.9806483e-12 -Loop time of 1.63913 on 4 procs for 2000 steps with 5794 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 144072 0 5794 0.00024573218 0 5394 400 3.367605e-11 3.1695402e-11 1.9806483e-12 -number of iterations: 5000 -maxz = 2.537133e-04 -S-sub-bulk = 4.867329e-03 -S-sub-base = 2.576924e-04 -S-nh4-bulk = 3.494813e-04 -S-nh4-base = 1.486238e-04 - - 144073 0.92079091 5864 0.00024585843 0 5464 400 3.4091337e-11 3.2104487e-11 1.9868503e-12 -Loop time of 0.920805 on 4 procs for 1 steps with 5864 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 144073 0 5864 0.00024585843 0 5464 400 3.4091337e-11 3.2104487e-11 1.9868503e-12 - 144144 0.091186047 5864 0.00024651601 0 5464 400 3.4091337e-11 3.2104487e-11 1.9868503e-12 - 145145 0.91589189 5864 0.00024766908 0 5464 400 3.4091337e-11 3.2104487e-11 1.9868503e-12 - 146073 1.634479 5864 0.00024844307 0 5464 400 3.4091337e-11 3.2104487e-11 1.9868503e-12 -Loop time of 1.63451 on 4 procs for 2000 steps with 5864 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 146073 0 5864 0.00024844307 0 5464 400 3.4091337e-11 3.2104487e-11 1.9868503e-12 -number of iterations: 4450 -maxz = 2.592105e-04 -S-sub-bulk = 4.861022e-03 -S-sub-base = 2.351730e-04 -S-nh4-bulk = 3.524997e-04 -S-nh4-base = 1.465195e-04 - - 146074 0.8523221 5938 0.0002487523 0 5538 400 3.452094e-11 3.2527916e-11 1.9930248e-12 -Loop time of 0.852337 on 4 procs for 1 steps with 5938 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 146074 0 5938 0.0002487523 0 5538 400 3.452094e-11 3.2527916e-11 1.9930248e-12 - 146146 0.094357014 5938 0.00025005562 0 5538 400 3.452094e-11 3.2527916e-11 1.9930248e-12 - 147147 0.94965792 5938 0.00025081043 0 5538 400 3.452094e-11 3.2527916e-11 1.9930248e-12 - 148074 1.6485119 5938 0.00025118391 0 5538 400 3.452094e-11 3.2527916e-11 1.9930248e-12 -Loop time of 1.64853 on 4 procs for 2000 steps with 5938 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 148074 0 5938 0.00025118391 0 5538 400 3.452094e-11 3.2527916e-11 1.9930248e-12 -number of iterations: 244 -maxz = 2.618126e-04 -S-sub-bulk = 4.658054e-03 -S-sub-base = 2.346552e-04 -S-nh4-bulk = 3.533795e-04 -S-nh4-base = 1.464434e-04 - - 148075 0.052214861 6028 0.00025147197 0 5628 400 3.4966555e-11 3.2967323e-11 1.9992325e-12 -Loop time of 0.0522292 on 4 procs for 1 steps with 6028 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 148075 0 6028 0.00025147197 0 5628 400 3.4966555e-11 3.2967323e-11 1.9992325e-12 - 148148 0.094234943 6028 0.00025286925 0 5628 400 3.4966555e-11 3.2967323e-11 1.9992325e-12 - 149149 0.94420004 6028 0.00025375443 0 5628 400 3.4966555e-11 3.2967323e-11 1.9992325e-12 - 150075 1.668803 6028 0.00025421758 0 5628 400 3.4966555e-11 3.2967323e-11 1.9992325e-12 -Loop time of 1.66883 on 4 procs for 2000 steps with 6028 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 150075 0 6028 0.00025421758 0 5628 400 3.4966555e-11 3.2967323e-11 1.9992325e-12 -number of iterations: 5000 -maxz = 2.633679e-04 -S-sub-bulk = 4.885697e-03 -S-sub-base = 2.216574e-04 -S-nh4-bulk = 3.569185e-04 -S-nh4-base = 1.447198e-04 - - 150076 0.92277098 6109 0.00025430643 0 5709 400 3.537363e-11 3.3368307e-11 2.005323e-12 -Loop time of 0.922785 on 4 procs for 1 steps with 6109 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 150076 0 6109 0.00025430643 0 5709 400 3.537363e-11 3.3368307e-11 2.005323e-12 - 150150 0.097254992 6109 0.0002557433 0 5709 400 3.537363e-11 3.3368307e-11 2.005323e-12 - 151151 0.98629594 6109 0.0002563814 0 5709 400 3.537363e-11 3.3368307e-11 2.005323e-12 - 152076 1.7563779 6109 0.00025702809 0 5709 400 3.537363e-11 3.3368307e-11 2.005323e-12 -Loop time of 1.7564 on 4 procs for 2000 steps with 6109 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 152076 0 6109 0.00025702809 0 5709 400 3.537363e-11 3.3368307e-11 2.005323e-12 -number of iterations: 4726 -maxz = 2.676728e-04 -S-sub-bulk = 4.897400e-03 -S-sub-base = 2.020706e-04 -S-nh4-bulk = 3.593313e-04 -S-nh4-base = 1.431326e-04 - - 152077 0.87994289 6186 0.00025722904 0 5786 400 3.5792775e-11 3.3781369e-11 2.0114063e-12 -Loop time of 0.879956 on 4 procs for 1 steps with 6186 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 152077 0 6186 0.00025722904 0 5786 400 3.5792775e-11 3.3781369e-11 2.0114063e-12 - 152152 0.10238981 6186 0.00025827588 0 5786 400 3.5792775e-11 3.3781369e-11 2.0114063e-12 - 153153 0.980057 6186 0.00025893227 0 5786 400 3.5792775e-11 3.3781369e-11 2.0114063e-12 - 154077 1.7414138 6186 0.00025968485 0 5786 400 3.5792775e-11 3.3781369e-11 2.0114063e-12 -Loop time of 1.74144 on 4 procs for 2000 steps with 6186 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 154077 0 6186 0.00025968485 0 5786 400 3.5792775e-11 3.3781369e-11 2.0114063e-12 -number of iterations: 187 -maxz = 2.695387e-04 -S-sub-bulk = 4.701825e-03 -S-sub-base = 2.017256e-04 -S-nh4-bulk = 3.595430e-04 -S-nh4-base = 1.430917e-04 - - 154078 0.042567968 6264 0.00025993887 0 5864 400 3.6228558e-11 3.4211027e-11 2.0175311e-12 -Loop time of 0.0425822 on 4 procs for 1 steps with 6264 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 154078 0 6264 0.00025993887 0 5864 400 3.6228558e-11 3.4211027e-11 2.0175311e-12 - 154154 0.10030818 6264 0.000261449 0 5864 400 3.6228558e-11 3.4211027e-11 2.0175311e-12 - 155155 1.0288081 6264 0.00026278978 0 5864 400 3.6228558e-11 3.4211027e-11 2.0175311e-12 - 156078 1.8001571 6264 0.00026351383 0 5864 400 3.6228558e-11 3.4211027e-11 2.0175311e-12 -Loop time of 1.80018 on 4 procs for 2000 steps with 6264 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 156078 0 6264 0.00026351383 0 5864 400 3.6228558e-11 3.4211027e-11 2.0175311e-12 -number of iterations: 4342 -maxz = 2.722254e-04 -S-sub-bulk = 4.535908e-03 -S-sub-base = 1.963460e-04 -S-nh4-bulk = 3.579464e-04 -S-nh4-base = 1.426766e-04 - - 156079 0.81915712 6340 0.00026374972 0 5940 400 3.6663707e-11 3.4640002e-11 2.0237048e-12 -Loop time of 0.81917 on 4 procs for 1 steps with 6340 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 156079 0 6340 0.00026374972 0 5940 400 3.6663707e-11 3.4640002e-11 2.0237048e-12 - 156156 0.10557795 6340 0.00026498461 0 5940 400 3.6663707e-11 3.4640002e-11 2.0237048e-12 - 157157 1.023598 6340 0.000266179 0 5940 400 3.6663707e-11 3.4640002e-11 2.0237048e-12 - 158079 1.7995081 6340 0.00026678618 0 5940 400 3.6663707e-11 3.4640002e-11 2.0237048e-12 -Loop time of 1.79953 on 4 procs for 2000 steps with 6340 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 158079 0 6340 0.00026678618 0 5940 400 3.6663707e-11 3.4640002e-11 2.0237048e-12 -number of iterations: 5000 -maxz = 2.758648e-04 -S-sub-bulk = 4.819773e-03 -S-sub-base = 1.828044e-04 -S-nh4-bulk = 3.601544e-04 -S-nh4-base = 1.416188e-04 - - 158080 0.96340585 6428 0.00026706279 0 6028 400 3.7057619e-11 3.5027876e-11 2.0297435e-12 -Loop time of 0.96342 on 4 procs for 1 steps with 6428 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 158080 0 6428 0.00026706279 0 6028 400 3.7057619e-11 3.5027876e-11 2.0297435e-12 - 158158 0.10252094 6428 0.00026806689 0 6028 400 3.7057619e-11 3.5027876e-11 2.0297435e-12 - 159159 1.0089979 6428 0.00026919481 0 6028 400 3.7057619e-11 3.5027876e-11 2.0297435e-12 - 160080 1.7877359 6428 0.00026982842 0 6028 400 3.7057619e-11 3.5027876e-11 2.0297435e-12 -Loop time of 1.78776 on 4 procs for 2000 steps with 6428 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 160080 0 6428 0.00026982842 0 6028 400 3.7057619e-11 3.5027876e-11 2.0297435e-12 -number of iterations: 4621 -maxz = 2.815950e-04 -S-sub-bulk = 4.798221e-03 -S-sub-base = 1.656542e-04 -S-nh4-bulk = 3.625327e-04 -S-nh4-base = 1.396467e-04 - - 160081 0.89455009 6495 0.00027002664 0 6095 400 3.7470692e-11 3.5434951e-11 2.035741e-12 -Loop time of 0.894565 on 4 procs for 1 steps with 6495 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 160081 0 6495 0.00027002664 0 6095 400 3.7470692e-11 3.5434951e-11 2.035741e-12 - 160160 0.10715389 6495 0.00027128614 0 6095 400 3.7470692e-11 3.5434951e-11 2.035741e-12 - 161161 1.0053101 6495 0.00027225704 0 6095 400 3.7470692e-11 3.5434951e-11 2.035741e-12 - 162081 1.7853339 6495 0.00027270696 0 6095 400 3.7470692e-11 3.5434951e-11 2.035741e-12 -Loop time of 1.78536 on 4 procs for 2000 steps with 6495 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 162081 0 6495 0.00027270696 0 6095 400 3.7470692e-11 3.5434951e-11 2.035741e-12 -number of iterations: 5000 -maxz = 2.845377e-04 -S-sub-bulk = 4.999830e-03 -S-sub-base = 1.598831e-04 -S-nh4-bulk = 3.671345e-04 -S-nh4-base = 1.378902e-04 - - 162082 0.99237585 6569 0.00027305241 0 6169 400 3.7860482e-11 3.5818859e-11 2.041623e-12 -Loop time of 0.992391 on 4 procs for 1 steps with 6569 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 162082 0 6569 0.00027305241 0 6169 400 3.7860482e-11 3.5818859e-11 2.041623e-12 - 162162 0.11553717 6569 0.00027416641 0 6169 400 3.7860482e-11 3.5818859e-11 2.041623e-12 - 163163 1.0532281 6569 0.00027507336 0 6169 400 3.7860482e-11 3.5818859e-11 2.041623e-12 - 164082 1.8521042 6569 0.00027583125 0 6169 400 3.7860482e-11 3.5818859e-11 2.041623e-12 -Loop time of 1.85213 on 4 procs for 2000 steps with 6569 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 164082 0 6569 0.00027583125 0 6169 400 3.7860482e-11 3.5818859e-11 2.041623e-12 -number of iterations: 4048 -maxz = 2.864938e-04 -S-sub-bulk = 4.946755e-03 -S-sub-base = 1.507017e-04 -S-nh4-bulk = 3.707498e-04 -S-nh4-base = 1.362516e-04 - - 164083 0.80723095 6630 0.00027594367 0 6230 400 3.8266755e-11 3.6219272e-11 2.0474832e-12 -Loop time of 0.807245 on 4 procs for 1 steps with 6630 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 164083 0 6630 0.00027594367 0 6230 400 3.8266755e-11 3.6219272e-11 2.0474832e-12 - 164164 0.11622 6630 0.0002769198 0 6230 400 3.8266755e-11 3.6219272e-11 2.0474832e-12 - 165165 1.0366969 6630 0.00027807924 0 6230 400 3.8266755e-11 3.6219272e-11 2.0474832e-12 - 166083 1.8421121 6630 0.00027874177 0 6230 400 3.8266755e-11 3.6219272e-11 2.0474832e-12 -Loop time of 1.84214 on 4 procs for 2000 steps with 6630 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 166083 0 6630 0.00027874177 0 6230 400 3.8266755e-11 3.6219272e-11 2.0474832e-12 -number of iterations: 513 -maxz = 2.884937e-04 -S-sub-bulk = 4.711280e-03 -S-sub-base = 1.500549e-04 -S-nh4-bulk = 3.719637e-04 -S-nh4-base = 1.361156e-04 - - 166084 0.11350393 6705 0.0002790278 0 6305 400 3.8689024e-11 3.6635643e-11 2.0533812e-12 -Loop time of 0.113518 on 4 procs for 1 steps with 6705 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 166084 0 6705 0.0002790278 0 6305 400 3.8689024e-11 3.6635643e-11 2.0533812e-12 - 166166 0.12326384 6705 0.00028045351 0 6305 400 3.8689024e-11 3.6635643e-11 2.0533812e-12 - 167167 1.082592 6705 0.00028160601 0 6305 400 3.8689024e-11 3.6635643e-11 2.0533812e-12 - 168084 1.906168 6705 0.00028266208 0 6305 400 3.8689024e-11 3.6635643e-11 2.0533812e-12 -Loop time of 1.90619 on 4 procs for 2000 steps with 6705 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 168084 0 6705 0.00028266208 0 6305 400 3.8689024e-11 3.6635643e-11 2.0533812e-12 -number of iterations: 5000 -maxz = 2.907695e-04 -S-sub-bulk = 4.574219e-03 -S-sub-base = 1.459943e-04 -S-nh4-bulk = 3.710700e-04 -S-nh4-base = 1.356501e-04 - - 168085 1.0026131 6775 0.00028285526 0 6375 400 3.9105257e-11 3.7045927e-11 2.0593301e-12 -Loop time of 1.00263 on 4 procs for 1 steps with 6775 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 168085 0 6775 0.00028285526 0 6375 400 3.9105257e-11 3.7045927e-11 2.0593301e-12 - 168168 0.12039089 6775 0.00028396974 0 6375 400 3.9105257e-11 3.7045927e-11 2.0593301e-12 - 169169 1.089673 6775 0.00028505165 0 6375 400 3.9105257e-11 3.7045927e-11 2.0593301e-12 - 170085 1.9118049 6775 0.00028593043 0 6375 400 3.9105257e-11 3.7045927e-11 2.0593301e-12 -Loop time of 1.91183 on 4 procs for 2000 steps with 6775 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 170085 0 6775 0.00028593043 0 6375 400 3.9105257e-11 3.7045927e-11 2.0593301e-12 -number of iterations: 5000 -maxz = 2.932561e-04 -S-sub-bulk = 4.871451e-03 -S-sub-base = 1.363762e-04 -S-nh4-bulk = 3.726666e-04 -S-nh4-base = 1.351346e-04 - - 170086 1.025439 6868 0.00028607125 0 6468 400 3.9481156e-11 3.7415971e-11 2.065185e-12 -Loop time of 1.02545 on 4 procs for 1 steps with 6868 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 170086 0 6868 0.00028607125 0 6468 400 3.9481156e-11 3.7415971e-11 2.065185e-12 - 170170 0.1218369 6868 0.00028697482 0 6468 400 3.9481156e-11 3.7415971e-11 2.065185e-12 - 171171 1.0727119 6868 0.00028784442 0 6468 400 3.9481156e-11 3.7415971e-11 2.065185e-12 - 172086 1.9018841 6868 0.00028832054 0 6468 400 3.9481156e-11 3.7415971e-11 2.065185e-12 -Loop time of 1.90191 on 4 procs for 2000 steps with 6868 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 172086 0 6868 0.00028832054 0 6468 400 3.9481156e-11 3.7415971e-11 2.065185e-12 -number of iterations: 5000 -maxz = 2.963374e-04 -S-sub-bulk = 4.866970e-03 -S-sub-base = 1.231102e-04 -S-nh4-bulk = 3.748830e-04 -S-nh4-base = 1.334630e-04 - - 172087 1.024303 6937 0.00028856753 0 6537 400 3.987564e-11 3.7804651e-11 2.0709892e-12 -Loop time of 1.02432 on 4 procs for 1 steps with 6937 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 172087 0 6937 0.00028856753 0 6537 400 3.987564e-11 3.7804651e-11 2.0709892e-12 - 172172 0.12764812 6937 0.00028973715 0 6537 400 3.987564e-11 3.7804651e-11 2.0709892e-12 - 173173 1.090173 6937 0.00029071107 0 6537 400 3.987564e-11 3.7804651e-11 2.0709892e-12 - 174087 1.8981981 6937 0.00029107285 0 6537 400 3.987564e-11 3.7804651e-11 2.0709892e-12 -Loop time of 1.89822 on 4 procs for 2000 steps with 6937 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 174087 0 6937 0.00029107285 0 6537 400 3.987564e-11 3.7804651e-11 2.0709892e-12 -number of iterations: 171 -maxz = 3.011120e-04 -S-sub-bulk = 4.661095e-03 -S-sub-base = 1.229242e-04 -S-nh4-bulk = 3.752669e-04 -S-nh4-base = 1.334129e-04 - - 174088 0.042418003 7003 0.00029120191 0 6603 400 4.0286761e-11 3.8209937e-11 2.0768243e-12 -Loop time of 0.0424314 on 4 procs for 1 steps with 7003 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 174088 0 7003 0.00029120191 0 6603 400 4.0286761e-11 3.8209937e-11 2.0768243e-12 - 174174 0.12613082 7003 0.00029231755 0 6603 400 4.0286761e-11 3.8209937e-11 2.0768243e-12 - 175175 1.1137319 7003 0.00029354314 0 6603 400 4.0286761e-11 3.8209937e-11 2.0768243e-12 - 176088 1.9441929 7003 0.00029415378 0 6603 400 4.0286761e-11 3.8209937e-11 2.0768243e-12 -Loop time of 1.94422 on 4 procs for 2000 steps with 7003 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 176088 0 7003 0.00029415378 0 6603 400 4.0286761e-11 3.8209937e-11 2.0768243e-12 -number of iterations: 5000 -maxz = 3.046541e-04 -S-sub-bulk = 4.868770e-03 -S-sub-base = 1.189609e-04 -S-nh4-bulk = 3.783181e-04 -S-nh4-base = 1.318966e-04 - - 176089 1.0642509 7078 0.00029431035 0 6678 400 4.0661259e-11 3.8578711e-11 2.0825472e-12 -Loop time of 1.06426 on 4 procs for 1 steps with 7078 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 176089 0 7078 0.00029431035 0 6678 400 4.0661259e-11 3.8578711e-11 2.0825472e-12 - 176176 0.1245811 7078 0.00029534861 0 6678 400 4.0661259e-11 3.8578711e-11 2.0825472e-12 - 177177 1.1160922 7078 0.00029630926 0 6678 400 4.0661259e-11 3.8578711e-11 2.0825472e-12 - 178089 1.972435 7078 0.00029693765 0 6678 400 4.0661259e-11 3.8578711e-11 2.0825472e-12 -Loop time of 1.97246 on 4 procs for 2000 steps with 7078 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 178089 0 7078 0.00029693765 0 6678 400 4.0661259e-11 3.8578711e-11 2.0825472e-12 -number of iterations: 5000 -maxz = 3.069993e-04 -S-sub-bulk = 4.876340e-03 -S-sub-base = 1.085258e-04 -S-nh4-bulk = 3.816188e-04 -S-nh4-base = 1.301299e-04 - - 178090 1.062804 7154 0.00029699319 0 6754 400 4.1047002e-11 3.8958782e-11 2.0882193e-12 -Loop time of 1.06282 on 4 procs for 1 steps with 7154 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 178090 0 7154 0.00029699319 0 6754 400 4.1047002e-11 3.8958782e-11 2.0882193e-12 - 178178 0.13052702 7154 0.00029812362 0 6754 400 4.1047002e-11 3.8958782e-11 2.0882193e-12 - 179179 1.1415601 7154 0.00029923018 0 6754 400 4.1047002e-11 3.8958782e-11 2.0882193e-12 - 180090 1.993011 7154 0.00029989324 0 6754 400 4.1047002e-11 3.8958782e-11 2.0882193e-12 -Loop time of 1.99304 on 4 procs for 2000 steps with 7154 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 180090 0 7154 0.00029989324 0 6754 400 4.1047002e-11 3.8958782e-11 2.0882193e-12 -number of iterations: 606 -maxz = 3.123542e-04 -S-sub-bulk = 4.684379e-03 -S-sub-base = 1.078418e-04 -S-nh4-bulk = 3.829676e-04 -S-nh4-base = 1.299638e-04 - - 180091 0.13970709 7221 0.00030000284 0 6821 400 4.1448954e-11 3.9355037e-11 2.0939166e-12 -Loop time of 0.13972 on 4 procs for 1 steps with 7221 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 180091 0 7221 0.00030000284 0 6821 400 4.1448954e-11 3.9355037e-11 2.0939166e-12 - 180180 0.13509703 7221 0.00030116199 0 6821 400 4.1448954e-11 3.9355037e-11 2.0939166e-12 - 181181 1.1323769 7221 0.00030217964 0 6821 400 4.1448954e-11 3.9355037e-11 2.0939166e-12 - 182091 2.0067251 7221 0.00030294714 0 6821 400 4.1448954e-11 3.9355037e-11 2.0939166e-12 -Loop time of 2.00675 on 4 procs for 2000 steps with 7221 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 182091 0 7221 0.00030294714 0 6821 400 4.1448954e-11 3.9355037e-11 2.0939166e-12 -number of iterations: 5000 -maxz = 3.175129e-04 -S-sub-bulk = 4.932763e-03 -S-sub-base = 1.035780e-04 -S-nh4-bulk = 3.860325e-04 -S-nh4-base = 1.287520e-04 - - 182092 1.091059 7294 0.00030318757 0 6894 400 4.1811488e-11 3.9711961e-11 2.0995272e-12 -Loop time of 1.09107 on 4 procs for 1 steps with 7294 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 182092 0 7294 0.00030318757 0 6894 400 4.1811488e-11 3.9711961e-11 2.0995272e-12 - 182182 0.135324 7294 0.00030435331 0 6894 400 4.1811488e-11 3.9711961e-11 2.0995272e-12 - 183183 1.1421409 7294 0.00030520661 0 6894 400 4.1811488e-11 3.9711961e-11 2.0995272e-12 - 184092 2.0046499 7294 0.00030594951 0 6894 400 4.1811488e-11 3.9711961e-11 2.0995272e-12 -Loop time of 2.00467 on 4 procs for 2000 steps with 7294 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 184092 0 7294 0.00030594951 0 6894 400 4.1811488e-11 3.9711961e-11 2.0995272e-12 -number of iterations: 5000 -maxz = 3.178727e-04 -S-sub-bulk = 4.933016e-03 -S-sub-base = 9.401927e-05 -S-nh4-bulk = 3.890026e-04 -S-nh4-base = 1.272826e-04 - - 184093 1.093586 7356 0.00030631896 0 6956 400 4.2188875e-11 4.0083775e-11 2.1050996e-12 -Loop time of 1.0936 on 4 procs for 1 steps with 7356 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 184093 0 7356 0.00030631896 0 6956 400 4.2188875e-11 4.0083775e-11 2.1050996e-12 - 184184 0.138556 7356 0.00030733428 0 6956 400 4.2188875e-11 4.0083775e-11 2.1050996e-12 - 185185 1.1454871 7356 0.0003087383 0 6956 400 4.2188875e-11 4.0083775e-11 2.1050996e-12 - 186093 2.03403 7356 0.00030962406 0 6956 400 4.2188875e-11 4.0083775e-11 2.1050996e-12 -Loop time of 2.03406 on 4 procs for 2000 steps with 7356 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 186093 0 7356 0.00030962406 0 6956 400 4.2188875e-11 4.0083775e-11 2.1050996e-12 -number of iterations: 595 -maxz = 3.192508e-04 -S-sub-bulk = 4.716391e-03 -S-sub-base = 9.340642e-05 -S-nh4-bulk = 3.901932e-04 -S-nh4-base = 1.271547e-04 - - 186094 0.14402986 7409 0.00030993531 0 7009 400 4.2584344e-11 4.047365e-11 2.1106944e-12 -Loop time of 0.144044 on 4 procs for 1 steps with 7409 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 186094 0 7409 0.00030993531 0 7009 400 4.2584344e-11 4.047365e-11 2.1106944e-12 - 186186 0.13078785 7409 0.0003107646 0 7009 400 4.2584344e-11 4.047365e-11 2.1106944e-12 - 187187 1.1305928 7409 0.00031167342 0 7009 400 4.2584344e-11 4.047365e-11 2.1106944e-12 - 188094 1.975117 7409 0.00031216476 0 7009 400 4.2584344e-11 4.047365e-11 2.1106944e-12 -Loop time of 1.97514 on 4 procs for 2000 steps with 7409 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 188094 0 7409 0.00031216476 0 7009 400 4.2584344e-11 4.047365e-11 2.1106944e-12 -number of iterations: 4567 -maxz = 3.226744e-04 -S-sub-bulk = 4.564115e-03 -S-sub-base = 9.130635e-05 -S-nh4-bulk = 3.901798e-04 -S-nh4-base = 1.265215e-04 - - 188095 1.0663481 7465 0.00031223908 0 7065 400 4.2976665e-11 4.0860357e-11 2.1163085e-12 -Loop time of 1.06636 on 4 procs for 1 steps with 7465 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 188095 0 7465 0.00031223908 0 7065 400 4.2976665e-11 4.0860357e-11 2.1163085e-12 - 188188 0.14518809 7465 0.00031357523 0 7065 400 4.2976665e-11 4.0860357e-11 2.1163085e-12 - 189189 1.1643879 7465 0.00031443382 0 7065 400 4.2976665e-11 4.0860357e-11 2.1163085e-12 - 190095 2.0526571 7465 0.00031515175 0 7065 400 4.2976665e-11 4.0860357e-11 2.1163085e-12 -Loop time of 2.05268 on 4 procs for 2000 steps with 7465 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 190095 0 7465 0.00031515175 0 7065 400 4.2976665e-11 4.0860357e-11 2.1163085e-12 -number of iterations: 5000 -maxz = 3.269547e-04 -S-sub-bulk = 4.871492e-03 -S-sub-base = 8.683906e-05 -S-nh4-bulk = 3.917638e-04 -S-nh4-base = 1.260672e-04 - - 190096 1.1346271 7531 0.00031531882 0 7131 400 4.3326821e-11 4.1204968e-11 2.1218532e-12 -Loop time of 1.13464 on 4 procs for 1 steps with 7531 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 190096 0 7531 0.00031531882 0 7131 400 4.3326821e-11 4.1204968e-11 2.1218532e-12 - 190190 0.14376903 7531 0.00031641829 0 7131 400 4.3326821e-11 4.1204968e-11 2.1218532e-12 - 191191 1.1852212 7531 0.00031750934 0 7131 400 4.3326821e-11 4.1204968e-11 2.1218532e-12 - 192096 2.0775571 7531 0.00031816106 0 7131 400 4.3326821e-11 4.1204968e-11 2.1218532e-12 -Loop time of 2.07758 on 4 procs for 2000 steps with 7531 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 192096 0 7531 0.00031816106 0 7131 400 4.3326821e-11 4.1204968e-11 2.1218532e-12 -number of iterations: 5000 -maxz = 3.297781e-04 -S-sub-bulk = 4.850657e-03 -S-sub-base = 7.835795e-05 -S-nh4-bulk = 3.940568e-04 -S-nh4-base = 1.247015e-04 - - 192097 1.1351659 7603 0.00031834453 0 7203 400 4.3697976e-11 4.1570631e-11 2.1273449e-12 -Loop time of 1.13518 on 4 procs for 1 steps with 7603 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 192097 0 7603 0.00031834453 0 7203 400 4.3697976e-11 4.1570631e-11 2.1273449e-12 - 192192 0.1486671 7603 0.00031985236 0 7203 400 4.3697976e-11 4.1570631e-11 2.1273449e-12 - 193193 1.2141089 7603 0.00032093307 0 7203 400 4.3697976e-11 4.1570631e-11 2.1273449e-12 - 194097 2.1297171 7603 0.00032177784 0 7203 400 4.3697976e-11 4.1570631e-11 2.1273449e-12 -Loop time of 2.12974 on 4 procs for 2000 steps with 7603 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 194097 0 7603 0.00032177784 0 7203 400 4.3697976e-11 4.1570631e-11 2.1273449e-12 -number of iterations: 535 -maxz = 3.334278e-04 -S-sub-bulk = 4.623723e-03 -S-sub-base = 7.789485e-05 -S-nh4-bulk = 3.948066e-04 -S-nh4-base = 1.245702e-04 - - 194098 0.12933087 7670 0.0003219112 0 7270 400 4.4086764e-11 4.1953906e-11 2.1328572e-12 -Loop time of 0.129345 on 4 procs for 1 steps with 7670 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 194098 0 7670 0.0003219112 0 7270 400 4.4086764e-11 4.1953906e-11 2.1328572e-12 - 194194 0.14767098 7670 0.00032294179 0 7270 400 4.4086764e-11 4.1953906e-11 2.1328572e-12 - 195195 1.2011971 7670 0.00032388843 0 7270 400 4.4086764e-11 4.1953906e-11 2.1328572e-12 - 196098 2.0973361 7670 0.00032438086 0 7270 400 4.4086764e-11 4.1953906e-11 2.1328572e-12 -Loop time of 2.09736 on 4 procs for 2000 steps with 7670 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 196098 0 7670 0.00032438086 0 7270 400 4.4086764e-11 4.1953906e-11 2.1328572e-12 -number of iterations: 5000 -maxz = 3.369398e-04 -S-sub-bulk = 4.870257e-03 -S-sub-base = 7.581482e-05 -S-nh4-bulk = 3.976098e-04 -S-nh4-base = 1.233629e-04 - - 196099 1.1650329 7765 0.00032463972 0 7365 400 4.4433961e-11 4.2295684e-11 2.1382767e-12 -Loop time of 1.16506 on 4 procs for 1 steps with 7765 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 196099 0 7765 0.00032463972 0 7365 400 4.4433961e-11 4.2295684e-11 2.1382767e-12 - 196196 0.16001296 7765 0.00032581581 0 7365 400 4.4433961e-11 4.2295684e-11 2.1382767e-12 - 197197 1.2215989 7765 0.0003266877 0 7365 400 4.4433961e-11 4.2295684e-11 2.1382767e-12 - 198099 2.126291 7765 0.00032711777 0 7365 400 4.4433961e-11 4.2295684e-11 2.1382767e-12 -Loop time of 2.12631 on 4 procs for 2000 steps with 7765 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 198099 0 7765 0.00032711777 0 7365 400 4.4433961e-11 4.2295684e-11 2.1382767e-12 -number of iterations: 5000 -maxz = 3.392476e-04 -S-sub-bulk = 4.880827e-03 -S-sub-base = 6.916618e-05 -S-nh4-bulk = 4.008194e-04 -S-nh4-base = 1.218465e-04 - - 198100 1.174551 7845 0.00032736075 0 7445 400 4.4794992e-11 4.2651349e-11 2.143643e-12 -Loop time of 1.17456 on 4 procs for 1 steps with 7845 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 198100 0 7845 0.00032736075 0 7445 400 4.4794992e-11 4.2651349e-11 2.143643e-12 - 198198 0.16040683 7845 0.00032853786 0 7445 400 4.4794992e-11 4.2651349e-11 2.143643e-12 - 199199 1.2461638 7845 0.00032913158 0 7445 400 4.4794992e-11 4.2651349e-11 2.143643e-12 - 200100 2.1577148 7845 0.00032985099 0 7445 400 4.4794992e-11 4.2651349e-11 2.143643e-12 -Loop time of 2.15774 on 4 procs for 2000 steps with 7845 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 200100 0 7845 0.00032985099 0 7445 400 4.4794992e-11 4.2651349e-11 2.143643e-12 -number of iterations: 1167 -maxz = 3.406328e-04 -S-sub-bulk = 4.700114e-03 -S-sub-base = 6.820478e-05 -S-nh4-bulk = 4.026617e-04 -S-nh4-base = 1.215541e-04 - - 200101 0.28182483 7926 0.00033006748 0 7526 400 4.517152e-11 4.3022504e-11 2.1490152e-12 -Loop time of 0.28184 on 4 procs for 1 steps with 7926 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 200101 0 7926 0.00033006748 0 7526 400 4.517152e-11 4.3022504e-11 2.1490152e-12 - 200200 0.16343904 7926 0.00033115386 0 7526 400 4.517152e-11 4.3022504e-11 2.1490152e-12 - 201201 1.274595 7926 0.00033205646 0 7526 400 4.517152e-11 4.3022504e-11 2.1490152e-12 - 202101 2.2179811 7926 0.00033272639 0 7526 400 4.517152e-11 4.3022504e-11 2.1490152e-12 -Loop time of 2.21801 on 4 procs for 2000 steps with 7926 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 202101 0 7926 0.00033272639 0 7526 400 4.517152e-11 4.3022504e-11 2.1490152e-12 -number of iterations: 5000 -maxz = 3.450561e-04 -S-sub-bulk = 4.940879e-03 -S-sub-base = 6.607048e-05 -S-nh4-bulk = 4.055541e-04 -S-nh4-base = 1.205419e-04 - - 202102 1.2019081 8001 0.0003328352 0 7601 400 4.5510316e-11 4.3355995e-11 2.1543207e-12 -Loop time of 1.20192 on 4 procs for 1 steps with 8001 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 202102 0 8001 0.0003328352 0 7601 400 4.5510316e-11 4.3355995e-11 2.1543207e-12 - 202202 0.163764 8001 0.00033408199 0 7601 400 4.5510316e-11 4.3355995e-11 2.1543207e-12 - 203203 1.2734051 8001 0.00033518657 0 7601 400 4.5510316e-11 4.3355995e-11 2.1543207e-12 - 204102 2.2279022 8001 0.00033566483 0 7601 400 4.5510316e-11 4.3355995e-11 2.1543207e-12 -Loop time of 2.22793 on 4 procs for 2000 steps with 8001 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 204102 0 8001 0.00033566483 0 7601 400 4.5510316e-11 4.3355995e-11 2.1543207e-12 -number of iterations: 5000 -maxz = 3.482068e-04 -S-sub-bulk = 4.933808e-03 -S-sub-base = 6.068651e-05 -S-nh4-bulk = 4.085995e-04 -S-nh4-base = 1.193037e-04 - - 204103 1.1999431 8065 0.00033596034 0 7665 400 4.5864277e-11 4.3704695e-11 2.1595816e-12 -Loop time of 1.19996 on 4 procs for 1 steps with 8065 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 204103 0 8065 0.00033596034 0 7665 400 4.5864277e-11 4.3704695e-11 2.1595816e-12 - 204204 0.16574812 8065 0.00033706998 0 7665 400 4.5864277e-11 4.3704695e-11 2.1595816e-12 - 205205 1.2889171 8065 0.00033810844 0 7665 400 4.5864277e-11 4.3704695e-11 2.1595816e-12 - 206103 2.2493341 8065 0.00033886571 0 7665 400 4.5864277e-11 4.3704695e-11 2.1595816e-12 -Loop time of 2.24936 on 4 procs for 2000 steps with 8065 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 206103 0 8065 0.00033886571 0 7665 400 4.5864277e-11 4.3704695e-11 2.1595816e-12 -number of iterations: 1118 -maxz = 3.519515e-04 -S-sub-bulk = 4.725481e-03 -S-sub-base = 5.988829e-05 -S-nh4-bulk = 4.101626e-04 -S-nh4-base = 1.190838e-04 - - 206104 0.27945185 8140 0.00033916797 0 7740 400 4.6235171e-11 4.4070317e-11 2.1648544e-12 -Loop time of 0.279467 on 4 procs for 1 steps with 8140 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 206104 0 8140 0.00033916797 0 7740 400 4.6235171e-11 4.4070317e-11 2.1648544e-12 - 206206 0.16966701 8140 0.00034031846 0 7740 400 4.6235171e-11 4.4070317e-11 2.1648544e-12 - 207207 1.2886839 8140 0.00034131073 0 7740 400 4.6235171e-11 4.4070317e-11 2.1648544e-12 - 208104 2.208626 8140 0.00034173961 0 7740 400 4.6235171e-11 4.4070317e-11 2.1648544e-12 -Loop time of 2.20865 on 4 procs for 2000 steps with 8140 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 208104 0 8140 0.00034173961 0 7740 400 4.6235171e-11 4.4070317e-11 2.1648544e-12 -number of iterations: 5000 -maxz = 3.585620e-04 -S-sub-bulk = 4.967634e-03 -S-sub-base = 5.816872e-05 -S-nh4-bulk = 4.127262e-04 -S-nh4-base = 1.182374e-04 - - 208105 1.2315111 8233 0.00034196434 0 7833 400 4.656633e-11 4.4396265e-11 2.1700653e-12 -Loop time of 1.23153 on 4 procs for 1 steps with 8233 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 208105 0 8233 0.00034196434 0 7833 400 4.656633e-11 4.4396265e-11 2.1700653e-12 - 208208 0.17376184 8233 0.00034319166 0 7833 400 4.656633e-11 4.4396265e-11 2.1700653e-12 - 209209 1.315145 8233 0.00034402465 0 7833 400 4.656633e-11 4.4396265e-11 2.1700653e-12 - 210105 2.2581871 8233 0.00034463981 0 7833 400 4.656633e-11 4.4396265e-11 2.1700653e-12 -Loop time of 2.25821 on 4 procs for 2000 steps with 8233 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 210105 0 8233 0.00034463981 0 7833 400 4.656633e-11 4.4396265e-11 2.1700653e-12 -number of iterations: 5000 -maxz = 3.596808e-04 -S-sub-bulk = 4.981323e-03 -S-sub-base = 5.342722e-05 -S-nh4-bulk = 4.155215e-04 -S-nh4-base = 1.171282e-04 - - 210106 1.2335939 8300 0.00034483245 0 7900 400 4.6910841e-11 4.4735609e-11 2.1752322e-12 -Loop time of 1.23361 on 4 procs for 1 steps with 8300 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 210106 0 8300 0.00034483245 0 7900 400 4.6910841e-11 4.4735609e-11 2.1752322e-12 - 210210 0.17920089 8300 0.00034591583 0 7900 400 4.6910841e-11 4.4735609e-11 2.1752322e-12 - 211211 1.300916 8300 0.00034678155 0 7900 400 4.6910841e-11 4.4735609e-11 2.1752322e-12 - 212106 2.263716 8300 0.00034737374 0 7900 400 4.6910841e-11 4.4735609e-11 2.1752322e-12 -Loop time of 2.26374 on 4 procs for 2000 steps with 8300 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 212106 0 8300 0.00034737374 0 7900 400 4.6910841e-11 4.4735609e-11 2.1752322e-12 -number of iterations: 1646 -maxz = 3.599441e-04 -S-sub-bulk = 4.796568e-03 -S-sub-base = 5.234797e-05 -S-nh4-bulk = 4.170646e-04 -S-nh4-base = 1.168090e-04 - - 212107 0.41472483 8371 0.0003474559 0 7971 400 4.7271555e-11 4.509115e-11 2.1804055e-12 -Loop time of 0.414741 on 4 procs for 1 steps with 8371 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 212107 0 8371 0.0003474559 0 7971 400 4.7271555e-11 4.509115e-11 2.1804055e-12 - 212212 0.17059398 8371 0.00034871756 0 7971 400 4.7271555e-11 4.509115e-11 2.1804055e-12 - 213213 1.308054 8371 0.00034969041 0 7971 400 4.7271555e-11 4.509115e-11 2.1804055e-12 - 214107 2.2760971 8371 0.00035019223 0 7971 400 4.7271555e-11 4.509115e-11 2.1804055e-12 -Loop time of 2.27612 on 4 procs for 2000 steps with 8371 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 214107 0 8371 0.00035019223 0 7971 400 4.7271555e-11 4.509115e-11 2.1804055e-12 -number of iterations: 3299 -maxz = 3.625698e-04 -S-sub-bulk = 4.604226e-03 -S-sub-base = 5.146103e-05 -S-nh4-bulk = 4.176535e-04 -S-nh4-base = 1.163385e-04 - - 214108 0.82121515 8436 0.00035041516 0 8036 400 4.7635329e-11 4.5449743e-11 2.1855868e-12 -Loop time of 0.82123 on 4 procs for 1 steps with 8436 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 214108 0 8436 0.00035041516 0 8036 400 4.7635329e-11 4.5449743e-11 2.1855868e-12 - 214214 0.1786778 8436 0.00035147252 0 8036 400 4.7635329e-11 4.5449743e-11 2.1855868e-12 - 215215 1.3236198 8436 0.00035219175 0 8036 400 4.7635329e-11 4.5449743e-11 2.1855868e-12 - 216108 2.293453 8436 0.00035265851 0 8036 400 4.7635329e-11 4.5449743e-11 2.1855868e-12 -Loop time of 2.29348 on 4 procs for 2000 steps with 8436 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 216108 0 8436 0.00035265851 0 8036 400 4.7635329e-11 4.5449743e-11 2.1855868e-12 -number of iterations: 5000 -maxz = 3.672072e-04 -S-sub-bulk = 4.931841e-03 -S-sub-base = 4.993196e-05 -S-nh4-bulk = 4.191207e-04 -S-nh4-base = 1.158945e-04 - - 216109 1.272918 8515 0.00035283399 0 8115 400 4.7952458e-11 4.5761738e-11 2.1907198e-12 -Loop time of 1.27293 on 4 procs for 1 steps with 8515 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 216109 0 8515 0.00035283399 0 8115 400 4.7952458e-11 4.5761738e-11 2.1907198e-12 - 216216 0.18824983 8515 0.0003541914 0 8115 400 4.7952458e-11 4.5761738e-11 2.1907198e-12 - 217217 1.3727539 8515 0.00035523332 0 8115 400 4.7952458e-11 4.5761738e-11 2.1907198e-12 - 218109 2.357553 8515 0.00035600166 0 8115 400 4.7952458e-11 4.5761738e-11 2.1907198e-12 -Loop time of 2.35758 on 4 procs for 2000 steps with 8515 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 218109 0 8515 0.00035600166 0 8115 400 4.7952458e-11 4.5761738e-11 2.1907198e-12 -number of iterations: 5000 -maxz = 3.690059e-04 -S-sub-bulk = 4.935745e-03 -S-sub-base = 4.518297e-05 -S-nh4-bulk = 4.212883e-04 -S-nh4-base = 1.149173e-04 - - 218110 1.274524 8581 0.00035619793 0 8181 400 4.828987e-11 4.6094068e-11 2.1958026e-12 -Loop time of 1.27454 on 4 procs for 1 steps with 8581 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 218110 0 8581 0.00035619793 0 8181 400 4.828987e-11 4.6094068e-11 2.1958026e-12 - 218218 0.19174194 8581 0.00035709797 0 8181 400 4.828987e-11 4.6094068e-11 2.1958026e-12 - 219219 1.389034 8581 0.00035793432 0 8181 400 4.828987e-11 4.6094068e-11 2.1958026e-12 - 220110 2.4233301 8581 0.00035881007 0 8181 400 4.828987e-11 4.6094068e-11 2.1958026e-12 -Loop time of 2.42335 on 4 procs for 2000 steps with 8581 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 220110 0 8581 0.00035881007 0 8181 400 4.828987e-11 4.6094068e-11 2.1958026e-12 -number of iterations: 1737 -maxz = 3.722672e-04 -S-sub-bulk = 4.732692e-03 -S-sub-base = 4.414244e-05 -S-nh4-bulk = 4.225355e-04 -S-nh4-base = 1.145772e-04 - - 220111 0.44737387 8653 0.00035900355 0 8253 400 4.8644576e-11 4.644369e-11 2.200886e-12 -Loop time of 0.447387 on 4 procs for 1 steps with 8653 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 220111 0 8653 0.00035900355 0 8253 400 4.8644576e-11 4.644369e-11 2.200886e-12 - 220220 0.19130802 8653 0.00036036997 0 8253 400 4.8644576e-11 4.644369e-11 2.200886e-12 - 221221 1.398454 8653 0.00036123482 0 8253 400 4.8644576e-11 4.644369e-11 2.200886e-12 - 222111 2.4190049 8653 0.0003619333 0 8253 400 4.8644576e-11 4.644369e-11 2.200886e-12 -Loop time of 2.41903 on 4 procs for 2000 steps with 8653 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 222111 0 8653 0.0003619333 0 8253 400 4.8644576e-11 4.644369e-11 2.200886e-12 -number of iterations: 5000 -maxz = 3.757016e-04 -S-sub-bulk = 4.953852e-03 -S-sub-base = 4.320235e-05 -S-nh4-bulk = 4.249323e-04 -S-nh4-base = 1.137071e-04 - - 222112 1.3059471 8713 0.00036204533 0 8313 400 4.8961999e-11 4.6756094e-11 2.2059055e-12 -Loop time of 1.30596 on 4 procs for 1 steps with 8713 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 222112 0 8713 0.00036204533 0 8313 400 4.8961999e-11 4.6756094e-11 2.2059055e-12 - 222222 0.18595695 8713 0.00036327848 0 8313 400 4.8961999e-11 4.6756094e-11 2.2059055e-12 - 223223 1.4005959 8713 0.00036366754 0 8313 400 4.8961999e-11 4.6756094e-11 2.2059055e-12 - 224112 2.403543 8713 0.00036411577 0 8313 400 4.8961999e-11 4.6756094e-11 2.2059055e-12 -Loop time of 2.40357 on 4 procs for 2000 steps with 8713 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 224112 0 8713 0.00036411577 0 8313 400 4.8961999e-11 4.6756094e-11 2.2059055e-12 -number of iterations: 5000 -maxz = 3.771728e-04 -S-sub-bulk = 4.967313e-03 -S-sub-base = 4.019959e-05 -S-nh4-bulk = 4.281441e-04 -S-nh4-base = 1.125451e-04 - - 224113 1.300585 8800 0.00036436067 0 8400 400 4.9291408e-11 4.7080546e-11 2.2108621e-12 -Loop time of 1.30061 on 4 procs for 1 steps with 8800 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 224113 0 8800 0.00036436067 0 8400 400 4.9291408e-11 4.7080546e-11 2.2108621e-12 - 224224 0.19668198 8800 0.00036583053 0 8400 400 4.9291408e-11 4.7080546e-11 2.2108621e-12 - 225225 1.404155 8800 0.00036658977 0 8400 400 4.9291408e-11 4.7080546e-11 2.2108621e-12 - 226113 2.421279 8800 0.00036732438 0 8400 400 4.9291408e-11 4.7080546e-11 2.2108621e-12 -Loop time of 2.4213 on 4 procs for 2000 steps with 8800 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 226113 0 8800 0.00036732438 0 8400 400 4.9291408e-11 4.7080546e-11 2.2108621e-12 -number of iterations: 2074 -maxz = 3.816276e-04 -S-sub-bulk = 4.781132e-03 -S-sub-base = 3.915901e-05 -S-nh4-bulk = 4.302806e-04 -S-nh4-base = 1.121142e-04 - - 226114 0.54990292 8867 0.00036740508 0 8467 400 4.9637229e-11 4.7421414e-11 2.2158154e-12 -Loop time of 0.549918 on 4 procs for 1 steps with 8867 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 226114 0 8867 0.00036740508 0 8467 400 4.9637229e-11 4.7421414e-11 2.2158154e-12 - 226226 0.19155407 8867 0.00036857991 0 8467 400 4.9637229e-11 4.7421414e-11 2.2158154e-12 - 227227 1.4036431 8867 0.00036967617 0 8467 400 4.9637229e-11 4.7421414e-11 2.2158154e-12 - 228114 2.4560611 8867 0.00037056724 0 8467 400 4.9637229e-11 4.7421414e-11 2.2158154e-12 -Loop time of 2.45609 on 4 procs for 2000 steps with 8867 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 228114 0 8867 0.00037056724 0 8467 400 4.9637229e-11 4.7421414e-11 2.2158154e-12 -number of iterations: 5000 -maxz = 3.840339e-04 -S-sub-bulk = 5.000596e-03 -S-sub-base = 3.812204e-05 -S-nh4-bulk = 4.330511e-04 -S-nh4-base = 1.113102e-04 - - 228115 1.3292539 8932 0.00037069156 0 8532 400 4.9947165e-11 4.772645e-11 2.2207151e-12 -Loop time of 1.32927 on 4 procs for 1 steps with 8932 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 228115 0 8932 0.00037069156 0 8532 400 4.9947165e-11 4.772645e-11 2.2207151e-12 - 228228 0.19371486 8932 0.00037209879 0 8532 400 4.9947165e-11 4.772645e-11 2.2207151e-12 - 229229 1.4104249 8932 0.00037281199 0 8532 400 4.9947165e-11 4.772645e-11 2.2207151e-12 - 230115 2.417366 8932 0.00037333612 0 8532 400 4.9947165e-11 4.772645e-11 2.2207151e-12 -Loop time of 2.41739 on 4 procs for 2000 steps with 8932 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 230115 0 8932 0.00037333612 0 8532 400 4.9947165e-11 4.772645e-11 2.2207151e-12 -number of iterations: 5000 -maxz = 3.888942e-04 -S-sub-bulk = 5.013135e-03 -S-sub-base = 3.553054e-05 -S-nh4-bulk = 4.361187e-04 -S-nh4-base = 1.103551e-04 - - 230116 1.3384061 8992 0.00037354106 0 8592 400 5.0269123e-11 4.8043556e-11 2.2255674e-12 -Loop time of 1.33842 on 4 procs for 1 steps with 8992 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 230116 0 8992 0.00037354106 0 8592 400 5.0269123e-11 4.8043556e-11 2.2255674e-12 - 230230 0.20891023 8992 0.00037456728 0 8592 400 5.0269123e-11 4.8043556e-11 2.2255674e-12 - 231231 1.4562311 8992 0.00037541581 0 8592 400 5.0269123e-11 4.8043556e-11 2.2255674e-12 - 232116 2.4702902 8992 0.00037592314 0 8592 400 5.0269123e-11 4.8043556e-11 2.2255674e-12 -Loop time of 2.47032 on 4 procs for 2000 steps with 8992 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 232116 0 8992 0.00037592314 0 8592 400 5.0269123e-11 4.8043556e-11 2.2255674e-12 -number of iterations: 2241 -maxz = 3.908400e-04 -S-sub-bulk = 4.833286e-03 -S-sub-base = 3.453680e-05 -S-nh4-bulk = 4.381230e-04 -S-nh4-base = 1.099735e-04 - - 232117 0.60318613 9063 0.00037611893 0 8663 400 5.060688e-11 4.8376463e-11 2.2304176e-12 -Loop time of 0.603202 on 4 procs for 1 steps with 9063 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 232117 0 9063 0.00037611893 0 8663 400 5.060688e-11 4.8376463e-11 2.2304176e-12 - 232232 0.21566606 9063 0.00037735867 0 8663 400 5.060688e-11 4.8376463e-11 2.2304176e-12 - 233233 1.4339561 9063 0.00037786777 0 8663 400 5.060688e-11 4.8376463e-11 2.2304176e-12 - 234117 2.4642689 9063 0.00037843858 0 8663 400 5.060688e-11 4.8376463e-11 2.2304176e-12 -Loop time of 2.4643 on 4 procs for 2000 steps with 9063 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 234117 0 9063 0.00037843858 0 8663 400 5.060688e-11 4.8376463e-11 2.2304176e-12 -number of iterations: 5000 -maxz = 3.917881e-04 -S-sub-bulk = 5.068038e-03 -S-sub-base = 3.362375e-05 -S-nh4-bulk = 4.405316e-04 -S-nh4-base = 1.093416e-04 - - 234118 1.3604901 9155 0.00037858659 0 8755 400 5.0907812e-11 4.8672588e-11 2.2352241e-12 -Loop time of 1.36051 on 4 procs for 1 steps with 9155 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 234118 0 9155 0.00037858659 0 8755 400 5.0907812e-11 4.8672588e-11 2.2352241e-12 - 234234 0.22250509 9155 0.00037990798 0 8755 400 5.0907812e-11 4.8672588e-11 2.2352241e-12 - 235235 1.4996071 9155 0.00038082245 0 8755 400 5.0907812e-11 4.8672588e-11 2.2352241e-12 - 236118 2.55688 9155 0.00038125281 0 8755 400 5.0907812e-11 4.8672588e-11 2.2352241e-12 -Loop time of 2.5569 on 4 procs for 2000 steps with 9155 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 236118 0 9155 0.00038125281 0 8755 400 5.0907812e-11 4.8672588e-11 2.2352241e-12 -number of iterations: 5000 -maxz = 3.958508e-04 -S-sub-bulk = 5.074932e-03 -S-sub-base = 3.145726e-05 -S-nh4-bulk = 4.432077e-04 -S-nh4-base = 1.085241e-04 - - 236119 1.3690209 9235 0.00038154044 0 8835 400 5.1222423e-11 4.8982435e-11 2.239988e-12 -Loop time of 1.36904 on 4 procs for 1 steps with 9235 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 236119 0 9235 0.00038154044 0 8835 400 5.1222423e-11 4.8982435e-11 2.239988e-12 - 236236 0.21420097 9235 0.0003828476 0 8835 400 5.1222423e-11 4.8982435e-11 2.239988e-12 - 237237 1.4959989 9235 0.00038381182 0 8835 400 5.1222423e-11 4.8982435e-11 2.239988e-12 - 238119 2.582494 9235 0.00038457379 0 8835 400 5.1222423e-11 4.8982435e-11 2.239988e-12 -Loop time of 2.58252 on 4 procs for 2000 steps with 9235 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 238119 0 9235 0.00038457379 0 8835 400 5.1222423e-11 4.8982435e-11 2.239988e-12 -number of iterations: 2334 -maxz = 4.002904e-04 -S-sub-bulk = 4.887404e-03 -S-sub-base = 3.054199e-05 -S-nh4-bulk = 4.450392e-04 -S-nh4-base = 1.081451e-04 - - 238120 0.64869595 9307 0.00038474073 0 8907 400 5.1553212e-11 4.9308466e-11 2.244746e-12 -Loop time of 0.648709 on 4 procs for 1 steps with 9307 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 238120 0 9307 0.00038474073 0 8907 400 5.1553212e-11 4.9308466e-11 2.244746e-12 - 238238 0.20828605 9307 0.00038582614 0 8907 400 5.1553212e-11 4.9308466e-11 2.244746e-12 - 239239 1.4338951 9307 0.00038663425 0 8907 400 5.1553212e-11 4.9308466e-11 2.244746e-12 - 240120 2.4988999 9307 0.00038710738 0 8907 400 5.1553212e-11 4.9308466e-11 2.244746e-12 -Loop time of 2.49893 on 4 procs for 2000 steps with 9307 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 240120 0 9307 0.00038710738 0 8907 400 5.1553212e-11 4.9308466e-11 2.244746e-12 -number of iterations: 5000 -maxz = 4.018991e-04 -S-sub-bulk = 5.106181e-03 -S-sub-base = 2.978181e-05 -S-nh4-bulk = 4.473470e-04 -S-nh4-base = 1.075450e-04 - - 240121 1.3982201 9367 0.00038743866 0 8967 400 5.1848197e-11 4.9598738e-11 2.2494596e-12 -Loop time of 1.39824 on 4 procs for 1 steps with 9367 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 240121 0 9367 0.00038743866 0 8967 400 5.1848197e-11 4.9598738e-11 2.2494596e-12 - 240240 0.22755289 9367 0.00038852012 0 8967 400 5.1848197e-11 4.9598738e-11 2.2494596e-12 - 241241 1.4902041 9367 0.00038916459 0 8967 400 5.1848197e-11 4.9598738e-11 2.2494596e-12 - 242121 2.5209739 9367 0.00038947456 0 8967 400 5.1848197e-11 4.9598738e-11 2.2494596e-12 -Loop time of 2.521 on 4 procs for 2000 steps with 9367 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 242121 0 9367 0.00038947456 0 8967 400 5.1848197e-11 4.9598738e-11 2.2494596e-12 -number of iterations: 5000 -maxz = 4.033433e-04 -S-sub-bulk = 5.139831e-03 -S-sub-base = 2.798058e-05 -S-nh4-bulk = 4.500593e-04 -S-nh4-base = 1.067194e-04 - - 242122 1.3929851 9438 0.00038964648 0 9038 400 5.2153263e-11 4.9899136e-11 2.2541269e-12 -Loop time of 1.393 on 4 procs for 1 steps with 9438 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 242122 0 9438 0.00038964648 0 9038 400 5.2153263e-11 4.9899136e-11 2.2541269e-12 - 242242 0.21990108 9438 0.00039109896 0 9038 400 5.2153263e-11 4.9899136e-11 2.2541269e-12 - 243243 1.5230861 9438 0.00039194199 0 9038 400 5.2153263e-11 4.9899136e-11 2.2541269e-12 - 244122 2.594527 9438 0.00039243913 0 9038 400 5.2153263e-11 4.9899136e-11 2.2541269e-12 -Loop time of 2.59455 on 4 procs for 2000 steps with 9438 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 244122 0 9438 0.00039243913 0 9038 400 5.2153263e-11 4.9899136e-11 2.2541269e-12 -number of iterations: 2860 -maxz = 4.086139e-04 -S-sub-bulk = 4.982010e-03 -S-sub-base = 2.697013e-05 -S-nh4-bulk = 4.520603e-04 -S-nh4-base = 1.062802e-04 - - 244123 0.81028104 9522 0.00039266223 0 9122 400 5.2473616e-11 5.0214832e-11 2.2587836e-12 -Loop time of 0.810295 on 4 procs for 1 steps with 9522 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 244123 0 9522 0.00039266223 0 9122 400 5.2473616e-11 5.0214832e-11 2.2587836e-12 - 244244 0.23031807 9522 0.00039413119 0 9122 400 5.2473616e-11 5.0214832e-11 2.2587836e-12 - 245245 1.5477152 9522 0.00039502717 0 9122 400 5.2473616e-11 5.0214832e-11 2.2587836e-12 - 246123 2.6586862 9522 0.00039561238 0 9122 400 5.2473616e-11 5.0214832e-11 2.2587836e-12 -Loop time of 2.65871 on 4 procs for 2000 steps with 9522 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 246123 0 9522 0.00039561238 0 9122 400 5.2473616e-11 5.0214832e-11 2.2587836e-12 -number of iterations: 2199 -maxz = 4.105049e-04 -S-sub-bulk = 4.739793e-03 -S-sub-base = 2.658538e-05 -S-nh4-bulk = 4.531618e-04 -S-nh4-base = 1.059910e-04 - - 246124 0.62843204 9608 0.0003959535 0 9207 401 5.280386e-11 5.0540417e-11 2.263443e-12 -Loop time of 0.628447 on 4 procs for 1 steps with 9608 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 246124 0 9608 0.0003959535 0 9207 401 5.280386e-11 5.0540417e-11 2.263443e-12 - 246246 0.23824596 9608 0.00039725616 0 9207 401 5.280386e-11 5.0540417e-11 2.263443e-12 - 247247 1.5834131 9608 0.00039860036 0 9207 401 5.280386e-11 5.0540417e-11 2.263443e-12 - 248124 2.710422 9608 0.00039954063 0 9207 401 5.280386e-11 5.0540417e-11 2.263443e-12 -Loop time of 2.71045 on 4 procs for 2000 steps with 9608 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 248124 0 9608 0.00039954063 0 9207 401 5.280386e-11 5.0540417e-11 2.263443e-12 -number of iterations: 5000 -maxz = 4.126070e-04 -S-sub-bulk = 5.013255e-03 -S-sub-base = 2.618675e-05 -S-nh4-bulk = 4.546585e-04 -S-nh4-base = 1.055271e-04 - - 248125 1.4261012 9691 0.0003995981 0 9290 401 5.3089349e-11 5.082128e-11 2.2680681e-12 -Loop time of 1.42612 on 4 procs for 1 steps with 9691 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 248125 0 9691 0.0003995981 0 9290 401 5.3089349e-11 5.082128e-11 2.2680681e-12 - 248248 0.23348904 9691 0.00040058544 0 9290 401 5.3089349e-11 5.082128e-11 2.2680681e-12 - 249249 1.5681632 9691 0.00040162859 0 9290 401 5.3089349e-11 5.082128e-11 2.2680681e-12 - 250125 2.6631701 9691 0.00040243175 0 9290 401 5.3089349e-11 5.082128e-11 2.2680681e-12 -Loop time of 2.6632 on 4 procs for 2000 steps with 9691 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 250125 0 9691 0.00040243175 0 9290 401 5.3089349e-11 5.082128e-11 2.2680681e-12 -number of iterations: 5000 -maxz = 4.160322e-04 -S-sub-bulk = 5.044487e-03 -S-sub-base = 2.428510e-05 -S-nh4-bulk = 4.565671e-04 -S-nh4-base = 1.048701e-04 - - 250126 1.4285901 9758 0.00040252992 0 9357 401 5.3389001e-11 5.1116347e-11 2.2726545e-12 -Loop time of 1.4286 on 4 procs for 1 steps with 9758 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 250126 0 9758 0.00040252992 0 9357 401 5.3389001e-11 5.1116347e-11 2.2726545e-12 - 250250 0.23819613 9758 0.0004035473 0 9357 401 5.3389001e-11 5.1116347e-11 2.2726545e-12 - 251251 1.5411251 9758 0.00040474378 0 9357 401 5.3389001e-11 5.1116347e-11 2.2726545e-12 - 252126 2.630652 9758 0.00040569878 0 9357 401 5.3389001e-11 5.1116347e-11 2.2726545e-12 -Loop time of 2.63068 on 4 procs for 2000 steps with 9758 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 252126 0 9758 0.00040569878 0 9357 401 5.3389001e-11 5.1116347e-11 2.2726545e-12 -number of iterations: 3768 -maxz = 4.195428e-04 -S-sub-bulk = 4.864581e-03 -S-sub-base = 2.296512e-05 -S-nh4-bulk = 4.582054e-04 -S-nh4-base = 1.043244e-04 - - 252127 1.0832348 9828 0.00040575219 0 9427 401 5.3705888e-11 5.1428666e-11 2.2772223e-12 -Loop time of 1.08325 on 4 procs for 1 steps with 9828 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 252127 0 9828 0.00040575219 0 9427 401 5.3705888e-11 5.1428666e-11 2.2772223e-12 - 252252 0.23901391 9828 0.00040688306 0 9427 401 5.3705888e-11 5.1428666e-11 2.2772223e-12 - 253253 1.5478859 9828 0.00040772741 0 9427 401 5.3705888e-11 5.1428666e-11 2.2772223e-12 - 254127 2.6178279 9828 0.00040835521 0 9427 401 5.3705888e-11 5.1428666e-11 2.2772223e-12 -Loop time of 2.61786 on 4 procs for 2000 steps with 9828 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 254127 0 9828 0.00040835521 0 9427 401 5.3705888e-11 5.1428666e-11 2.2772223e-12 -number of iterations: 2908 -maxz = 4.213241e-04 -S-sub-bulk = 4.647362e-03 -S-sub-base = 2.259611e-05 -S-nh4-bulk = 4.591569e-04 -S-nh4-base = 1.039962e-04 - - 254128 0.84499002 9891 0.00040854364 0 9489 402 5.4028791e-11 5.1747003e-11 2.2817889e-12 -Loop time of 0.845005 on 4 procs for 1 steps with 9891 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 254128 0 9891 0.00040854364 0 9489 402 5.4028791e-11 5.1747003e-11 2.2817889e-12 - 254254 0.23680401 9891 0.00040991949 0 9489 402 5.4028791e-11 5.1747003e-11 2.2817889e-12 - 255255 1.48648 9891 0.00041057443 0 9489 402 5.4028791e-11 5.1747003e-11 2.2817889e-12 - 256128 2.5629542 9891 0.00041120138 0 9489 402 5.4028791e-11 5.1747003e-11 2.2817889e-12 -Loop time of 2.56298 on 4 procs for 2000 steps with 9891 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 256128 0 9891 0.00041120138 0 9489 402 5.4028791e-11 5.1747003e-11 2.2817889e-12 -number of iterations: 5000 -maxz = 4.256623e-04 -S-sub-bulk = 4.966179e-03 -S-sub-base = 2.231797e-05 -S-nh4-bulk = 4.604955e-04 -S-nh4-base = 1.035660e-04 - - 256129 1.4660511 9967 0.0004113738 0 9565 402 5.4304434e-11 5.2018112e-11 2.2863229e-12 -Loop time of 1.46607 on 4 procs for 1 steps with 9967 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 256129 0 9967 0.0004113738 0 9565 402 5.4304434e-11 5.2018112e-11 2.2863229e-12 - 256256 0.23806405 9967 0.00041260352 0 9565 402 5.4304434e-11 5.2018112e-11 2.2863229e-12 - 257257 1.529093 9967 0.00041336232 0 9565 402 5.4304434e-11 5.2018112e-11 2.2863229e-12 - 258129 2.614675 9967 0.00041421701 0 9565 402 5.4304434e-11 5.2018112e-11 2.2863229e-12 -Loop time of 2.6147 on 4 procs for 2000 steps with 9967 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 258129 0 9967 0.00041421701 0 9565 402 5.4304434e-11 5.2018112e-11 2.2863229e-12 -number of iterations: 5000 -maxz = 4.288860e-04 -S-sub-bulk = 4.982372e-03 -S-sub-base = 2.075109e-05 -S-nh4-bulk = 4.625238e-04 -S-nh4-base = 1.028869e-04 - - 258130 1.4676149 10036 0.00041429398 0 9633 403 5.4598861e-11 5.2308051e-11 2.2908098e-12 -Loop time of 1.46763 on 4 procs for 1 steps with 10036 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 258130 0 10036 0.00041429398 0 9633 403 5.4598861e-11 5.2308051e-11 2.2908098e-12 - 258258 0.24414706 10036 0.00041531491 0 9633 403 5.4598861e-11 5.2308051e-11 2.2908098e-12 - 259259 1.5065992 10036 0.00041596817 0 9633 403 5.4598861e-11 5.2308051e-11 2.2908098e-12 - 260130 2.5908351 10036 0.00041661394 0 9633 403 5.4598861e-11 5.2308051e-11 2.2908098e-12 -Loop time of 2.59086 on 4 procs for 2000 steps with 10036 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 260130 0 10036 0.00041661394 0 9633 403 5.4598861e-11 5.2308051e-11 2.2908098e-12 -number of iterations: 3584 -maxz = 4.314777e-04 -S-sub-bulk = 4.799640e-03 -S-sub-base = 1.968395e-05 -S-nh4-bulk = 4.643078e-04 -S-nh4-base = 1.023699e-04 - - 260131 1.0595999 10108 0.00041672936 0 9702 406 5.4909776e-11 5.26145e-11 2.2952762e-12 -Loop time of 1.05961 on 4 procs for 1 steps with 10108 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 260131 0 10108 0.00041672936 0 9702 406 5.4909776e-11 5.26145e-11 2.2952762e-12 - 260260 0.23453903 10108 0.00041811759 0 9702 406 5.4909776e-11 5.26145e-11 2.2952762e-12 - 261261 1.595232 10108 0.00041963731 0 9702 406 5.4909776e-11 5.26145e-11 2.2952762e-12 - 262131 2.723134 10108 0.00042050809 0 9702 406 5.4909776e-11 5.26145e-11 2.2952762e-12 -Loop time of 2.72316 on 4 procs for 2000 steps with 10108 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 262131 0 10108 0.00042050809 0 9702 406 5.4909776e-11 5.26145e-11 2.2952762e-12 -number of iterations: 5000 -maxz = 4.342441e-04 -S-sub-bulk = 4.985272e-03 -S-sub-base = 1.927854e-05 -S-nh4-bulk = 4.665908e-04 -S-nh4-base = 1.017483e-04 - - 262132 1.499573 10181 0.00042066081 0 9775 406 5.5188475e-11 5.2888777e-11 2.2996983e-12 -Loop time of 1.49959 on 4 procs for 1 steps with 10181 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 262132 0 10181 0.00042066081 0 9775 406 5.5188475e-11 5.2888777e-11 2.2996983e-12 - 262262 0.25007796 10181 0.00042222549 0 9775 406 5.5188475e-11 5.2888777e-11 2.2996983e-12 - 263263 1.5881279 10181 0.00042304913 0 9775 406 5.5188475e-11 5.2888777e-11 2.2996983e-12 - 264132 2.7141719 10181 0.00042378436 0 9775 406 5.5188475e-11 5.2888777e-11 2.2996983e-12 -Loop time of 2.7142 on 4 procs for 2000 steps with 10181 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 264132 0 10181 0.00042378436 0 9775 406 5.5188475e-11 5.2888777e-11 2.2996983e-12 -number of iterations: 5000 -maxz = 4.362768e-04 -S-sub-bulk = 4.962117e-03 -S-sub-base = 1.844887e-05 -S-nh4-bulk = 4.693902e-04 -S-nh4-base = 1.010295e-04 - - 264133 1.499217 10244 0.00042401077 0 9836 408 5.5480419e-11 5.3176348e-11 2.3040708e-12 -Loop time of 1.49923 on 4 procs for 1 steps with 10244 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 264133 0 10244 0.00042401077 0 9836 408 5.5480419e-11 5.3176348e-11 2.3040708e-12 - 264264 0.25535202 10244 0.00042527615 0 9836 408 5.5480419e-11 5.3176348e-11 2.3040708e-12 - 265265 1.5285869 10244 0.00042591045 0 9836 408 5.5480419e-11 5.3176348e-11 2.3040708e-12 - 266133 2.590549 10244 0.00042647614 0 9836 408 5.5480419e-11 5.3176348e-11 2.3040708e-12 -Loop time of 2.59058 on 4 procs for 2000 steps with 10244 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 266133 0 10244 0.00042647614 0 9836 408 5.5480419e-11 5.3176348e-11 2.3040708e-12 -number of iterations: 3246 -maxz = 4.393440e-04 -S-sub-bulk = 4.795380e-03 -S-sub-base = 1.773389e-05 -S-nh4-bulk = 4.716971e-04 -S-nh4-base = 1.005236e-04 - - 266134 0.98597693 10323 0.00042657226 0 9913 410 5.5784627e-11 5.3476203e-11 2.3084248e-12 -Loop time of 0.985991 on 4 procs for 1 steps with 10323 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 266134 0 10323 0.00042657226 0 9913 410 5.5784627e-11 5.3476203e-11 2.3084248e-12 - 266266 0.25300097 10323 0.00042783402 0 9913 410 5.5784627e-11 5.3476203e-11 2.3084248e-12 - 267267 1.5716939 10323 0.00042896632 0 9913 410 5.5784627e-11 5.3476203e-11 2.3084248e-12 - 268134 2.63679 10323 0.00042939936 0 9913 410 5.5784627e-11 5.3476203e-11 2.3084248e-12 -Loop time of 2.63682 on 4 procs for 2000 steps with 10323 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 268134 0 10323 0.00042939936 0 9913 410 5.5784627e-11 5.3476203e-11 2.3084248e-12 -number of iterations: 3532 -maxz = 4.451191e-04 -S-sub-bulk = 4.624889e-03 -S-sub-base = 1.734687e-05 -S-nh4-bulk = 4.733480e-04 -S-nh4-base = 1.000866e-04 - - 268135 1.0726671 10410 0.00042966993 0 10000 410 5.6091426e-11 5.3778656e-11 2.3127706e-12 -Loop time of 1.07268 on 4 procs for 1 steps with 10410 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 268135 0 10410 0.00042966993 0 10000 410 5.6091426e-11 5.3778656e-11 2.3127706e-12 - 268268 0.25927711 10410 0.00043093751 0 10000 410 5.6091426e-11 5.3778656e-11 2.3127706e-12 - 269269 1.5480542 10410 0.00043177206 0 10000 410 5.6091426e-11 5.3778656e-11 2.3127706e-12 - 270135 2.6305542 10410 0.0004324576 0 10000 410 5.6091426e-11 5.3778656e-11 2.3127706e-12 -Loop time of 2.63058 on 4 procs for 2000 steps with 10410 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 270135 0 10410 0.0004324576 0 10000 410 5.6091426e-11 5.3778656e-11 2.3127706e-12 -number of iterations: 5000 -maxz = 4.479763e-04 -S-sub-bulk = 4.929457e-03 -S-sub-base = 1.698345e-05 -S-nh4-bulk = 4.749904e-04 -S-nh4-base = 9.963807e-05 - - 270136 1.5384519 10491 0.00043262337 0 10080 411 5.6355663e-11 5.4038571e-11 2.3170919e-12 -Loop time of 1.53847 on 4 procs for 1 steps with 10491 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 270136 0 10491 0.00043262337 0 10080 411 5.6355663e-11 5.4038571e-11 2.3170919e-12 - 270270 0.25584412 10491 0.00043398496 0 10080 411 5.6355663e-11 5.4038571e-11 2.3170919e-12 - 271271 1.5390961 10491 0.0004344805 0 10080 411 5.6355663e-11 5.4038571e-11 2.3170919e-12 - 272136 2.5766752 10491 0.00043501345 0 10080 411 5.6355663e-11 5.4038571e-11 2.3170919e-12 -Loop time of 2.5767 on 4 procs for 2000 steps with 10491 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 272136 0 10491 0.00043501345 0 10080 411 5.6355663e-11 5.4038571e-11 2.3170919e-12 -number of iterations: 5000 -maxz = 4.495628e-04 -S-sub-bulk = 4.939466e-03 -S-sub-base = 1.588850e-05 -S-nh4-bulk = 4.771321e-04 -S-nh4-base = 9.908179e-05 - - 272137 1.54322 10558 0.00043518118 0 10147 411 5.6638357e-11 5.4316987e-11 2.3213706e-12 -Loop time of 1.54323 on 4 procs for 1 steps with 10558 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 272137 0 10558 0.00043518118 0 10147 411 5.6638357e-11 5.4316987e-11 2.3213706e-12 - 272272 0.25064707 10558 0.00043701845 0 10147 411 5.6638357e-11 5.4316987e-11 2.3213706e-12 - 273273 1.595391 10558 0.00043784157 0 10147 411 5.6638357e-11 5.4316987e-11 2.3213706e-12 - 274137 2.664911 10558 0.00043817081 0 10147 411 5.6638357e-11 5.4316987e-11 2.3213706e-12 -Loop time of 2.66494 on 4 procs for 2000 steps with 10558 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 274137 0 10558 0.00043817081 0 10147 411 5.6638357e-11 5.4316987e-11 2.3213706e-12 -number of iterations: 3859 -maxz = 4.518552e-04 -S-sub-bulk = 4.749268e-03 -S-sub-base = 1.500602e-05 -S-nh4-bulk = 4.790433e-04 -S-nh4-base = 9.855283e-05 - - 274138 1.1889009 10637 0.00043825791 0 10224 413 5.6937893e-11 5.4612265e-11 2.3256278e-12 -Loop time of 1.18891 on 4 procs for 1 steps with 10637 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 274138 0 10637 0.00043825791 0 10224 413 5.6937893e-11 5.4612265e-11 2.3256278e-12 - 274274 0.24176598 10637 0.00043948174 0 10224 413 5.6937893e-11 5.4612265e-11 2.3256278e-12 - 275275 1.574903 10637 0.00044043593 0 10224 413 5.6937893e-11 5.4612265e-11 2.3256278e-12 - 276138 2.6582222 10637 0.00044104987 0 10224 413 5.6937893e-11 5.4612265e-11 2.3256278e-12 -Loop time of 2.65826 on 4 procs for 2000 steps with 10637 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 276138 0 10637 0.00044104987 0 10224 413 5.6937893e-11 5.4612265e-11 2.3256278e-12 -number of iterations: 5000 -maxz = 4.537882e-04 -S-sub-bulk = 4.975519e-03 -S-sub-base = 1.465445e-05 -S-nh4-bulk = 4.813043e-04 -S-nh4-base = 9.802255e-05 - - 276139 1.5705729 10727 0.00044116966 0 10313 414 5.7200936e-11 5.4871091e-11 2.3298454e-12 -Loop time of 1.57059 on 4 procs for 1 steps with 10727 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 276139 0 10727 0.00044116966 0 10313 414 5.7200936e-11 5.4871091e-11 2.3298454e-12 - 276276 0.24485207 10727 0.00044225729 0 10313 414 5.7200936e-11 5.4871091e-11 2.3298454e-12 - 277277 1.5930049 10727 0.00044307592 0 10313 414 5.7200936e-11 5.4871091e-11 2.3298454e-12 - 278139 2.6696301 10727 0.00044353784 0 10313 414 5.7200936e-11 5.4871091e-11 2.3298454e-12 -Loop time of 2.66966 on 4 procs for 2000 steps with 10727 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 278139 0 10727 0.00044353784 0 10313 414 5.7200936e-11 5.4871091e-11 2.3298454e-12 -number of iterations: 5000 -maxz = 4.577393e-04 -S-sub-bulk = 4.979839e-03 -S-sub-base = 1.407416e-05 -S-nh4-bulk = 4.838440e-04 -S-nh4-base = 9.741134e-05 - - 278140 1.5670428 10785 0.00044369927 0 10371 414 5.7477557e-11 5.5143534e-11 2.3340228e-12 -Loop time of 1.56706 on 4 procs for 1 steps with 10785 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 278140 0 10785 0.00044369927 0 10371 414 5.7477557e-11 5.5143534e-11 2.3340228e-12 - 278278 0.2479341 10785 0.00044513583 0 10371 414 5.7477557e-11 5.5143534e-11 2.3340228e-12 - 279279 1.5596139 10785 0.00044587778 0 10371 414 5.7477557e-11 5.5143534e-11 2.3340228e-12 - 280140 2.669781 10785 0.00044656041 0 10371 414 5.7477557e-11 5.5143534e-11 2.3340228e-12 -Loop time of 2.66981 on 4 procs for 2000 steps with 10785 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 280140 0 10785 0.00044656041 0 10371 414 5.7477557e-11 5.5143534e-11 2.3340228e-12 -number of iterations: 3685 -maxz = 4.610085e-04 -S-sub-bulk = 4.801615e-03 -S-sub-base = 1.342359e-05 -S-nh4-bulk = 4.862154e-04 -S-nh4-base = 9.688032e-05 - - 280141 1.2575669 10845 0.00044677278 0 10431 414 5.7769527e-11 5.5431354e-11 2.338173e-12 -Loop time of 1.25758 on 4 procs for 1 steps with 10845 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 280141 0 10845 0.00044677278 0 10431 414 5.7769527e-11 5.5431354e-11 2.338173e-12 - 280280 0.27467489 10845 0.00044801507 0 10431 414 5.7769527e-11 5.5431354e-11 2.338173e-12 - 281281 1.6887131 10845 0.00044867105 0 10431 414 5.7769527e-11 5.5431354e-11 2.338173e-12 - 282141 2.819021 10845 0.00044919329 0 10431 414 5.7769527e-11 5.5431354e-11 2.338173e-12 -Loop time of 2.81905 on 4 procs for 2000 steps with 10845 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 282141 0 10845 0.00044919329 0 10431 414 5.7769527e-11 5.5431354e-11 2.338173e-12 -number of iterations: 5000 -maxz = 4.638056e-04 -S-sub-bulk = 5.035600e-03 -S-sub-base = 1.305664e-05 -S-nh4-bulk = 4.886521e-04 -S-nh4-base = 9.634398e-05 - - 282142 1.7306938 10934 0.00044959989 0 10519 415 5.8025163e-11 5.5682873e-11 2.3422898e-12 -Loop time of 1.73071 on 4 procs for 1 steps with 10934 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 282142 0 10934 0.00044959989 0 10519 415 5.8025163e-11 5.5682873e-11 2.3422898e-12 - 282282 0.27495003 10934 0.00045096877 0 10519 415 5.8025163e-11 5.5682873e-11 2.3422898e-12 - 283283 1.7058721 10934 0.00045177081 0 10519 415 5.8025163e-11 5.5682873e-11 2.3422898e-12 - 284142 2.856863 10934 0.00045225959 0 10519 415 5.8025163e-11 5.5682873e-11 2.3422898e-12 -Loop time of 2.85689 on 4 procs for 2000 steps with 10934 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 284142 0 10934 0.00045225959 0 10519 415 5.8025163e-11 5.5682873e-11 2.3422898e-12 -number of iterations: 5000 -maxz = 4.653984e-04 -S-sub-bulk = 5.042881e-03 -S-sub-base = 1.252361e-05 -S-nh4-bulk = 4.914321e-04 -S-nh4-base = 9.581552e-05 - - 284143 1.812686 11000 0.00045237751 0 10585 415 5.829468e-11 5.5948317e-11 2.3463628e-12 -Loop time of 1.8127 on 4 procs for 1 steps with 11000 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 284143 0 11000 0.00045237751 0 10585 415 5.829468e-11 5.5948317e-11 2.3463628e-12 - 284284 0.36235309 11000 0.00045352291 0 10585 415 5.829468e-11 5.5948317e-11 2.3463628e-12 - 285285 1.7924211 11000 0.00045425423 0 10585 415 5.829468e-11 5.5948317e-11 2.3463628e-12 - 286143 2.920423 11000 0.00045508369 0 10585 415 5.829468e-11 5.5948317e-11 2.3463628e-12 -Loop time of 2.92045 on 4 procs for 2000 steps with 11000 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 286143 0 11000 0.00045508369 0 10585 415 5.829468e-11 5.5948317e-11 2.3463628e-12 -number of iterations: 3864 -maxz = 4.689804e-04 -S-sub-bulk = 4.863156e-03 -S-sub-base = 1.192234e-05 -S-nh4-bulk = 4.940651e-04 -S-nh4-base = 9.530033e-05 - - 286144 1.2320719 11060 0.00045536485 0 10645 415 5.8579938e-11 5.6229532e-11 2.3504059e-12 -Loop time of 1.23209 on 4 procs for 1 steps with 11060 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 286144 0 11060 0.00045536485 0 10645 415 5.8579938e-11 5.6229532e-11 2.3504059e-12 - 286286 0.25830388 11060 0.00045669768 0 10645 415 5.8579938e-11 5.6229532e-11 2.3504059e-12 - 287287 1.593277 11060 0.00045741203 0 10645 415 5.8579938e-11 5.6229532e-11 2.3504059e-12 - 288144 2.703789 11060 0.00045796481 0 10645 415 5.8579938e-11 5.6229532e-11 2.3504059e-12 -Loop time of 2.70382 on 4 procs for 2000 steps with 11060 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 288144 0 11060 0.00045796481 0 10645 415 5.8579938e-11 5.6229532e-11 2.3504059e-12 -number of iterations: 2996 -maxz = 4.706171e-04 -S-sub-bulk = 4.660197e-03 -S-sub-base = 1.167794e-05 -S-nh4-bulk = 4.962178e-04 -S-nh4-base = 9.495267e-05 - - 288145 0.95817089 11130 0.00045820136 0 10715 415 5.8870068e-11 5.6515635e-11 2.3544325e-12 -Loop time of 0.958186 on 4 procs for 1 steps with 11130 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 288145 0 11130 0.00045820136 0 10715 415 5.8870068e-11 5.6515635e-11 2.3544325e-12 - 288288 0.25939012 11130 0.00045967802 0 10715 415 5.8870068e-11 5.6515635e-11 2.3544325e-12 - 289289 1.60602 11130 0.00046073737 0 10715 415 5.8870068e-11 5.6515635e-11 2.3544325e-12 - 290145 2.730407 11130 0.00046121426 0 10715 415 5.8870068e-11 5.6515635e-11 2.3544325e-12 -Loop time of 2.73044 on 4 procs for 2000 steps with 11130 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 290145 0 11130 0.00046121426 0 10715 415 5.8870068e-11 5.6515635e-11 2.3544325e-12 -number of iterations: 5000 -maxz = 4.745053e-04 -S-sub-bulk = 4.971611e-03 -S-sub-base = 1.151661e-05 -S-nh4-bulk = 4.982327e-04 -S-nh4-base = 9.455636e-05 - - 290146 1.6212211 11207 0.00046144171 0 10792 415 5.9114849e-11 5.6756413e-11 2.3584353e-12 -Loop time of 1.62124 on 4 procs for 1 steps with 11207 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 290146 0 11207 0.00046144171 0 10792 415 5.9114849e-11 5.6756413e-11 2.3584353e-12 - 290290 0.2837379 11207 0.00046267718 0 10792 415 5.9114849e-11 5.6756413e-11 2.3584353e-12 - 291291 1.6749909 11207 0.00046370786 0 10792 415 5.9114849e-11 5.6756413e-11 2.3584353e-12 - 292146 2.83427 11207 0.00046434656 0 10792 415 5.9114849e-11 5.6756413e-11 2.3584353e-12 -Loop time of 2.8343 on 4 procs for 2000 steps with 11207 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 292146 0 11207 0.00046434656 0 10792 415 5.9114849e-11 5.6756413e-11 2.3584353e-12 -number of iterations: 5000 -maxz = 4.766810e-04 -S-sub-bulk = 4.988674e-03 -S-sub-base = 1.093295e-05 -S-nh4-bulk = 5.003473e-04 -S-nh4-base = 9.419607e-05 - - 292147 1.6225121 11272 0.00046460256 0 10856 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.62253 on 4 procs for 1 steps with 11272 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 292147 0 11272 0.00046460256 0 10856 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 292292 0.27009416 11272 0.00046582642 0 10856 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 293293 1.6244161 11272 0.00046646834 0 10856 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 294147 2.741158 11272 0.00046699534 0 10856 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.74118 on 4 procs for 2000 steps with 11272 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 294147 0 11272 0.00046699534 0 10856 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 4828 -maxz = 4.790205e-04 -S-sub-bulk = 4.809145e-03 -S-sub-base = 1.017927e-05 -S-nh4-bulk = 5.023992e-04 -S-nh4-base = 9.372463e-05 - - 294148 1.567992 11353 0.00046722347 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.56801 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 294148 0 11353 0.00046722347 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 294294 0.27456808 11353 0.00046783302 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 295295 1.629528 11353 0.00046887268 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 296148 2.7303581 11353 0.00046950544 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.73039 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 296148 0 11353 0.00046950544 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 1942 -maxz = 4.813789e-04 -S-sub-bulk = 4.685629e-03 -S-sub-base = 1.001123e-05 -S-nh4-bulk = 5.043698e-04 -S-nh4-base = 9.355517e-05 - - 296149 0.63652802 11353 0.00046958689 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.636543 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 296149 0 11353 0.00046958689 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 296296 0.19723415 11353 0.00046957701 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 297297 1.4711311 11353 0.00047006995 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 298149 2.53775 11353 0.0004706763 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.53778 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 298149 0 11353 0.0004706763 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 5000 -maxz = 4.816096e-04 -S-sub-bulk = 5.080171e-03 -S-sub-base = 9.826264e-06 -S-nh4-bulk = 5.064270e-04 -S-nh4-base = 9.331598e-05 - - 298150 1.6528211 11353 0.00047068687 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.65284 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 298150 0 11353 0.00047068687 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 298298 0.18551111 11353 0.00047085307 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 299299 1.42891 11353 0.00047133257 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 300150 2.487154 11353 0.00047197964 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.48718 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 300150 0 11353 0.00047197964 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 5000 -maxz = 4.823900e-04 -S-sub-bulk = 5.177289e-03 -S-sub-base = 9.475965e-06 -S-nh4-bulk = 5.086971e-04 -S-nh4-base = 9.311773e-05 - - 300151 1.655355 11353 0.00047201483 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.65537 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 300151 0 11353 0.00047201483 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 300300 0.18010998 11353 0.00047212404 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 301301 1.4201472 11353 0.00047267612 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 302151 2.4678051 11353 0.00047317402 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.46783 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 302151 0 11353 0.00047317402 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 3200 -maxz = 4.834683e-04 -S-sub-bulk = 5.095229e-03 -S-sub-base = 9.104652e-06 -S-nh4-bulk = 5.107954e-04 -S-nh4-base = 9.296265e-05 - - 302152 1.063756 11353 0.0004731739 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.06377 on 4 procs for 1 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 302152 0 11353 0.0004731739 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 302302 0.18774891 11353 0.00047322994 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 303303 1.408525 11353 0.00047372992 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 304152 2.4653239 11353 0.00047415523 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.46535 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 304152 0 11353 0.00047415523 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 844 -maxz = 4.842710e-04 -S-sub-bulk = 4.982995e-03 -S-sub-base = 9.035981e-06 -S-nh4-bulk = 5.124107e-04 -S-nh4-base = 9.292474e-05 - - 304153 0.28507209 11353 0.00047414538 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.285087 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 304153 0 11353 0.00047414538 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 304304 0.1826148 11353 0.0004742029 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 305305 1.390204 11353 0.00047455517 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 306153 2.41168 11353 0.00047501589 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.41171 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 306153 0 11353 0.00047501589 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 1575 -maxz = 4.851342e-04 -S-sub-bulk = 4.889857e-03 -S-sub-base = 8.949591e-06 -S-nh4-bulk = 5.137668e-04 -S-nh4-base = 9.282658e-05 - - 306154 0.52642894 11353 0.00047505399 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.526445 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 306154 0 11353 0.00047505399 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 306306 0.17950201 11353 0.00047511299 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 307307 1.3671951 11353 0.00047556608 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 308154 2.38888 11353 0.00047591407 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.38891 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 308154 0 11353 0.00047591407 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 2233 -maxz = 4.857165e-04 -S-sub-bulk = 4.850314e-03 -S-sub-base = 8.922337e-06 -S-nh4-bulk = 5.149015e-04 -S-nh4-base = 9.274754e-05 - - 308155 0.74295592 11353 0.00047595063 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.742971 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 308155 0 11353 0.00047595063 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 308308 0.18358612 11353 0.00047595407 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 309309 1.3507211 11353 0.0004764231 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 310155 2.347765 11353 0.00047686841 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.34779 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 310155 0 11353 0.00047686841 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 533 -maxz = 4.867109e-04 -S-sub-bulk = 4.788297e-03 -S-sub-base = 8.928030e-06 -S-nh4-bulk = 5.157477e-04 -S-nh4-base = 9.273755e-05 - - 310156 0.18275404 11353 0.00047688582 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.182768 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 310156 0 11353 0.00047688582 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 310310 0.18471694 11353 0.00047688404 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 311311 1.3640389 11353 0.0004772814 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 312156 2.3491449 11353 0.0004777133 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.34917 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 312156 0 11353 0.0004777133 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 2229 -maxz = 4.869045e-04 -S-sub-bulk = 4.777598e-03 -S-sub-base = 8.989987e-06 -S-nh4-bulk = 5.163761e-04 -S-nh4-base = 9.271248e-05 - - 312157 0.74340916 11353 0.00047772025 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.743424 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 312157 0 11353 0.00047772025 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 312312 0.18015003 11353 0.00047791008 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 313313 1.3480749 11353 0.00047837409 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 314157 2.336385 11353 0.00047863637 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.33642 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 314157 0 11353 0.00047863637 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 323 -maxz = 4.875805e-04 -S-sub-bulk = 4.729438e-03 -S-sub-base = 9.000341e-06 -S-nh4-bulk = 5.167502e-04 -S-nh4-base = 9.269638e-05 - - 314158 0.11390185 11353 0.00047865473 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.113917 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 314158 0 11353 0.00047865473 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 314314 0.17355919 11353 0.00047871536 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 315315 1.3314681 11353 0.00047912694 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 316158 2.2977641 11353 0.00047945209 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.29779 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 316158 0 11353 0.00047945209 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 953 -maxz = 4.882579e-04 -S-sub-bulk = 4.682616e-03 -S-sub-base = 9.029115e-06 -S-nh4-bulk = 5.170151e-04 -S-nh4-base = 9.269739e-05 - - 316159 0.32191706 11353 0.00047949012 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.321932 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 316159 0 11353 0.00047949012 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 316316 0.18257499 11353 0.00047957234 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 317317 1.330183 11353 0.00048004918 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 318159 2.3083529 11353 0.0004804505 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.30838 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 318159 0 11353 0.0004804505 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 1501 -maxz = 4.892623e-04 -S-sub-bulk = 4.657871e-03 -S-sub-base = 9.063645e-06 -S-nh4-bulk = 5.170511e-04 -S-nh4-base = 9.270694e-05 - - 318160 0.50435591 11353 0.00048042203 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.504371 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 318160 0 11353 0.00048042203 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 318318 0.17715693 11353 0.00048053296 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 319319 1.3089921 11353 0.0004807926 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 320160 2.254807 11353 0.00048127987 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.25484 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 320160 0 11353 0.00048127987 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 394 -maxz = 4.895616e-04 -S-sub-bulk = 4.608774e-03 -S-sub-base = 9.070214e-06 -S-nh4-bulk = 5.171181e-04 -S-nh4-base = 9.269870e-05 - - 320161 0.13808608 11353 0.00048129739 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.1381 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 320161 0 11353 0.00048129739 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 320320 0.17708993 11353 0.0004813755 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 321321 1.2998731 11353 0.0004818366 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 322161 2.2418849 11353 0.00048217597 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.24191 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 322161 0 11353 0.00048217597 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 1743 -maxz = 4.905366e-04 -S-sub-bulk = 4.599160e-03 -S-sub-base = 9.080048e-06 -S-nh4-bulk = 5.170297e-04 -S-nh4-base = 9.270604e-05 - - 322162 0.58505392 11353 0.00048207253 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.585068 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 322162 0 11353 0.00048207253 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 322322 0.17974496 11353 0.00048215635 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 323323 1.2942319 11353 0.00048254524 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 324162 2.239557 11353 0.00048280405 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.23958 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 324162 0 11353 0.00048280405 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 5000 -maxz = 4.911986e-04 -S-sub-bulk = 5.028633e-03 -S-sub-base = 8.997892e-06 -S-nh4-bulk = 5.166033e-04 -S-nh4-base = 9.293655e-05 - - 324163 1.6866062 11353 0.0004828181 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.68662 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 324163 0 11353 0.0004828181 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 324324 0.17920208 11353 0.00048288056 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 325325 1.284127 11353 0.00048336769 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 326163 2.2240269 11353 0.00048363192 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.22406 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 326163 0 11353 0.00048363192 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 5000 -maxz = 4.916538e-04 -S-sub-bulk = 5.120654e-03 -S-sub-base = 8.643473e-06 -S-nh4-bulk = 5.166092e-04 -S-nh4-base = 9.308306e-05 - - 326164 1.6852858 11353 0.0004835651 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.6853 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 326164 0 11353 0.0004835651 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 326326 0.17920017 11353 0.00048369897 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 327327 1.2920702 11353 0.00048405538 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 328164 2.2135541 11353 0.00048425354 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.21358 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 328164 0 11353 0.00048425354 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 2982 -maxz = 4.922344e-04 -S-sub-bulk = 5.052902e-03 -S-sub-base = 8.339705e-06 -S-nh4-bulk = 5.168035e-04 -S-nh4-base = 9.298826e-05 - - 328165 1.010253 11353 0.00048430447 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.01027 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 328165 0 11353 0.00048430447 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 328328 0.180372 11353 0.00048434837 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 329329 1.2753992 11353 0.00048463371 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 330165 2.1870492 11353 0.00048475276 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.18708 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 330165 0 11353 0.00048475276 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 671 -maxz = 4.925783e-04 -S-sub-bulk = 4.962345e-03 -S-sub-base = 8.287240e-06 -S-nh4-bulk = 5.169175e-04 -S-nh4-base = 9.298124e-05 - - 330166 0.23212695 11353 0.00048491427 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.232142 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 330166 0 11353 0.00048491427 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 330330 0.17641711 11353 0.00048480936 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 331331 1.263375 11353 0.00048530171 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 332166 2.172215 11353 0.00048544055 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.17224 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 332166 0 11353 0.00048544055 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 1110 -maxz = 4.932556e-04 -S-sub-bulk = 4.876012e-03 -S-sub-base = 8.224975e-06 -S-nh4-bulk = 5.171655e-04 -S-nh4-base = 9.296515e-05 - - 332167 0.3792491 11353 0.00048542195 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.379264 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 332167 0 11353 0.00048542195 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 332332 0.17191291 11353 0.00048547349 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 333333 1.2510951 11353 0.00048572429 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 334167 2.1418669 11353 0.00048597724 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.1419 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 334167 0 11353 0.00048597724 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 1820 -maxz = 4.939751e-04 -S-sub-bulk = 4.835924e-03 -S-sub-base = 8.179454e-06 -S-nh4-bulk = 5.174071e-04 -S-nh4-base = 9.290021e-05 - - 334168 0.61847496 11353 0.00048594052 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.618491 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 334168 0 11353 0.00048594052 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 334334 0.18797398 11353 0.00048600861 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 335335 1.260227 11353 0.00048637685 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 336168 2.1498811 11353 0.00048661606 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.14997 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 336168 0 11353 0.00048661606 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 761 -maxz = 4.944912e-04 -S-sub-bulk = 4.797569e-03 -S-sub-base = 8.181089e-06 -S-nh4-bulk = 5.175494e-04 -S-nh4-base = 9.286469e-05 - - 336169 0.262609 11353 0.00048667754 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.262623 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 336169 0 11353 0.00048667754 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 336336 0.171031 11353 0.00048677329 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 337337 1.2389901 11353 0.00048706039 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 338169 2.1194191 11353 0.00048732477 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.11945 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 338169 0 11353 0.00048732477 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 1445 -maxz = 4.951287e-04 -S-sub-bulk = 4.783358e-03 -S-sub-base = 8.209660e-06 -S-nh4-bulk = 5.176637e-04 -S-nh4-base = 9.280592e-05 - - 338170 0.49217796 11353 0.00048732546 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.492192 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 338170 0 11353 0.00048732546 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 338338 0.18070102 11353 0.00048732835 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 339339 1.2323849 11353 0.00048759578 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 340170 2.095758 11353 0.00048784686 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.09579 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 340170 0 11353 0.00048784686 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 626 -maxz = 4.960125e-04 -S-sub-bulk = 4.760362e-03 -S-sub-base = 8.230276e-06 -S-nh4-bulk = 5.177025e-04 -S-nh4-base = 9.277623e-05 - - 340171 0.21872401 11353 0.00048786065 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.218737 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 340171 0 11353 0.00048786065 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 340340 0.18133307 11353 0.00048787968 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 341341 1.223444 11353 0.0004882099 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 342171 2.081646 11353 0.00048837077 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.08167 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 342171 0 11353 0.00048837077 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 426 -maxz = 4.968031e-04 -S-sub-bulk = 4.726451e-03 -S-sub-base = 8.245944e-06 -S-nh4-bulk = 5.176337e-04 -S-nh4-base = 9.275690e-05 - - 342172 0.14997292 11353 0.00048838404 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.149987 on 4 procs for 1 steps with 11353 atoms - -99.3% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 342172 0 11353 0.00048838404 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 342342 0.17750192 11353 0.00048844849 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 343343 1.233238 11353 0.00048872964 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 344172 2.1055188 11353 0.00048894878 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.10554 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 344172 0 11353 0.00048894878 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 734 -maxz = 4.975167e-04 -S-sub-bulk = 4.699492e-03 -S-sub-base = 8.273980e-06 -S-nh4-bulk = 5.174981e-04 -S-nh4-base = 9.272609e-05 - - 344173 0.25382686 11353 0.00048900023 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.253842 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 344173 0 11353 0.00048900023 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 344344 0.17856693 11353 0.00048899549 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 345345 1.2127378 11353 0.00048920173 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 346173 2.0480359 11353 0.00048938484 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.04806 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 346173 0 11353 0.00048938484 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 1272 -maxz = 4.983187e-04 -S-sub-bulk = 4.696140e-03 -S-sub-base = 8.323588e-06 -S-nh4-bulk = 5.173758e-04 -S-nh4-base = 9.269655e-05 - - 346174 0.43453288 11353 0.00048939057 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.434548 on 4 procs for 1 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 346174 0 11353 0.00048939057 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 346346 0.17571688 11353 0.00048940964 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 347347 1.182426 11353 0.00048961953 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 348174 2.03142 11353 0.00048981303 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 2.03145 on 4 procs for 2000 steps with 11353 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 348174 0 11353 0.00048981303 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 408 -maxz = 4.988785e-04 -S-sub-bulk = 4.683751e-03 -S-sub-base = 8.339917e-06 -S-nh4-bulk = 5.170598e-04 -S-nh4-base = 9.268267e-05 - - 348175 0.14409304 11353 0.00048987843 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.144108 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 348175 0 11353 0.00048987843 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 348348 0.17196512 11353 0.00048984041 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 349349 1.175113 11353 0.00049008102 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 350175 1.9953451 11353 0.00049019174 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.99538 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 350175 0 11353 0.00049019174 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 319 -maxz = 4.994250e-04 -S-sub-bulk = 4.658626e-03 -S-sub-base = 8.353785e-06 -S-nh4-bulk = 5.167671e-04 -S-nh4-base = 9.267828e-05 - - 350176 0.11420798 11353 0.0004902522 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.114222 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 350176 0 11353 0.0004902522 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 350350 0.16523004 11353 0.00049021175 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 351351 1.1654651 11353 0.00049045612 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 352176 1.9834781 11353 0.00049063611 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.98351 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 352176 0 11353 0.00049063611 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 389 -maxz = 4.996599e-04 -S-sub-bulk = 4.632830e-03 -S-sub-base = 8.374428e-06 -S-nh4-bulk = 5.164018e-04 -S-nh4-base = 9.269946e-05 - - 352177 0.1384151 11353 0.00049063013 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 0.138429 on 4 procs for 1 steps with 11353 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 352177 0 11353 0.00049063013 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 352352 0.17686582 11353 0.00049061845 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 353353 1.162272 11353 0.00049091637 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 - 354177 1.9869299 11353 0.00049099819 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -Loop time of 1.98696 on 4 procs for 2000 steps with 11353 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 354177 0 11353 0.00049099819 0 10937 416 5.9378036e-11 5.7015628e-11 2.3624073e-12 -number of iterations: 728 -maxz = 5.002220e-04 -S-sub-bulk = 4.621758e-03 -S-sub-base = 8.411401e-06 -S-nh4-bulk = 5.160107e-04 -S-nh4-base = 9.272101e-05 - -number of iterations: 18036 -S-sub-bulk = 5.305944e-03 -S-sub-base = 7.274432e-06 -S-nh4-bulk = 5.193660e-04 -S-nh4-base = 9.166170e-05 - -number of iterations: 17405 -S-sub-bulk = 5.081725e-03 -S-sub-base = 7.775714e-06 -S-nh4-bulk = 5.236015e-04 -S-nh4-base = 9.070340e-05 - -number of iterations: 2659 -S-sub-bulk = 5.020114e-03 -S-sub-base = 7.951615e-06 -S-nh4-bulk = 5.267793e-04 -S-nh4-base = 9.066829e-05 - -number of iterations: 935 -S-sub-bulk = 5.012007e-03 -S-sub-base = 7.999428e-06 -S-nh4-bulk = 5.291137e-04 -S-nh4-base = 9.065886e-05 - -number of iterations: 129 -S-sub-bulk = 5.010843e-03 -S-sub-base = 8.005494e-06 -S-nh4-bulk = 5.308261e-04 -S-nh4-base = 9.065769e-05 - -number of iterations: 162 -S-sub-bulk = 5.015958e-03 -S-sub-base = 8.012935e-06 -S-nh4-bulk = 5.320815e-04 -S-nh4-base = 9.065626e-05 - -number of iterations: 146 -S-sub-bulk = 5.024801e-03 -S-sub-base = 8.019472e-06 -S-nh4-bulk = 5.330010e-04 -S-nh4-base = 9.065504e-05 - -number of iterations: 120 -S-sub-bulk = 5.035137e-03 -S-sub-base = 8.024727e-06 -S-nh4-bulk = 5.336742e-04 -S-nh4-base = 9.065406e-05 - -number of iterations: 97 -S-sub-bulk = 5.045539e-03 -S-sub-base = 8.028896e-06 -S-nh4-bulk = 5.341667e-04 -S-nh4-base = 9.065331e-05 - -number of iterations: 103 -S-sub-bulk = 5.055820e-03 -S-sub-base = 8.033247e-06 -S-nh4-bulk = 5.345261e-04 -S-nh4-base = 9.065253e-05 - -number of iterations: 116 -S-sub-bulk = 5.065947e-03 -S-sub-base = 8.038052e-06 -S-nh4-bulk = 5.347875e-04 -S-nh4-base = 9.065170e-05 - -number of iterations: 121 -S-sub-bulk = 5.075672e-03 -S-sub-base = 8.042957e-06 -S-nh4-bulk = 5.349763e-04 -S-nh4-base = 9.065087e-05 - -number of iterations: 126 -S-sub-bulk = 5.084814e-03 -S-sub-base = 8.047947e-06 -S-nh4-bulk = 5.351114e-04 -S-nh4-base = 9.065005e-05 - -number of iterations: 131 -S-sub-bulk = 5.093238e-03 -S-sub-base = 8.053008e-06 -S-nh4-bulk = 5.352065e-04 -S-nh4-base = 9.064927e-05 - -number of iterations: 125 -S-sub-bulk = 5.100750e-03 -S-sub-base = 8.057714e-06 -S-nh4-bulk = 5.352718e-04 -S-nh4-base = 9.064857e-05 - -number of iterations: 116 -S-sub-bulk = 5.107253e-03 -S-sub-base = 8.061972e-06 -S-nh4-bulk = 5.353151e-04 -S-nh4-base = 9.064797e-05 - -number of iterations: 102 -S-sub-bulk = 5.112716e-03 -S-sub-base = 8.065629e-06 -S-nh4-bulk = 5.353425e-04 -S-nh4-base = 9.064749e-05 - -number of iterations: 92 -S-sub-bulk = 5.117214e-03 -S-sub-base = 8.068855e-06 -S-nh4-bulk = 5.353582e-04 -S-nh4-base = 9.064709e-05 - -number of iterations: 83 -S-sub-bulk = 5.120855e-03 -S-sub-base = 8.071708e-06 -S-nh4-bulk = 5.353656e-04 -S-nh4-base = 9.064676e-05 - -number of iterations: 72 -S-sub-bulk = 5.123754e-03 -S-sub-base = 8.074136e-06 -S-nh4-bulk = 5.353672e-04 -S-nh4-base = 9.064650e-05 - -number of iterations: 60 -S-sub-bulk = 5.126029e-03 -S-sub-base = 8.076127e-06 -S-nh4-bulk = 5.353650e-04 -S-nh4-base = 9.064630e-05 - -number of iterations: 48 -S-sub-bulk = 5.127792e-03 -S-sub-base = 8.077698e-06 -S-nh4-bulk = 5.353606e-04 -S-nh4-base = 9.064615e-05 - -number of iterations: 48 -S-sub-bulk = 5.129159e-03 -S-sub-base = 8.079249e-06 -S-nh4-bulk = 5.353545e-04 -S-nh4-base = 9.064601e-05 - -number of iterations: 46 -S-sub-bulk = 5.130215e-03 -S-sub-base = 8.080717e-06 -S-nh4-bulk = 5.353472e-04 -S-nh4-base = 9.064588e-05 - -number of iterations: 44 -S-sub-bulk = 5.131026e-03 -S-sub-base = 8.082105e-06 -S-nh4-bulk = 5.353391e-04 -S-nh4-base = 9.064577e-05 - -number of iterations: 43 -S-sub-bulk = 5.131648e-03 -S-sub-base = 8.083445e-06 -S-nh4-bulk = 5.353303e-04 -S-nh4-base = 9.064567e-05 - -number of iterations: 41 -S-sub-bulk = 5.132123e-03 -S-sub-base = 8.084707e-06 -S-nh4-bulk = 5.353211e-04 -S-nh4-base = 9.064559e-05 - -number of iterations: 40 -S-sub-bulk = 5.132485e-03 -S-sub-base = 8.085924e-06 -S-nh4-bulk = 5.353116e-04 -S-nh4-base = 9.064551e-05 - -number of iterations: 39 -S-sub-bulk = 5.132761e-03 -S-sub-base = 8.087098e-06 -S-nh4-bulk = 5.353019e-04 -S-nh4-base = 9.064544e-05 - -number of iterations: 39 -S-sub-bulk = 5.132970e-03 -S-sub-base = 8.088258e-06 -S-nh4-bulk = 5.352920e-04 -S-nh4-base = 9.064538e-05 - -number of iterations: 38 -S-sub-bulk = 5.133130e-03 -S-sub-base = 8.089375e-06 -S-nh4-bulk = 5.352820e-04 -S-nh4-base = 9.064533e-05 - -number of iterations: 38 -S-sub-bulk = 5.133252e-03 -S-sub-base = 8.090479e-06 -S-nh4-bulk = 5.352718e-04 -S-nh4-base = 9.064528e-05 - -number of iterations: 37 -S-sub-bulk = 5.133345e-03 -S-sub-base = 8.091541e-06 -S-nh4-bulk = 5.352614e-04 -S-nh4-base = 9.064525e-05 - -number of iterations: 37 -S-sub-bulk = 5.133417e-03 -S-sub-base = 8.092591e-06 -S-nh4-bulk = 5.352510e-04 -S-nh4-base = 9.064522e-05 - -number of iterations: 37 -S-sub-bulk = 5.133475e-03 -S-sub-base = 8.093628e-06 -S-nh4-bulk = 5.352404e-04 -S-nh4-base = 9.064520e-05 - -number of iterations: 36 -S-sub-bulk = 5.133521e-03 -S-sub-base = 8.094625e-06 -S-nh4-bulk = 5.352297e-04 -S-nh4-base = 9.064518e-05 - -number of iterations: 36 -S-sub-bulk = 5.133559e-03 -S-sub-base = 8.095610e-06 -S-nh4-bulk = 5.352189e-04 -S-nh4-base = 9.064517e-05 - -number of iterations: 36 -S-sub-bulk = 5.133591e-03 -S-sub-base = 8.096583e-06 -S-nh4-bulk = 5.352080e-04 -S-nh4-base = 9.064517e-05 - -number of iterations: 36 -S-sub-bulk = 5.133620e-03 -S-sub-base = 8.097544e-06 -S-nh4-bulk = 5.351969e-04 -S-nh4-base = 9.064518e-05 - -number of iterations: 36 -S-sub-bulk = 5.133647e-03 -S-sub-base = 8.098492e-06 -S-nh4-bulk = 5.351857e-04 -S-nh4-base = 9.064519e-05 - -number of iterations: 36 -S-sub-bulk = 5.133671e-03 -S-sub-base = 8.099428e-06 -S-nh4-bulk = 5.351742e-04 -S-nh4-base = 9.064521e-05 - -number of iterations: 36 -S-sub-bulk = 5.133694e-03 -S-sub-base = 8.100352e-06 -S-nh4-bulk = 5.351627e-04 -S-nh4-base = 9.064523e-05 - -number of iterations: 36 -S-sub-bulk = 5.133717e-03 -S-sub-base = 8.101263e-06 -S-nh4-bulk = 5.351509e-04 -S-nh4-base = 9.064527e-05 - -number of iterations: 35 -S-sub-bulk = 5.133739e-03 -S-sub-base = 8.102137e-06 -S-nh4-bulk = 5.351390e-04 -S-nh4-base = 9.064531e-05 - -number of iterations: 36 -S-sub-bulk = 5.133761e-03 -S-sub-base = 8.103023e-06 -S-nh4-bulk = 5.351269e-04 -S-nh4-base = 9.064536e-05 - -number of iterations: 35 -S-sub-bulk = 5.133782e-03 -S-sub-base = 8.103872e-06 -S-nh4-bulk = 5.351147e-04 -S-nh4-base = 9.064541e-05 - -number of iterations: 36 -S-sub-bulk = 5.133804e-03 -S-sub-base = 8.104733e-06 -S-nh4-bulk = 5.351023e-04 -S-nh4-base = 9.064547e-05 - -number of iterations: 35 -S-sub-bulk = 5.133826e-03 -S-sub-base = 8.105558e-06 -S-nh4-bulk = 5.350898e-04 -S-nh4-base = 9.064554e-05 - -number of iterations: 35 -S-sub-bulk = 5.133847e-03 -S-sub-base = 8.106371e-06 -S-nh4-bulk = 5.350771e-04 -S-nh4-base = 9.064562e-05 - -number of iterations: 35 -S-sub-bulk = 5.133869e-03 -S-sub-base = 8.107171e-06 -S-nh4-bulk = 5.350643e-04 -S-nh4-base = 9.064570e-05 - -ERROR: Finish (../fix_bio_verify.cpp:310) diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/standard/Inputscript.lammps b/examples/PAPER-NUFEB-TOOL/validation/benchmark3/standard/Inputscript.lammps deleted file mode 100644 index 3cf9bac27..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/standard/Inputscript.lammps +++ /dev/null @@ -1,103 +0,0 @@ -# NUFEB simulation - -units si -atom_style bio -atom_modify map array sort 1000 5.0e-6 -boundary pp pp ff -newton off -processors 4 1 1 - -comm_modify vel yes - -read_data_bio atom.in - -group HET type 1 -group AOB type 2 - -variable x equal 40 -variable y equal 3 -variable z equal 1 - -lattice sc 2e-5 origin 0.75 0.5 0.5 -region reg block 0 $x 0 $y 0 $z -create_atoms 1 random 200 1867 reg - -#lattice sc 2e-5 origin 0.25 0.5 0.5 -region reg2 block 0 $x 0 $y 0 $z -create_atoms 2 random 200 7456 reg - -neighbor 5e-7 bin - -set type 1 diameter 9.5e-6 -set type 1 density 15.2 -set type 2 diameter 9.5e-6 -set type 2 density 15.2 - -neigh_modify delay 0 one 2000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 1440 - -variable kanc equal 50 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane 0.0 6e-04 - -fix zwa all walladh v_kanc zplane 0.0 6e-04 - -variable ke equal 5e+10 -#fix j1 all epsadh 1 v_ke 1 - -##############Define IBm Variables############## - -#EPS density, ratio variables and division diameter -variable EPSdens equal 30 -variable EPSratio equal 1.25 -variable divDia equal 1e-5 - -#kinetics variables -variable etaHET equal 0.0 -variable diffT equal 1e-3 -variable tol equal 1e-5 -variable layer equal 0 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 40 3 60 v_diffT v_layer niter 5000 demflag 0 -fix kgm all kinetics/growth/monod epsdens 30 -fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 -fix d1 all divide 1 v_EPSdens v_divDia 0890 demflag 0 -fix vf1 all verify 1 bm3 demflag 0 - -##############Simulation Output############## - -compute myHeight all avg_height -compute myMass all biomass -compute myNtype all ntypes - -#dump du0 all bio 5010 biomass ntypes bulk -#dump id all custom 120100 snapshot.bubblemd id type diameter x y z -thermo_style custom step cpu atoms c_myHeight c_myNtype[*] c_myMass[*] -thermo 1001 -thermo_modify lost warn - -##############Two-loops Run############## - -run 3600 pre no post no every 1 & -"fix_modify k1 demflag 1" & -"fix_modify d1 demflag 1" & -"fix_modify vf1 demflag 1" & -"timestep 0.1" & -"run 2000 pre no post no" & -"timestep 1440" & -"fix_modify k1 demflag 0" & -"fix_modify d1 demflag 0" & -"fix_modify vf1 demflag 0" - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/standard/atom.in b/examples/PAPER-NUFEB-TOOL/validation/benchmark3/standard/atom.in deleted file mode 100644 index aaec98cca..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/standard/atom.in +++ /dev/null @@ -1,60 +0,0 @@ - Granular Flow Simulation - - 0 atoms - 2 atom types - 5 nutrients - - 0.000000e-04 4.000000e-04 xlo xhi - 0.000000e-04 3.000000e-05 ylo yhi - 0.000000e-04 6.000000e-04 zlo zhi - - Atoms - - Nutrients - - 1 sub l pp pp nd 0.03 0.03 - 2 o2 l pp pp nd 0.01 0.01 - 3 nh4 l pp pp nd 0.006 0.006 - 4 no2 l pp pp nd 1e-4 1e-4 - 5 no3 l pp pp nd 1e-4 1e-4 - - - Diffusion Coeffs - - sub 1.1574e-9 - o2 2.3148e-9 - nh4 1.9676e-9 - no2 0 - no3 0 - - Type Name - - 1 het - 2 aob - - Ks - - het 4e-3 2e-4 0 0 0 - aob 0 5e-4 1e-3 0 0 - -Growth Rate - - het 0.000069444 - aob 0.000025463 - - Yield - - het 0.63 - aob 0.24 - - Maintenance - - het 0.000003694 - aob 0.000001389 - - Decay - - het 0.000000917 - aob 0.000000347 - - diff --git a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/standard/result b/examples/PAPER-NUFEB-TOOL/validation/benchmark3/standard/result deleted file mode 100644 index be4e59bc2..000000000 --- a/examples/PAPER-NUFEB-TOOL/validation/benchmark3/standard/result +++ /dev/null @@ -1,5351 +0,0 @@ -LAMMPS (5 Nov 2016) -# NUFEB simulation - -units si -atom_style bio -atom_modify map array sort 1000 5.0e-6 -boundary pp pp ff -newton off -processors 4 1 1 - -comm_modify vel yes - -read_data_bio atom.in - orthogonal box = (0 0 0) to (0.0004 3e-05 0.0006) - 4 by 1 by 1 MPI processor grid - reading atoms ... - 0 atoms - 5 nutrients - -group HET type 1 -0 atoms in group HET -group AOB type 2 -0 atoms in group AOB - -variable x equal 40 -variable y equal 3 -variable z equal 1 - -lattice sc 2e-5 origin 0.75 0.5 0.5 -Lattice spacing in x,y,z = 2e-05 2e-05 2e-05 -region reg block 0 $x 0 $y 0 $z -region reg block 0 40 0 $y 0 $z -region reg block 0 40 0 3 0 $z -region reg block 0 40 0 3 0 1 -create_atoms 1 random 200 1867 reg -Created 200 atoms - -#lattice sc 2e-5 origin 0.25 0.5 0.5 -region reg2 block 0 $x 0 $y 0 $z -region reg2 block 0 40 0 $y 0 $z -region reg2 block 0 40 0 3 0 $z -region reg2 block 0 40 0 3 0 1 -create_atoms 2 random 200 7456 reg -Created 200 atoms - -neighbor 5e-7 bin - -set type 1 diameter 9.5e-6 - 200 settings made for diameter -set type 1 density 15.2 - 200 settings made for density -set type 2 diameter 9.5e-6 - 200 settings made for diameter -set type 2 density 15.2 - 200 settings made for density - -neigh_modify delay 0 one 2000 - -##############Define DEM Variables&Commands############## - -pair_style gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1 -pair_coeff * * - -timestep 1440 - -variable kanc equal 50 - -fix 1 all nve/limit 1e-7 -fix fv all viscous 1e-5 - -fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane 0.0 6e-04 - -fix zwa all walladh v_kanc zplane 0.0 6e-04 - -variable ke equal 5e+10 -#fix j1 all epsadh 1 v_ke 1 - -##############Define IBm Variables############## - -#EPS density, ratio variables and division diameter -variable EPSdens equal 30 -variable EPSratio equal 1.25 -variable divDia equal 1e-5 - -#kinetics variables -variable etaHET equal 0.0 -variable diffT equal 1e-3 -variable tol equal 1e-5 -variable layer equal 0 - -##############Define IBm Commands############## - -fix k1 all kinetics 1 40 3 60 v_diffT v_layer niter 5000 demflag 0 -fix kgm all kinetics/growth/monod v_EPSdens v_etaHET -fix g1 all kinetics/diffusion v_tol pp pp nd kg bulk 2.31e-7 1.25e-3 0.1 -fix d1 all divide 1 v_EPSdens v_divDia 0890 demflag 0 -fix vf1 all verify 1 bm3 demflag 0 - -##############Simulation Output############## - -compute myHeight all avg_height -compute myMass all biomass -compute myNtype all ntypes - -#dump du0 all bio 5010 biomass ntypes bulk -#dump id all custom 120100 snapshot.bubblemd id type diameter x y z -thermo_style custom step cpu atoms c_myHeight c_myNtype[*] c_myMass[*] -thermo 1001 -thermo_modify lost warn - -##############Two-loops Run############## - -run 3600 pre no post no every 1 "fix_modify k1 demflag 1" "fix_modify d1 demflag 1" "fix_modify vf1 demflag 1" "timestep 0.1" "run 2000 pre no post no" "timestep 1440" "fix_modify k1 demflag 0" "fix_modify d1 demflag 0" "fix_modify vf1 demflag 0" -WARNING: EPS is not defined in fix_kinetics/kinetics/monod (../fix_bio_kinetics_monod.cpp:253) -ae = 1.387500e+02, top = 2.474478e-05, base = 4.871454e-06, ave_h = 1.093042e-05 -Neighbor list info ... - 2 neighbor list requests - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 1e-05 - ghost atom cutoff = 1e-05 - binsize = 5e-06 -> bins = 80 6 120 -Memory usage per processor = 7.47553 Mbytes -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 0 0 400 1.8100859e-05 0 200 200 2.7294366e-12 1.3647183e-12 1.3647183e-12 -number of iterations: 562 -maxz = 2.495220e-05 -S-sub-bulk = 2.875234e-02 -S-sub-base = 2.984899e-02 -S-nh4-bulk = 4.869844e-03 -S-nh4-base = 5.908452e-03 - - 1 0.019026995 400 1.8263608e-05 0 200 200 2.8758355e-12 1.4737084e-12 1.4021271e-12 -Loop time of 0.0190423 on 4 procs for 1 steps with 400 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 1 0 400 1.8263608e-05 0 200 200 2.8758355e-12 1.4737084e-12 1.4021271e-12 - 1001 0.044946909 400 2.7577534e-05 0 200 200 2.8758355e-12 1.4737084e-12 1.4021271e-12 - 2001 0.071558952 400 2.7580497e-05 0 200 200 2.8758355e-12 1.4737084e-12 1.4021271e-12 -Loop time of 0.0715769 on 4 procs for 2000 steps with 400 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 2001 0 400 2.7580497e-05 0 200 200 2.8758355e-12 1.4737084e-12 1.4021271e-12 -number of iterations: 970 -maxz = 3.981759e-05 -S-sub-bulk = 2.774306e-02 -S-sub-base = 2.868111e-02 -S-nh4-bulk = 4.045273e-03 -S-nh4-base = 4.809029e-03 - - 2002 0.031383991 400 2.7744362e-05 0 200 200 3.0301023e-12 1.5908324e-12 1.4392698e-12 -Loop time of 0.0313995 on 4 procs for 1 steps with 400 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 2002 0 400 2.7744362e-05 0 200 200 3.0301023e-12 1.5908324e-12 1.4392698e-12 - 3003 0.032416105 400 2.8404982e-05 0 200 200 3.0301023e-12 1.5908324e-12 1.4392698e-12 - 4002 0.057308912 400 2.8489512e-05 0 200 200 3.0301023e-12 1.5908324e-12 1.4392698e-12 -Loop time of 0.0573261 on 4 procs for 2000 steps with 400 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 4002 0 400 2.8489512e-05 0 200 200 3.0301023e-12 1.5908324e-12 1.4392698e-12 -number of iterations: 1499 -maxz = 4.131697e-05 -S-sub-bulk = 2.690324e-02 -S-sub-base = 2.758675e-02 -S-nh4-bulk = 3.453237e-03 -S-nh4-base = 3.942646e-03 - - 4003 0.060328007 400 2.8555126e-05 0 200 200 3.1924151e-12 1.716561e-12 1.4758542e-12 -Loop time of 0.0603445 on 4 procs for 1 steps with 400 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 4003 0 400 2.8555126e-05 0 200 200 3.1924151e-12 1.716561e-12 1.4758542e-12 - 4004 6.8902969e-05 400 2.8601301e-05 0 200 200 3.1924151e-12 1.716561e-12 1.4758542e-12 - 5005 0.035665035 400 2.9455045e-05 0 200 200 3.1924151e-12 1.716561e-12 1.4758542e-12 - 6003 0.064476013 400 2.9529318e-05 0 200 200 3.1924151e-12 1.716561e-12 1.4758542e-12 -Loop time of 0.0644937 on 4 procs for 2000 steps with 400 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 6003 0 400 2.9529318e-05 0 200 200 3.1924151e-12 1.716561e-12 1.4758542e-12 -number of iterations: 2025 -maxz = 4.271589e-05 -S-sub-bulk = 2.618054e-02 -S-sub-base = 2.664617e-02 -S-nh4-bulk = 3.033806e-03 -S-nh4-base = 3.309514e-03 - - 6004 0.095005989 600 3.0943145e-05 0 400 200 3.3633356e-12 1.8515241e-12 1.5118114e-12 -Loop time of 0.0950234 on 4 procs for 1 steps with 600 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 6004 0 600 3.0943145e-05 0 400 200 3.3633356e-12 1.8515241e-12 1.5118114e-12 - 6006 0.00012993813 600 3.1121742e-05 0 400 200 3.3633356e-12 1.8515241e-12 1.5118114e-12 - 7007 0.049689054 600 3.389583e-05 0 400 200 3.3633356e-12 1.8515241e-12 1.5118114e-12 - 8004 0.077708006 600 3.3924495e-05 0 400 200 3.3633356e-12 1.8515241e-12 1.5118114e-12 -Loop time of 0.0777268 on 4 procs for 2000 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 8004 0 600 3.3924495e-05 0 400 200 3.3633356e-12 1.8515241e-12 1.5118114e-12 -number of iterations: 1874 -maxz = 4.541515e-05 -S-sub-bulk = 2.553446e-02 -S-sub-base = 2.591563e-02 -S-nh4-bulk = 2.734509e-03 -S-nh4-base = 2.895728e-03 - - 8005 0.082818031 600 3.3967805e-05 0 400 200 3.5439145e-12 1.9965394e-12 1.5473752e-12 -Loop time of 0.0828318 on 4 procs for 1 steps with 600 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 8005 0 600 3.3967805e-05 0 400 200 3.5439145e-12 1.9965394e-12 1.5473752e-12 - 8008 0.00036406517 600 3.4162196e-05 0 400 200 3.5439145e-12 1.9965394e-12 1.5473752e-12 - 9009 0.045948029 600 3.4903432e-05 0 400 200 3.5439145e-12 1.9965394e-12 1.5473752e-12 - 10005 0.07979393 600 3.4882725e-05 0 400 200 3.5439145e-12 1.9965394e-12 1.5473752e-12 -Loop time of 0.0798109 on 4 procs for 2000 steps with 600 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 10005 0 600 3.4882725e-05 0 400 200 3.5439145e-12 1.9965394e-12 1.5473752e-12 -number of iterations: 1755 -maxz = 4.658561e-05 -S-sub-bulk = 2.493624e-02 -S-sub-base = 2.525249e-02 -S-nh4-bulk = 2.520138e-03 -S-nh4-base = 2.599739e-03 - - 10006 0.078733921 600 3.495247e-05 0 400 200 3.7349946e-12 2.1523314e-12 1.5826631e-12 -Loop time of 0.078753 on 4 procs for 1 steps with 600 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 10006 0 600 3.495247e-05 0 400 200 3.7349946e-12 2.1523314e-12 1.5826631e-12 - 10010 0.00045204163 600 3.5086711e-05 0 400 200 3.7349946e-12 2.1523314e-12 1.5826631e-12 - 11011 0.047080994 600 3.5991926e-05 0 400 200 3.7349946e-12 2.1523314e-12 1.5826631e-12 - 12006 0.07925415 600 3.6051047e-05 0 400 200 3.7349946e-12 2.1523314e-12 1.5826631e-12 -Loop time of 0.079271 on 4 procs for 2000 steps with 600 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 12006 0 600 3.6051047e-05 0 400 200 3.7349946e-12 2.1523314e-12 1.5826631e-12 -number of iterations: 1632 -maxz = 4.830309e-05 -S-sub-bulk = 2.436415e-02 -S-sub-base = 2.464496e-02 -S-nh4-bulk = 2.364229e-03 -S-nh4-base = 2.387515e-03 - - 12007 0.068360806 600 3.6103256e-05 0 400 200 3.9374949e-12 2.3196797e-12 1.6178153e-12 -Loop time of 0.0683749 on 4 procs for 1 steps with 600 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 12007 0 600 3.6103256e-05 0 400 200 3.9374949e-12 2.3196797e-12 1.6178153e-12 - 12012 0.00048089027 600 3.6265241e-05 0 400 200 3.9374949e-12 2.3196797e-12 1.6178153e-12 - 13013 0.050487041 600 3.7082572e-05 0 400 200 3.9374949e-12 2.3196797e-12 1.6178153e-12 - 14007 0.087617874 600 3.736685e-05 0 400 200 3.9374949e-12 2.3196797e-12 1.6178153e-12 -Loop time of 0.0876367 on 4 procs for 2000 steps with 600 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 14007 0 600 3.736685e-05 0 400 200 3.9374949e-12 2.3196797e-12 1.6178153e-12 -number of iterations: 1509 -maxz = 5.282907e-05 -S-sub-bulk = 2.380188e-02 -S-sub-base = 2.406738e-02 -S-nh4-bulk = 2.247381e-03 -S-nh4-base = 2.231421e-03 - - 14008 0.068586111 800 3.8381362e-05 0 400 400 4.1523643e-12 2.499394e-12 1.6529703e-12 -Loop time of 0.0685992 on 4 procs for 1 steps with 800 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 14008 0 800 3.8381362e-05 0 400 400 4.1523643e-12 2.499394e-12 1.6529703e-12 - 14014 0.00089716911 800 3.8845251e-05 0 400 400 4.1523643e-12 2.499394e-12 1.6529703e-12 - 15015 0.068006039 800 4.1247714e-05 0 400 400 4.1523643e-12 2.499394e-12 1.6529703e-12 - 16008 0.10818315 800 4.12981e-05 0 400 400 4.1523643e-12 2.499394e-12 1.6529703e-12 -Loop time of 0.108202 on 4 procs for 2000 steps with 800 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 16008 0 800 4.12981e-05 0 400 400 4.1523643e-12 2.499394e-12 1.6529703e-12 -number of iterations: 1956 -maxz = 5.386344e-05 -S-sub-bulk = 2.323915e-02 -S-sub-base = 2.339828e-02 -S-nh4-bulk = 2.162917e-03 -S-nh4-base = 2.079827e-03 - - 16009 0.11457992 800 4.1362513e-05 0 400 400 4.3801207e-12 2.6921233e-12 1.6879974e-12 -Loop time of 0.114597 on 4 procs for 1 steps with 800 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 16009 0 800 4.1362513e-05 0 400 400 4.3801207e-12 2.6921233e-12 1.6879974e-12 - 16016 0.0011060238 800 4.1406794e-05 0 400 400 4.3801207e-12 2.6921233e-12 1.6879974e-12 - 17017 0.069219112 800 4.2273104e-05 0 400 400 4.3801207e-12 2.6921233e-12 1.6879974e-12 - 18009 0.11951709 800 4.2283918e-05 0 400 400 4.3801207e-12 2.6921233e-12 1.6879974e-12 -Loop time of 0.119538 on 4 procs for 2000 steps with 800 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 18009 0 800 4.2283918e-05 0 400 400 4.3801207e-12 2.6921233e-12 1.6879974e-12 -number of iterations: 1564 -maxz = 5.454844e-05 -S-sub-bulk = 2.266381e-02 -S-sub-base = 2.285576e-02 -S-nh4-bulk = 2.092347e-03 -S-nh4-base = 1.996419e-03 - - 18010 0.075577974 818 4.2479218e-05 0 418 400 4.6221864e-12 2.8989369e-12 1.7232495e-12 -Loop time of 0.0755932 on 4 procs for 1 steps with 818 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 18010 0 818 4.2479218e-05 0 418 400 4.6221864e-12 2.8989369e-12 1.7232495e-12 - 18018 0.0010678768 818 4.2795212e-05 0 418 400 4.6221864e-12 2.8989369e-12 1.7232495e-12 - 19019 0.072394848 818 4.3804597e-05 0 418 400 4.6221864e-12 2.8989369e-12 1.7232495e-12 - 20010 0.12497497 818 4.393635e-05 0 418 400 4.6221864e-12 2.8989369e-12 1.7232495e-12 -Loop time of 0.124995 on 4 procs for 2000 steps with 818 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 20010 0 818 4.393635e-05 0 418 400 4.6221864e-12 2.8989369e-12 1.7232495e-12 -number of iterations: 1690 -maxz = 5.672743e-05 -S-sub-bulk = 2.206937e-02 -S-sub-base = 2.223552e-02 -S-nh4-bulk = 2.030783e-03 -S-nh4-base = 1.924804e-03 - - 20011 0.082324028 919 4.4376939e-05 0 519 400 4.8794424e-12 3.1206737e-12 1.7587687e-12 -Loop time of 0.0823398 on 4 procs for 1 steps with 919 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 20011 0 919 4.4376939e-05 0 519 400 4.8794424e-12 3.1206737e-12 1.7587687e-12 - 20020 0.0015180111 919 4.4817429e-05 0 519 400 4.8794424e-12 3.1206737e-12 1.7587687e-12 - 21021 0.082437992 919 4.6650342e-05 0 519 400 4.8794424e-12 3.1206737e-12 1.7587687e-12 - 22011 0.134866 919 4.6735057e-05 0 519 400 4.8794424e-12 3.1206737e-12 1.7587687e-12 -Loop time of 0.134884 on 4 procs for 2000 steps with 919 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 22011 0 919 4.6735057e-05 0 519 400 4.8794424e-12 3.1206737e-12 1.7587687e-12 -number of iterations: 1728 -maxz = 6.078091e-05 -S-sub-bulk = 2.144976e-02 -S-sub-base = 2.161431e-02 -S-nh4-bulk = 1.973595e-03 -S-nh4-base = 1.866354e-03 - - 22012 0.08541584 994 4.7234401e-05 0 594 400 5.152923e-12 3.3582886e-12 1.7946343e-12 -Loop time of 0.085433 on 4 procs for 1 steps with 994 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 22012 0 994 4.7234401e-05 0 594 400 5.152923e-12 3.3582886e-12 1.7946343e-12 - 22022 0.0017240047 994 4.7640699e-05 0 594 400 5.152923e-12 3.3582886e-12 1.7946343e-12 - 23023 0.096229076 994 4.9186115e-05 0 594 400 5.152923e-12 3.3582886e-12 1.7946343e-12 - 24012 0.15976501 994 4.9180148e-05 0 594 400 5.152923e-12 3.3582886e-12 1.7946343e-12 -Loop time of 0.159786 on 4 procs for 2000 steps with 994 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 24012 0 994 4.9180148e-05 0 594 400 5.152923e-12 3.3582886e-12 1.7946343e-12 -number of iterations: 2293 -maxz = 6.334160e-05 -S-sub-bulk = 2.080515e-02 -S-sub-base = 2.083312e-02 -S-nh4-bulk = 1.930283e-03 -S-nh4-base = 1.771109e-03 - - 24013 0.12597108 1037 4.9443461e-05 0 637 400 5.4427696e-12 3.6123037e-12 1.8304659e-12 -Loop time of 0.125988 on 4 procs for 1 steps with 1037 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 24013 0 1037 4.9443461e-05 0 637 400 5.4427696e-12 3.6123037e-12 1.8304659e-12 - 24024 0.0019440651 1037 4.9829505e-05 0 637 400 5.4427696e-12 3.6123037e-12 1.8304659e-12 - 25025 0.10796094 1037 5.1313084e-05 0 637 400 5.4427696e-12 3.6123037e-12 1.8304659e-12 - 26013 0.17401695 1037 5.143537e-05 0 637 400 5.4427696e-12 3.6123037e-12 1.8304659e-12 -Loop time of 0.174037 on 4 procs for 2000 steps with 1037 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 26013 0 1037 5.143537e-05 0 637 400 5.4427696e-12 3.6123037e-12 1.8304659e-12 -number of iterations: 2172 -maxz = 6.542467e-05 -S-sub-bulk = 2.012793e-02 -S-sub-base = 2.014024e-02 -S-nh4-bulk = 1.886520e-03 -S-nh4-base = 1.723047e-03 - - 26014 0.11805487 1115 5.2077123e-05 0 715 400 5.7505966e-12 3.8839537e-12 1.8666428e-12 -Loop time of 0.11807 on 4 procs for 1 steps with 1115 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 26014 0 1115 5.2077123e-05 0 715 400 5.7505966e-12 3.8839537e-12 1.8666428e-12 - 26026 0.0024330616 1115 5.2596773e-05 0 715 400 5.7505966e-12 3.8839537e-12 1.8666428e-12 - 27027 0.11858392 1115 5.4480044e-05 0 715 400 5.7505966e-12 3.8839537e-12 1.8666428e-12 - 28014 0.20280004 1115 5.4828647e-05 0 715 400 5.7505966e-12 3.8839537e-12 1.8666428e-12 -Loop time of 0.202821 on 4 procs for 2000 steps with 1115 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 28014 0 1115 5.4828647e-05 0 715 400 5.7505966e-12 3.8839537e-12 1.8666428e-12 -number of iterations: 2263 -maxz = 6.812027e-05 -S-sub-bulk = 1.941536e-02 -S-sub-base = 1.942549e-02 -S-nh4-bulk = 1.841419e-03 -S-nh4-base = 1.681164e-03 - - 28015 0.12831092 1178 5.506765e-05 0 778 400 6.0773997e-12 4.1741996e-12 1.9032001e-12 -Loop time of 0.128327 on 4 procs for 1 steps with 1178 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 28015 0 1178 5.506765e-05 0 778 400 6.0773997e-12 4.1741996e-12 1.9032001e-12 - 28028 0.0026202202 1178 5.5625168e-05 0 778 400 6.0773997e-12 4.1741996e-12 1.9032001e-12 - 29029 0.12568402 1178 5.7187304e-05 0 778 400 6.0773997e-12 4.1741996e-12 1.9032001e-12 - 30015 0.21191812 1178 5.7566532e-05 0 778 400 6.0773997e-12 4.1741996e-12 1.9032001e-12 -Loop time of 0.211938 on 4 procs for 2000 steps with 1178 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 30015 0 1178 5.7566532e-05 0 778 400 6.0773997e-12 4.1741996e-12 1.9032001e-12 -number of iterations: 2387 -maxz = 6.991480e-05 -S-sub-bulk = 1.866626e-02 -S-sub-base = 1.866862e-02 -S-nh4-bulk = 1.795474e-03 -S-nh4-base = 1.640487e-03 - - 30016 0.13708782 1200 5.7762082e-05 0 800 400 6.4240537e-12 4.4839221e-12 1.9401317e-12 -Loop time of 0.137102 on 4 procs for 1 steps with 1200 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 30016 0 1200 5.7762082e-05 0 800 400 6.4240537e-12 4.4839221e-12 1.9401317e-12 - 30030 0.0028169155 1200 5.829514e-05 0 800 400 6.4240537e-12 4.4839221e-12 1.9401317e-12 - 31031 0.12232709 1200 5.9673883e-05 0 800 400 6.4240537e-12 4.4839221e-12 1.9401317e-12 - 32016 0.21224093 1200 6.0071371e-05 0 800 400 6.4240537e-12 4.4839221e-12 1.9401317e-12 -Loop time of 0.212261 on 4 procs for 2000 steps with 1200 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 32016 0 1200 6.0071371e-05 0 800 400 6.4240537e-12 4.4839221e-12 1.9401317e-12 -number of iterations: 2511 -maxz = 7.305073e-05 -S-sub-bulk = 1.788029e-02 -S-sub-base = 1.786994e-02 -S-nh4-bulk = 1.749734e-03 -S-nh4-base = 1.597779e-03 - - 32017 0.15056586 1201 6.0209499e-05 0 801 400 6.7913507e-12 4.8139436e-12 1.977407e-12 -Loop time of 0.150582 on 4 procs for 1 steps with 1201 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 32017 0 1201 6.0209499e-05 0 801 400 6.7913507e-12 4.8139436e-12 1.977407e-12 - 32032 0.0032429695 1201 6.0474865e-05 0 801 400 6.7913507e-12 4.8139436e-12 1.977407e-12 - 33033 0.12304688 1201 6.1689718e-05 0 801 400 6.7913507e-12 4.8139436e-12 1.977407e-12 - 34017 0.2184689 1201 6.2491694e-05 0 801 400 6.7913507e-12 4.8139436e-12 1.977407e-12 -Loop time of 0.218488 on 4 procs for 2000 steps with 1201 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 34017 0 1201 6.2491694e-05 0 801 400 6.7913507e-12 4.8139436e-12 1.977407e-12 -number of iterations: 3380 -maxz = 7.585138e-05 -S-sub-bulk = 1.706959e-02 -S-sub-base = 1.682152e-02 -S-nh4-bulk = 1.719217e-03 -S-nh4-base = 1.511998e-03 - - 34018 0.20571208 1233 6.2707966e-05 0 833 400 7.1784132e-12 5.1639255e-12 2.0144876e-12 -Loop time of 0.205729 on 4 procs for 1 steps with 1233 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 34018 0 1233 6.2707966e-05 0 833 400 7.1784132e-12 5.1639255e-12 2.0144876e-12 - 34034 0.0034618378 1233 6.3252132e-05 0 833 400 7.1784132e-12 5.1639255e-12 2.0144876e-12 - 35035 0.13502097 1233 6.4617013e-05 0 833 400 7.1784132e-12 5.1639255e-12 2.0144876e-12 - 36018 0.24239182 1233 6.5154306e-05 0 833 400 7.1784132e-12 5.1639255e-12 2.0144876e-12 -Loop time of 0.242412 on 4 procs for 2000 steps with 1233 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 36018 0 1233 6.5154306e-05 0 833 400 7.1784132e-12 5.1639255e-12 2.0144876e-12 -number of iterations: 3168 -maxz = 7.740089e-05 -S-sub-bulk = 1.622403e-02 -S-sub-base = 1.593821e-02 -S-nh4-bulk = 1.683164e-03 -S-nh4-base = 1.480369e-03 - - 36019 0.19946885 1279 6.5350785e-05 0 879 400 7.5872748e-12 5.535304e-12 2.0519708e-12 -Loop time of 0.199484 on 4 procs for 1 steps with 1279 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 36019 0 1279 6.5350785e-05 0 879 400 7.5872748e-12 5.535304e-12 2.0519708e-12 - 36036 0.0038611889 1279 6.615292e-05 0 879 400 7.5872748e-12 5.535304e-12 2.0519708e-12 - 37037 0.15490222 1279 6.7675405e-05 0 879 400 7.5872748e-12 5.535304e-12 2.0519708e-12 - 38019 0.28175616 1279 6.8180733e-05 0 879 400 7.5872748e-12 5.535304e-12 2.0519708e-12 -Loop time of 0.281777 on 4 procs for 2000 steps with 1279 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 38019 0 1279 6.8180733e-05 0 879 400 7.5872748e-12 5.535304e-12 2.0519708e-12 -number of iterations: 3306 -maxz = 7.981461e-05 -S-sub-bulk = 1.534554e-02 -S-sub-base = 1.504155e-02 -S-nh4-bulk = 1.643423e-03 -S-nh4-base = 1.448632e-03 - - 38020 0.20817208 1356 6.8341403e-05 0 956 400 8.0184749e-12 5.9286332e-12 2.0898417e-12 -Loop time of 0.208184 on 4 procs for 1 steps with 1356 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 38020 0 1356 6.8341403e-05 0 956 400 8.0184749e-12 5.9286332e-12 2.0898417e-12 - 38038 0.0046150684 1356 6.9465476e-05 0 956 400 8.0184749e-12 5.9286332e-12 2.0898417e-12 - 39039 0.16356897 1356 7.159082e-05 0 956 400 8.0184749e-12 5.9286332e-12 2.0898417e-12 - 40020 0.2857039 1356 7.2544799e-05 0 956 400 8.0184749e-12 5.9286332e-12 2.0898417e-12 -Loop time of 0.285724 on 4 procs for 2000 steps with 1356 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 40020 0 1356 7.2544799e-05 0 956 400 8.0184749e-12 5.9286332e-12 2.0898417e-12 -number of iterations: 3446 -maxz = 8.500483e-05 -S-sub-bulk = 1.443701e-02 -S-sub-base = 1.413014e-02 -S-nh4-bulk = 1.601215e-03 -S-nh4-base = 1.416424e-03 - - 40021 0.21858907 1457 7.2981867e-05 0 1057 400 8.4724132e-12 6.3443229e-12 2.1280903e-12 -Loop time of 0.218605 on 4 procs for 1 steps with 1457 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 40021 0 1457 7.2981867e-05 0 1057 400 8.4724132e-12 6.3443229e-12 2.1280903e-12 - 40040 0.0049211979 1457 7.3692124e-05 0 1057 400 8.4724132e-12 6.3443229e-12 2.1280903e-12 - 41041 0.18158507 1457 7.6016612e-05 0 1057 400 8.4724132e-12 6.3443229e-12 2.1280903e-12 - 42021 0.3278892 1457 7.6670109e-05 0 1057 400 8.4724132e-12 6.3443229e-12 2.1280903e-12 -Loop time of 0.32791 on 4 procs for 2000 steps with 1457 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 42021 0 1457 7.6670109e-05 0 1057 400 8.4724132e-12 6.3443229e-12 2.1280903e-12 -number of iterations: 4716 -maxz = 8.800436e-05 -S-sub-bulk = 1.353578e-02 -S-sub-base = 1.288323e-02 -S-nh4-bulk = 1.577099e-03 -S-nh4-base = 1.335397e-03 - - 42022 0.3550508 1577 7.6844606e-05 0 1177 400 8.9454784e-12 6.7794733e-12 2.1660052e-12 -Loop time of 0.355066 on 4 procs for 1 steps with 1577 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 42022 0 1577 7.6844606e-05 0 1177 400 8.9454784e-12 6.7794733e-12 2.1660052e-12 - 42042 0.0055418015 1577 7.7882648e-05 0 1177 400 8.9454784e-12 6.7794733e-12 2.1660052e-12 - 43043 0.19463301 1577 8.0585229e-05 0 1177 400 8.9454784e-12 6.7794733e-12 2.1660052e-12 - 44022 0.34831381 1577 8.1333012e-05 0 1177 400 8.9454784e-12 6.7794733e-12 2.1660052e-12 -Loop time of 0.348335 on 4 procs for 2000 steps with 1577 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 44022 0 1577 8.1333012e-05 0 1177 400 8.9454784e-12 6.7794733e-12 2.1660052e-12 -number of iterations: 4223 -maxz = 9.298497e-05 -S-sub-bulk = 1.261513e-02 -S-sub-base = 1.195663e-02 -S-nh4-bulk = 1.543509e-03 -S-nh4-base = 1.314481e-03 - - 44023 0.29288006 1698 8.1689459e-05 0 1298 400 9.4406799e-12 7.2362795e-12 2.2044004e-12 -Loop time of 0.292895 on 4 procs for 1 steps with 1698 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 44023 0 1698 8.1689459e-05 0 1298 400 9.4406799e-12 7.2362795e-12 2.2044004e-12 - 44044 0.0065410137 1698 8.2652489e-05 0 1298 400 9.4406799e-12 7.2362795e-12 2.2044004e-12 - 45045 0.21722889 1698 8.4405028e-05 0 1298 400 9.4406799e-12 7.2362795e-12 2.2044004e-12 - 46023 0.39180589 1698 8.5366217e-05 0 1298 400 9.4406799e-12 7.2362795e-12 2.2044004e-12 -Loop time of 0.391831 on 4 procs for 2000 steps with 1698 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 46023 0 1698 8.5366217e-05 0 1298 400 9.4406799e-12 7.2362795e-12 2.2044004e-12 -number of iterations: 5000 -maxz = 9.645149e-05 -S-sub-bulk = 1.172782e-02 -S-sub-base = 1.075860e-02 -S-nh4-bulk = 1.524027e-03 -S-nh4-base = 1.247206e-03 - - 46024 0.41998386 1807 8.5534487e-05 0 1407 400 9.9526489e-12 7.7101264e-12 2.2425225e-12 -Loop time of 0.42 on 4 procs for 1 steps with 1807 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 46024 0 1807 8.5534487e-05 0 1407 400 9.9526489e-12 7.7101264e-12 2.2425225e-12 - 46046 0.0071280003 1807 8.6355664e-05 0 1407 400 9.9526489e-12 7.7101264e-12 2.2425225e-12 - 47047 0.22885108 1807 8.8484202e-05 0 1407 400 9.9526489e-12 7.7101264e-12 2.2425225e-12 - 48024 0.40764117 1807 8.9528348e-05 0 1407 400 9.9526489e-12 7.7101264e-12 2.2425225e-12 -Loop time of 0.407662 on 4 procs for 2000 steps with 1807 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 48024 0 1807 8.9528348e-05 0 1407 400 9.9526489e-12 7.7101264e-12 2.2425225e-12 -number of iterations: 5000 -maxz = 9.926935e-05 -S-sub-bulk = 1.085107e-02 -S-sub-base = 9.771952e-03 -S-nh4-bulk = 1.493127e-03 -S-nh4-base = 1.229654e-03 - - 48025 0.37284398 1873 8.9674265e-05 0 1473 400 1.0483345e-11 8.2021948e-12 2.28115e-12 -Loop time of 0.372859 on 4 procs for 1 steps with 1873 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 48025 0 1873 8.9674265e-05 0 1473 400 1.0483345e-11 8.2021948e-12 2.28115e-12 - 48048 0.0086040497 1873 9.0528887e-05 0 1473 400 1.0483345e-11 8.2021948e-12 2.28115e-12 - 49049 0.23166299 1873 9.2550789e-05 0 1473 400 1.0483345e-11 8.2021948e-12 2.28115e-12 - 50025 0.41948009 1873 9.3140644e-05 0 1473 400 1.0483345e-11 8.2021948e-12 2.28115e-12 -Loop time of 0.419502 on 4 procs for 2000 steps with 1873 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 50025 0 1873 9.3140644e-05 0 1473 400 1.0483345e-11 8.2021948e-12 2.28115e-12 -number of iterations: 5000 -maxz = 1.032521e-04 -S-sub-bulk = 9.995966e-03 -S-sub-base = 8.855599e-03 -S-nh4-bulk = 1.458312e-03 -S-nh4-base = 1.204489e-03 - - 50026 0.37922001 1931 9.3148977e-05 0 1531 400 1.1031174e-11 8.7110524e-12 2.3201212e-12 -Loop time of 0.379233 on 4 procs for 1 steps with 1931 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 50026 0 1931 9.3148977e-05 0 1531 400 1.1031174e-11 8.7110524e-12 2.3201212e-12 - 50050 0.0085980892 1931 9.4054768e-05 0 1531 400 1.1031174e-11 8.7110524e-12 2.3201212e-12 - 51051 0.26759315 1931 9.5635428e-05 0 1531 400 1.1031174e-11 8.7110524e-12 2.3201212e-12 - 52026 0.47749496 1931 9.6632211e-05 0 1531 400 1.1031174e-11 8.7110524e-12 2.3201212e-12 -Loop time of 0.477516 on 4 procs for 2000 steps with 1931 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 52026 0 1931 9.6632211e-05 0 1531 400 1.1031174e-11 8.7110524e-12 2.3201212e-12 -number of iterations: 5000 -maxz = 1.069532e-04 -S-sub-bulk = 9.235109e-03 -S-sub-base = 7.809854e-03 -S-nh4-bulk = 1.444004e-03 -S-nh4-base = 1.135803e-03 - - 52027 0.40189099 2008 9.685783e-05 0 1608 400 1.1587814e-11 9.2292132e-12 2.3586004e-12 -Loop time of 0.401906 on 4 procs for 1 steps with 2008 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 52027 0 2008 9.685783e-05 0 1608 400 1.1587814e-11 9.2292132e-12 2.3586004e-12 - 52052 0.009196043 2008 9.7807981e-05 0 1608 400 1.1587814e-11 9.2292132e-12 2.3586004e-12 - 53053 0.27962613 2008 0.00010018996 0 1608 400 1.1587814e-11 9.2292132e-12 2.3586004e-12 - 54027 0.49952197 2008 0.00010141373 0 1608 400 1.1587814e-11 9.2292132e-12 2.3586004e-12 -Loop time of 0.499544 on 4 procs for 2000 steps with 2008 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 54027 0 2008 0.00010141373 0 1608 400 1.1587814e-11 9.2292132e-12 2.3586004e-12 -number of iterations: 5000 -maxz = 1.153627e-04 -S-sub-bulk = 8.525712e-03 -S-sub-base = 6.951942e-03 -S-nh4-bulk = 1.416896e-03 -S-nh4-base = 1.119384e-03 - - 54028 0.41664314 2060 0.00010160437 0 1660 400 1.2155845e-11 9.7582612e-12 2.3975842e-12 -Loop time of 0.416659 on 4 procs for 1 steps with 2060 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 54028 0 2060 0.00010160437 0 1660 400 1.2155845e-11 9.7582612e-12 2.3975842e-12 - 54054 0.010113001 2060 0.00010225231 0 1660 400 1.2155845e-11 9.7582612e-12 2.3975842e-12 - 55055 0.277915 2060 0.00010412015 0 1660 400 1.2155845e-11 9.7582612e-12 2.3975842e-12 - 56028 0.50116301 2060 0.00010497496 0 1660 400 1.2155845e-11 9.7582612e-12 2.3975842e-12 -Loop time of 0.501187 on 4 procs for 2000 steps with 2060 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 56028 0 2060 0.00010497496 0 1660 400 1.2155845e-11 9.7582612e-12 2.3975842e-12 -number of iterations: 5000 -maxz = 1.171045e-04 -S-sub-bulk = 7.953308e-03 -S-sub-base = 6.051675e-03 -S-nh4-bulk = 1.406988e-03 -S-nh4-base = 1.062149e-03 - - 56029 0.55396414 2138 0.00010514724 0 1738 400 1.2724902e-11 1.0288781e-11 2.4361215e-12 -Loop time of 0.553982 on 4 procs for 1 steps with 2138 atoms - -99.2% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 56029 0 2138 0.00010514724 0 1738 400 1.2724902e-11 1.0288781e-11 2.4361215e-12 - 56056 0.012905836 2138 0.00010595955 0 1738 400 1.2724902e-11 1.0288781e-11 2.4361215e-12 - 57057 0.34509182 2138 0.00010782594 0 1738 400 1.2724902e-11 1.0288781e-11 2.4361215e-12 - 58029 0.60634184 2138 0.00010844499 0 1738 400 1.2724902e-11 1.0288781e-11 2.4361215e-12 -Loop time of 0.606363 on 4 procs for 2000 steps with 2138 atoms - -99.4% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 58029 0 2138 0.00010844499 0 1738 400 1.2724902e-11 1.0288781e-11 2.4361215e-12 -number of iterations: 5000 -maxz = 1.206895e-04 -S-sub-bulk = 7.451506e-03 -S-sub-base = 5.338957e-03 -S-nh4-bulk = 1.384946e-03 -S-nh4-base = 1.045260e-03 - - 58030 0.52446699 2215 0.00010879015 0 1815 400 1.3298661e-11 1.0823563e-11 2.4750979e-12 -Loop time of 0.524482 on 4 procs for 1 steps with 2215 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 58030 0 2215 0.00010879015 0 1815 400 1.3298661e-11 1.0823563e-11 2.4750979e-12 - 58058 0.013114929 2215 0.00010974858 0 1815 400 1.3298661e-11 1.0823563e-11 2.4750979e-12 - 59059 0.31308293 2215 0.0001112652 0 1815 400 1.3298661e-11 1.0823563e-11 2.4750979e-12 - 60030 0.55935907 2215 0.00011158567 0 1815 400 1.3298661e-11 1.0823563e-11 2.4750979e-12 -Loop time of 0.559381 on 4 procs for 2000 steps with 2215 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 60030 0 2215 0.00011158567 0 1815 400 1.3298661e-11 1.0823563e-11 2.4750979e-12 -number of iterations: 5000 -maxz = 1.227173e-04 -S-sub-bulk = 7.108920e-03 -S-sub-base = 4.633410e-03 -S-nh4-bulk = 1.377526e-03 -S-nh4-base = 9.967311e-04 - - 60031 0.48272896 2319 0.00011187038 0 1919 400 1.3866136e-11 1.1352464e-11 2.5136721e-12 -Loop time of 0.482743 on 4 procs for 1 steps with 2319 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 60031 0 2319 0.00011187038 0 1919 400 1.3866136e-11 1.1352464e-11 2.5136721e-12 - 60060 0.013872862 2319 0.00011314589 0 1919 400 1.3866136e-11 1.1352464e-11 2.5136721e-12 - 61061 0.36605 2319 0.00011570691 0 1919 400 1.3866136e-11 1.1352464e-11 2.5136721e-12 - 62031 0.65207291 2319 0.00011616084 0 1919 400 1.3866136e-11 1.1352464e-11 2.5136721e-12 -Loop time of 0.652095 on 4 procs for 2000 steps with 2319 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 62031 0 2319 0.00011616084 0 1919 400 1.3866136e-11 1.1352464e-11 2.5136721e-12 -number of iterations: 5000 -maxz = 1.294389e-04 -S-sub-bulk = 6.798655e-03 -S-sub-base = 4.121873e-03 -S-nh4-bulk = 1.358520e-03 -S-nh4-base = 9.795678e-04 - - 62032 0.54250002 2443 0.00011642957 0 2043 400 1.443612e-11 1.1883478e-11 2.5526422e-12 -Loop time of 0.542515 on 4 procs for 1 steps with 2443 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 62032 0 2443 0.00011642957 0 2043 400 1.443612e-11 1.1883478e-11 2.5526422e-12 - 62062 0.015004873 2443 0.00011769495 0 2043 400 1.443612e-11 1.1883478e-11 2.5526422e-12 - 63063 0.37566495 2443 0.0001202438 0 2043 400 1.443612e-11 1.1883478e-11 2.5526422e-12 - 64032 0.67811799 2443 0.00012063421 0 2043 400 1.443612e-11 1.1883478e-11 2.5526422e-12 -Loop time of 0.67814 on 4 procs for 2000 steps with 2443 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 64032 0 2443 0.00012063421 0 2043 400 1.443612e-11 1.1883478e-11 2.5526422e-12 -number of iterations: 5000 -maxz = 1.306376e-04 -S-sub-bulk = 6.466666e-03 -S-sub-base = 3.767051e-03 -S-nh4-bulk = 1.330218e-03 -S-nh4-base = 9.658974e-04 - - 64033 0.53700399 2551 0.00012087152 0 2151 400 1.5012912e-11 1.2420878e-11 2.5920346e-12 -Loop time of 0.537022 on 4 procs for 1 steps with 2551 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 64033 0 2551 0.00012087152 0 2151 400 1.5012912e-11 1.2420878e-11 2.5920346e-12 - 64064 0.019250154 2551 0.00012191124 0 2151 400 1.5012912e-11 1.2420878e-11 2.5920346e-12 - 65065 0.46342516 2551 0.00012355649 0 2151 400 1.5012912e-11 1.2420878e-11 2.5920346e-12 - 66033 0.84162116 2551 0.00012430586 0 2151 400 1.5012912e-11 1.2420878e-11 2.5920346e-12 -Loop time of 0.841651 on 4 procs for 2000 steps with 2551 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 66033 0 2551 0.00012430586 0 2151 400 1.5012912e-11 1.2420878e-11 2.5920346e-12 -number of iterations: 5000 -maxz = 1.332401e-04 -S-sub-bulk = 6.295080e-03 -S-sub-base = 3.326110e-03 -S-nh4-bulk = 1.321403e-03 -S-nh4-base = 9.181881e-04 - - 66034 0.59245181 2681 0.00012443343 0 2281 400 1.5578906e-11 1.2947998e-11 2.630908e-12 -Loop time of 0.592465 on 4 procs for 1 steps with 2681 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 66034 0 2681 0.00012443343 0 2281 400 1.5578906e-11 1.2947998e-11 2.630908e-12 - 66066 0.017191887 2681 0.00012561277 0 2281 400 1.5578906e-11 1.2947998e-11 2.630908e-12 - 67067 0.45364785 2681 0.000127459 0 2281 400 1.5578906e-11 1.2947998e-11 2.630908e-12 - 68034 0.80061793 2681 0.00012847308 0 2281 400 1.5578906e-11 1.2947998e-11 2.630908e-12 -Loop time of 0.800639 on 4 procs for 2000 steps with 2681 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 68034 0 2681 0.00012847308 0 2281 400 1.5578906e-11 1.2947998e-11 2.630908e-12 -number of iterations: 5000 -maxz = 1.366476e-04 -S-sub-bulk = 6.105087e-03 -S-sub-base = 3.012335e-03 -S-nh4-bulk = 1.303524e-03 -S-nh4-base = 8.982834e-04 - - 68035 0.55228591 2809 0.0001285416 0 2408 401 1.6147835e-11 1.3477736e-11 2.6700991e-12 -Loop time of 0.5523 on 4 procs for 1 steps with 2809 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 68035 0 2809 0.0001285416 0 2408 401 1.6147835e-11 1.3477736e-11 2.6700991e-12 - 68068 0.020354033 2809 0.00012969246 0 2408 401 1.6147835e-11 1.3477736e-11 2.6700991e-12 - 69069 0.43682909 2809 0.0001318796 0 2408 401 1.6147835e-11 1.3477736e-11 2.6700991e-12 - 70035 0.84477401 2809 0.00013231644 0 2408 401 1.6147835e-11 1.3477736e-11 2.6700991e-12 -Loop time of 0.844805 on 4 procs for 2000 steps with 2809 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 70035 0 2809 0.00013231644 0 2408 401 1.6147835e-11 1.3477736e-11 2.6700991e-12 -number of iterations: 5000 -maxz = 1.408693e-04 -S-sub-bulk = 5.853846e-03 -S-sub-base = 2.803090e-03 -S-nh4-bulk = 1.276917e-03 -S-nh4-base = 8.848392e-04 - - 70036 0.70646405 2928 0.00013241665 0 2517 411 1.672426e-11 1.4014579e-11 2.7096805e-12 -Loop time of 0.706481 on 4 procs for 1 steps with 2928 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 70036 0 2928 0.00013241665 0 2517 411 1.672426e-11 1.4014579e-11 2.7096805e-12 - 70070 0.026660919 2928 0.00013370813 0 2517 411 1.672426e-11 1.4014579e-11 2.7096805e-12 - 71071 0.54693699 2928 0.00013602056 0 2517 411 1.672426e-11 1.4014579e-11 2.7096805e-12 - 72036 0.94679093 2928 0.00013682222 0 2517 411 1.672426e-11 1.4014579e-11 2.7096805e-12 -Loop time of 0.946814 on 4 procs for 2000 steps with 2928 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 72036 0 2928 0.00013682222 0 2517 411 1.672426e-11 1.4014579e-11 2.7096805e-12 -number of iterations: 5000 -maxz = 1.461472e-04 -S-sub-bulk = 5.782145e-03 -S-sub-base = 2.500876e-03 -S-nh4-bulk = 1.271639e-03 -S-nh4-base = 8.415335e-04 - - 72037 0.55590296 3051 0.00013721406 0 2622 429 1.728597e-11 1.453731e-11 2.7486602e-12 -Loop time of 0.555917 on 4 procs for 1 steps with 3051 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 72037 0 3051 0.00013721406 0 2622 429 1.728597e-11 1.453731e-11 2.7486602e-12 - 72072 0.020847082 3051 0.00013837493 0 2622 429 1.728597e-11 1.453731e-11 2.7486602e-12 - 73073 0.45006204 3051 0.00014034797 0 2622 429 1.728597e-11 1.453731e-11 2.7486602e-12 - 74037 0.82626104 3051 0.00014111822 0 2622 429 1.728597e-11 1.453731e-11 2.7486602e-12 -Loop time of 0.826283 on 4 procs for 2000 steps with 3051 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 74037 0 3051 0.00014111822 0 2622 429 1.728597e-11 1.453731e-11 2.7486602e-12 -number of iterations: 5000 -maxz = 1.482234e-04 -S-sub-bulk = 5.659412e-03 -S-sub-base = 2.286004e-03 -S-nh4-bulk = 1.256842e-03 -S-nh4-base = 8.215798e-04 - - 74038 0.59994483 3161 0.00014119452 0 2717 444 1.7851199e-11 1.5063259e-11 2.7879401e-12 -Loop time of 0.599965 on 4 procs for 1 steps with 3161 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 74038 0 3161 0.00014119452 0 2717 444 1.7851199e-11 1.5063259e-11 2.7879401e-12 - 74074 0.023391962 3161 0.00014252354 0 2717 444 1.7851199e-11 1.5063259e-11 2.7879401e-12 - 75075 0.54221606 3161 0.00014429217 0 2717 444 1.7851199e-11 1.5063259e-11 2.7879401e-12 - 76038 0.96231699 3161 0.00014470641 0 2717 444 1.7851199e-11 1.5063259e-11 2.7879401e-12 -Loop time of 0.96234 on 4 procs for 2000 steps with 3161 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 76038 0 3161 0.00014470641 0 2717 444 1.7851199e-11 1.5063259e-11 2.7879401e-12 -number of iterations: 4367 -maxz = 1.522451e-04 -S-sub-bulk = 5.435989e-03 -S-sub-base = 2.165988e-03 -S-nh4-bulk = 1.233361e-03 -S-nh4-base = 8.099503e-04 - - 76039 0.48489308 3261 0.00014488616 0 2810 451 1.8425956e-11 1.5598377e-11 2.8275795e-12 -Loop time of 0.484907 on 4 procs for 1 steps with 3261 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 76039 0 3261 0.00014488616 0 2810 451 1.8425956e-11 1.5598377e-11 2.8275795e-12 - 76076 0.023957014 3261 0.00014585161 0 2810 451 1.8425956e-11 1.5598377e-11 2.8275795e-12 - 77077 0.50026202 3261 0.00014728469 0 2810 451 1.8425956e-11 1.5598377e-11 2.8275795e-12 - 78039 0.93646693 3261 0.00014805509 0 2810 451 1.8425956e-11 1.5598377e-11 2.8275795e-12 -Loop time of 0.936494 on 4 procs for 2000 steps with 3261 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 78039 0 3261 0.00014805509 0 2810 451 1.8425956e-11 1.5598377e-11 2.8275795e-12 -number of iterations: 5000 -maxz = 1.562797e-04 -S-sub-bulk = 5.464829e-03 -S-sub-base = 1.930443e-03 -S-nh4-bulk = 1.233363e-03 -S-nh4-base = 7.698526e-04 - - 78040 0.57874393 3367 0.00014816294 0 2906 461 1.8978338e-11 1.6111827e-11 2.8665103e-12 -Loop time of 0.578758 on 4 procs for 1 steps with 3367 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 78040 0 3367 0.00014816294 0 2906 461 1.8978338e-11 1.6111827e-11 2.8665103e-12 - 78078 0.025763035 3367 0.00014923643 0 2906 461 1.8978338e-11 1.6111827e-11 2.8665103e-12 - 79079 0.54098105 3367 0.00015061922 0 2906 461 1.8978338e-11 1.6111827e-11 2.8665103e-12 - 80040 0.97792697 3367 0.00015111522 0 2906 461 1.8978338e-11 1.6111827e-11 2.8665103e-12 -Loop time of 0.977953 on 4 procs for 2000 steps with 3367 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 80040 0 3367 0.00015111522 0 2906 461 1.8978338e-11 1.6111827e-11 2.8665103e-12 -number of iterations: 5000 -maxz = 1.608171e-04 -S-sub-bulk = 5.403077e-03 -S-sub-base = 1.772219e-03 -S-nh4-bulk = 1.223699e-03 -S-nh4-base = 7.512723e-04 - - 80041 0.76094699 3468 0.00015111163 0 2987 481 1.9535468e-11 1.6629771e-11 2.9056966e-12 -Loop time of 0.760967 on 4 procs for 1 steps with 3468 atoms - -99.4% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 80041 0 3468 0.00015111163 0 2987 481 1.9535468e-11 1.6629771e-11 2.9056966e-12 - 80080 0.034705877 3468 0.00015235613 0 2987 481 1.9535468e-11 1.6629771e-11 2.9056966e-12 - 81081 0.67440796 3468 0.00015459606 0 2987 481 1.9535468e-11 1.6629771e-11 2.9056966e-12 - 82041 1.1439748 3468 0.00015572419 0 2987 481 1.9535468e-11 1.6629771e-11 2.9056966e-12 -Loop time of 1.144 on 4 procs for 2000 steps with 3468 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 82041 0 3468 0.00015572419 0 2987 481 1.9535468e-11 1.6629771e-11 2.9056966e-12 -number of iterations: 5000 -maxz = 1.642468e-04 -S-sub-bulk = 5.467550e-03 -S-sub-base = 1.615361e-03 -S-nh4-bulk = 1.227405e-03 -S-nh4-base = 7.214044e-04 - - 82042 0.67558193 3568 0.00015588191 0 3075 493 2.0078414e-11 1.7134007e-11 2.9444071e-12 -Loop time of 0.675596 on 4 procs for 1 steps with 3568 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 82042 0 3568 0.00015588191 0 3075 493 2.0078414e-11 1.7134007e-11 2.9444071e-12 - 82082 0.030058146 3568 0.00015696739 0 3075 493 2.0078414e-11 1.7134007e-11 2.9444071e-12 - 83083 0.56434798 3568 0.00015872996 0 3075 493 2.0078414e-11 1.7134007e-11 2.9444071e-12 - 84042 1.001323 3568 0.0001591576 0 3075 493 2.0078414e-11 1.7134007e-11 2.9444071e-12 -Loop time of 1.00135 on 4 procs for 2000 steps with 3568 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 84042 0 3568 0.0001591576 0 3075 493 2.0078414e-11 1.7134007e-11 2.9444071e-12 -number of iterations: 3812 -maxz = 1.679789e-04 -S-sub-bulk = 5.378963e-03 -S-sub-base = 1.524000e-03 -S-nh4-bulk = 1.216556e-03 -S-nh4-base = 7.097696e-04 - - 84043 0.487293 3675 0.00015934058 0 3161 514 2.0631322e-11 1.7647807e-11 2.9835145e-12 -Loop time of 0.487308 on 4 procs for 1 steps with 3675 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 84043 0 3675 0.00015934058 0 3161 514 2.0631322e-11 1.7647807e-11 2.9835145e-12 - 84084 0.031593084 3675 0.00016061045 0 3161 514 2.0631322e-11 1.7647807e-11 2.9835145e-12 - 85085 0.56655598 3675 0.00016207713 0 3161 514 2.0631322e-11 1.7647807e-11 2.9835145e-12 - 86043 1.019906 3675 0.00016256392 0 3161 514 2.0631322e-11 1.7647807e-11 2.9835145e-12 -Loop time of 1.01993 on 4 procs for 2000 steps with 3675 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 86043 0 3675 0.00016256392 0 3161 514 2.0631322e-11 1.7647807e-11 2.9835145e-12 -number of iterations: 3424 -maxz = 1.720071e-04 -S-sub-bulk = 5.166427e-03 -S-sub-base = 1.471389e-03 -S-nh4-bulk = 1.194459e-03 -S-nh4-base = 7.024522e-04 - - 86044 0.43253493 3775 0.00016280384 0 3235 540 2.1195236e-11 1.8172199e-11 3.0230371e-12 -Loop time of 0.432554 on 4 procs for 1 steps with 3775 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 86044 0 3775 0.00016280384 0 3235 540 2.1195236e-11 1.8172199e-11 3.0230371e-12 - 86086 0.033946037 3775 0.0001640451 0 3235 540 2.1195236e-11 1.8172199e-11 3.0230371e-12 - 87087 0.60178018 3775 0.00016568149 0 3235 540 2.1195236e-11 1.8172199e-11 3.0230371e-12 - 88044 1.0822492 3775 0.00016654289 0 3235 540 2.1195236e-11 1.8172199e-11 3.0230371e-12 -Loop time of 1.08227 on 4 procs for 2000 steps with 3775 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 88044 0 3775 0.00016654289 0 3235 540 2.1195236e-11 1.8172199e-11 3.0230371e-12 -number of iterations: 5000 -maxz = 1.768707e-04 -S-sub-bulk = 5.260756e-03 -S-sub-base = 1.319501e-03 -S-nh4-bulk = 1.196625e-03 -S-nh4-base = 6.702336e-04 - - 88045 0.6588738 3878 0.00016680235 0 3319 559 2.1731377e-11 1.8669567e-11 3.0618103e-12 -Loop time of 0.658893 on 4 procs for 1 steps with 3878 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 88045 0 3878 0.00016680235 0 3319 559 2.1731377e-11 1.8669567e-11 3.0618103e-12 - 88088 0.035751104 3878 0.00016807127 0 3319 559 2.1731377e-11 1.8669567e-11 3.0618103e-12 - 89089 0.62381697 3878 0.00016949682 0 3319 559 2.1731377e-11 1.8669567e-11 3.0618103e-12 - 90045 1.114219 3878 0.00016986271 0 3319 559 2.1731377e-11 1.8669567e-11 3.0618103e-12 -Loop time of 1.11424 on 4 procs for 2000 steps with 3878 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 90045 0 3878 0.00016986271 0 3319 559 2.1731377e-11 1.8669567e-11 3.0618103e-12 -number of iterations: 4604 -maxz = 1.786734e-04 -S-sub-bulk = 5.229411e-03 -S-sub-base = 1.215720e-03 -S-nh4-bulk = 1.190732e-03 -S-nh4-base = 6.520350e-04 - - 90046 0.60808706 3952 0.00017001708 0 3383 569 2.2273965e-11 1.9173204e-11 3.1007613e-12 -Loop time of 0.608101 on 4 procs for 1 steps with 3952 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 90046 0 3952 0.00017001708 0 3383 569 2.2273965e-11 1.9173204e-11 3.1007613e-12 - 90090 0.03691411 3952 0.00017099632 0 3383 569 2.2273965e-11 1.9173204e-11 3.1007613e-12 - 91091 0.63031197 3952 0.000172651 0 3383 569 2.2273965e-11 1.9173204e-11 3.1007613e-12 - 92046 1.1361701 3952 0.00017302337 0 3383 569 2.2273965e-11 1.9173204e-11 3.1007613e-12 -Loop time of 1.13619 on 4 procs for 2000 steps with 3952 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 92046 0 3952 0.00017302337 0 3383 569 2.2273965e-11 1.9173204e-11 3.1007613e-12 -number of iterations: 1315 -maxz = 1.816145e-04 -S-sub-bulk = 4.995924e-03 -S-sub-base = 1.198919e-03 -S-nh4-bulk = 1.170512e-03 -S-nh4-base = 6.489691e-04 - - 92047 0.18196797 4042 0.00017316176 0 3459 583 2.283364e-11 1.9693448e-11 3.1401914e-12 -Loop time of 0.181987 on 4 procs for 1 steps with 4042 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 92047 0 4042 0.00017316176 0 3459 583 2.283364e-11 1.9693448e-11 3.1401914e-12 - 92092 0.039377928 4042 0.0001743674 0 3459 583 2.283364e-11 1.9693448e-11 3.1401914e-12 - 93093 0.67730093 4042 0.00017603757 0 3459 583 2.283364e-11 1.9693448e-11 3.1401914e-12 - 94047 1.2231991 4042 0.00017655682 0 3459 583 2.283364e-11 1.9693448e-11 3.1401914e-12 -Loop time of 1.22322 on 4 procs for 2000 steps with 4042 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 94047 0 4042 0.00017655682 0 3459 583 2.283364e-11 1.9693448e-11 3.1401914e-12 -number of iterations: 5000 -maxz = 1.843094e-04 -S-sub-bulk = 5.149433e-03 -S-sub-base = 1.072539e-03 -S-nh4-bulk = 1.178168e-03 -S-nh4-base = 6.175222e-04 - - 94048 0.73550296 4148 0.0001767029 0 3556 592 2.3358381e-11 2.0179656e-11 3.178725e-12 -Loop time of 0.735518 on 4 procs for 1 steps with 4148 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 94048 0 4148 0.0001767029 0 3556 592 2.3358381e-11 2.0179656e-11 3.178725e-12 - 94094 0.042078018 4148 0.00017796379 0 3556 592 2.3358381e-11 2.0179656e-11 3.178725e-12 - 95095 0.71911907 4148 0.00017959267 0 3556 592 2.3358381e-11 2.0179656e-11 3.178725e-12 - 96048 1.222003 4148 0.00017991991 0 3556 592 2.3358381e-11 2.0179656e-11 3.178725e-12 -Loop time of 1.22203 on 4 procs for 2000 steps with 4148 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 96048 0 4148 0.00017991991 0 3556 592 2.3358381e-11 2.0179656e-11 3.178725e-12 -number of iterations: 4270 -maxz = 1.898011e-04 -S-sub-bulk = 5.139982e-03 -S-sub-base = 9.868613e-04 -S-nh4-bulk = 1.174395e-03 -S-nh4-base = 6.013816e-04 - - 96049 0.61145401 4251 0.00018022268 0 3645 606 2.3891748e-11 2.0674243e-11 3.2175057e-12 -Loop time of 0.611468 on 4 procs for 1 steps with 4251 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 96049 0 4251 0.00018022268 0 3645 606 2.3891748e-11 2.0674243e-11 3.2175057e-12 - 96096 0.042696953 4251 0.00018160445 0 3645 606 2.3891748e-11 2.0674243e-11 3.2175057e-12 - 97097 0.68740082 4251 0.00018335299 0 3645 606 2.3891748e-11 2.0674243e-11 3.2175057e-12 - 98049 1.2372458 4251 0.0001838704 0 3645 606 2.3891748e-11 2.0674243e-11 3.2175057e-12 -Loop time of 1.23727 on 4 procs for 2000 steps with 4251 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 98049 0 4251 0.0001838704 0 3645 606 2.3891748e-11 2.0674243e-11 3.2175057e-12 -number of iterations: 666 -maxz = 1.938983e-04 -S-sub-bulk = 4.896467e-03 -S-sub-base = 9.805071e-04 -S-nh4-bulk = 1.153746e-03 -S-nh4-base = 5.997103e-04 - - 98050 0.11006212 4348 0.0001841051 0 3735 613 2.4444797e-11 2.118796e-11 3.2568371e-12 -Loop time of 0.110077 on 4 procs for 1 steps with 4348 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 98050 0 4348 0.0001841051 0 3735 613 2.4444797e-11 2.118796e-11 3.2568371e-12 - 98098 0.046839952 4348 0.00018537243 0 3735 613 2.4444797e-11 2.118796e-11 3.2568371e-12 - 99099 0.74522495 4348 0.00018704554 0 3735 613 2.4444797e-11 2.118796e-11 3.2568371e-12 - 100050 1.3380289 4348 0.00018773736 0 3735 613 2.4444797e-11 2.118796e-11 3.2568371e-12 -Loop time of 1.33806 on 4 procs for 2000 steps with 4348 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 100050 0 4348 0.00018773736 0 3735 613 2.4444797e-11 2.118796e-11 3.2568371e-12 -number of iterations: 5000 -maxz = 1.964633e-04 -S-sub-bulk = 5.052695e-03 -S-sub-base = 8.836542e-04 -S-nh4-bulk = 1.162133e-03 -S-nh4-base = 5.715420e-04 - - 100051 0.87467003 4454 0.00018800977 0 3827 627 2.4961968e-11 2.1666734e-11 3.2952348e-12 -Loop time of 0.874684 on 4 procs for 1 steps with 4454 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 100051 0 4454 0.00018800977 0 3827 627 2.4961968e-11 2.1666734e-11 3.2952348e-12 - 100100 0.055253029 4454 0.00018931002 0 3827 627 2.4961968e-11 2.1666734e-11 3.2952348e-12 - 101101 0.81628418 4454 0.00019072612 0 3827 627 2.4961968e-11 2.1666734e-11 3.2952348e-12 - 102051 1.474607 4454 0.0001911452 0 3827 627 2.4961968e-11 2.1666734e-11 3.2952348e-12 -Loop time of 1.47464 on 4 procs for 2000 steps with 4454 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 102051 0 4454 0.0001911452 0 3827 627 2.4961968e-11 2.1666734e-11 3.2952348e-12 -number of iterations: 4354 -maxz = 1.996993e-04 -S-sub-bulk = 5.045435e-03 -S-sub-base = 8.113947e-04 -S-nh4-bulk = 1.162794e-03 -S-nh4-base = 5.544853e-04 - - 102052 0.73094797 4540 0.00019134311 0 3899 641 2.548766e-11 2.2153919e-11 3.3337404e-12 -Loop time of 0.730963 on 4 procs for 1 steps with 4540 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 102052 0 4540 0.00019134311 0 3899 641 2.548766e-11 2.2153919e-11 3.3337404e-12 - 102102 0.051749945 4540 0.00019256347 0 3899 641 2.548766e-11 2.2153919e-11 3.3337404e-12 - 103103 0.787709 4540 0.00019405506 0 3899 641 2.548766e-11 2.2153919e-11 3.3337404e-12 - 104052 1.3435459 4540 0.00019411798 0 3899 641 2.548766e-11 2.2153919e-11 3.3337404e-12 -Loop time of 1.34358 on 4 procs for 2000 steps with 4540 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 104052 0 4540 0.00019411798 0 3899 641 2.548766e-11 2.2153919e-11 3.3337404e-12 -number of iterations: 689 -maxz = 2.032701e-04 -S-sub-bulk = 4.822646e-03 -S-sub-base = 8.062573e-04 -S-nh4-bulk = 1.146985e-03 -S-nh4-base = 5.527353e-04 - - 104053 0.15786004 4621 0.00019424227 0 3971 650 2.603122e-11 2.2658479e-11 3.3727409e-12 -Loop time of 0.157879 on 4 procs for 1 steps with 4621 atoms - -96.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 104053 0 4621 0.00019424227 0 3971 650 2.603122e-11 2.2658479e-11 3.3727409e-12 - 104104 0.068953037 4621 0.00019537055 0 3971 650 2.603122e-11 2.2658479e-11 3.3727409e-12 - 105105 0.93545198 4621 0.00019708246 0 3971 650 2.603122e-11 2.2658479e-11 3.3727409e-12 - 106053 1.703146 4621 0.00019741294 0 3971 650 2.603122e-11 2.2658479e-11 3.3727409e-12 -Loop time of 1.70317 on 4 procs for 2000 steps with 4621 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 106053 0 4621 0.00019741294 0 3971 650 2.603122e-11 2.2658479e-11 3.3727409e-12 -number of iterations: 5000 -maxz = 2.061777e-04 -S-sub-bulk = 5.022364e-03 -S-sub-base = 7.300302e-04 -S-nh4-bulk = 1.156843e-03 -S-nh4-base = 5.288445e-04 - - 106054 1.0175409 4728 0.00019749591 0 4064 664 2.6536374e-11 2.312549e-11 3.4108837e-12 -Loop time of 1.01756 on 4 procs for 1 steps with 4728 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 106054 0 4728 0.00019749591 0 4064 664 2.6536374e-11 2.312549e-11 3.4108837e-12 - 106106 0.066339016 4728 0.00019877802 0 4064 664 2.6536374e-11 2.312549e-11 3.4108837e-12 - 107107 0.97093701 4728 0.00020038845 0 4064 664 2.6536374e-11 2.312549e-11 3.4108837e-12 - 108054 1.8040051 4728 0.00020086005 0 4064 664 2.6536374e-11 2.312549e-11 3.4108837e-12 -Loop time of 1.80403 on 4 procs for 2000 steps with 4728 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 108054 0 4728 0.00020086005 0 4064 664 2.6536374e-11 2.312549e-11 3.4108837e-12 -number of iterations: 4034 -maxz = 2.128733e-04 -S-sub-bulk = 5.011958e-03 -S-sub-base = 6.721601e-04 -S-nh4-bulk = 1.157574e-03 -S-nh4-base = 5.144585e-04 - - 108055 0.804281 4838 0.00020111766 0 4164 674 2.7053477e-11 2.3604306e-11 3.4491718e-12 -Loop time of 0.804296 on 4 procs for 1 steps with 4838 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 108055 0 4838 0.00020111766 0 4164 674 2.7053477e-11 2.3604306e-11 3.4491718e-12 - 108108 0.063923836 4838 0.00020254126 0 4164 674 2.7053477e-11 2.3604306e-11 3.4491718e-12 - 109109 1.0557849 4838 0.00020393752 0 4164 674 2.7053477e-11 2.3604306e-11 3.4491718e-12 - 110055 1.7795429 4838 0.00020414029 0 4164 674 2.7053477e-11 2.3604306e-11 3.4491718e-12 -Loop time of 1.77957 on 4 procs for 2000 steps with 4838 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 110055 0 4838 0.00020414029 0 4164 674 2.7053477e-11 2.3604306e-11 3.4491718e-12 -number of iterations: 5000 -maxz = 2.142332e-04 -S-sub-bulk = 5.174776e-03 -S-sub-base = 6.277331e-04 -S-nh4-bulk = 1.172834e-03 -S-nh4-base = 4.962834e-04 - - 110056 0.97906685 4936 0.00020443568 0 4257 679 2.7550807e-11 2.406396e-11 3.4868471e-12 -Loop time of 0.979081 on 4 procs for 1 steps with 4936 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 110056 0 4936 0.00020443568 0 4257 679 2.7550807e-11 2.406396e-11 3.4868471e-12 - 110110 0.073308945 4936 0.00020558639 0 4257 679 2.7550807e-11 2.406396e-11 3.4868471e-12 - 111111 1.0010941 4936 0.00020698752 0 4257 679 2.7550807e-11 2.406396e-11 3.4868471e-12 - 112056 1.833606 4936 0.00020729756 0 4257 679 2.7550807e-11 2.406396e-11 3.4868471e-12 -Loop time of 1.83364 on 4 procs for 2000 steps with 4936 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 112056 0 4936 0.00020729756 0 4257 679 2.7550807e-11 2.406396e-11 3.4868471e-12 -number of iterations: 3263 -maxz = 2.171468e-04 -S-sub-bulk = 5.122830e-03 -S-sub-base = 5.960209e-04 -S-nh4-bulk = 1.172051e-03 -S-nh4-base = 4.871317e-04 - - 112057 0.64041495 5036 0.00020749896 0 4349 687 2.8061706e-11 2.4536839e-11 3.5248664e-12 -Loop time of 0.640432 on 4 procs for 1 steps with 5036 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 112057 0 5036 0.00020749896 0 4349 687 2.8061706e-11 2.4536839e-11 3.5248664e-12 - 112112 0.062942982 5036 0.00020890119 0 4349 687 2.8061706e-11 2.4536839e-11 3.5248664e-12 - 113113 0.87022781 5036 0.00021065461 0 4349 687 2.8061706e-11 2.4536839e-11 3.5248664e-12 - 114057 1.5406048 5036 0.00021146301 0 4349 687 2.8061706e-11 2.4536839e-11 3.5248664e-12 -Loop time of 1.54063 on 4 procs for 2000 steps with 5036 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 114057 0 5036 0.00021146301 0 4349 687 2.8061706e-11 2.4536839e-11 3.5248664e-12 -number of iterations: 536 -maxz = 2.221683e-04 -S-sub-bulk = 4.852639e-03 -S-sub-base = 5.930363e-04 -S-nh4-bulk = 1.154362e-03 -S-nh4-base = 4.862448e-04 - - 114058 0.10322595 5147 0.00021165438 0 4457 690 2.8591976e-11 2.5028565e-11 3.5634112e-12 -Loop time of 0.103241 on 4 procs for 1 steps with 5147 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 114058 0 5147 0.00021165438 0 4457 690 2.8591976e-11 2.5028565e-11 3.5634112e-12 - 114114 0.068511963 5147 0.00021290289 0 4457 690 2.8591976e-11 2.5028565e-11 3.5634112e-12 - 115115 0.95968509 5147 0.00021457048 0 4457 690 2.8591976e-11 2.5028565e-11 3.5634112e-12 - 116058 1.8600061 5147 0.000215158 0 4457 690 2.8591976e-11 2.5028565e-11 3.5634112e-12 -Loop time of 1.86003 on 4 procs for 2000 steps with 5147 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 116058 0 5147 0.000215158 0 4457 690 2.8591976e-11 2.5028565e-11 3.5634112e-12 -number of iterations: 5000 -maxz = 2.247680e-04 -S-sub-bulk = 5.033827e-03 -S-sub-base = 5.451036e-04 -S-nh4-bulk = 1.161610e-03 -S-nh4-base = 4.683187e-04 - - 116059 0.98264909 5247 0.00021526997 0 4551 696 2.9082446e-11 2.5481301e-11 3.6011451e-12 -Loop time of 0.982664 on 4 procs for 1 steps with 5247 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 116059 0 5247 0.00021526997 0 4551 696 2.9082446e-11 2.5481301e-11 3.6011451e-12 - 116116 0.071023941 5247 0.00021642061 0 4551 696 2.9082446e-11 2.5481301e-11 3.6011451e-12 - 117117 0.92678499 5247 0.00021749091 0 4551 696 2.9082446e-11 2.5481301e-11 3.6011451e-12 - 118059 1.616473 5247 0.00021796396 0 4551 696 2.9082446e-11 2.5481301e-11 3.6011451e-12 -Loop time of 1.61649 on 4 procs for 2000 steps with 5247 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 118059 0 5247 0.00021796396 0 4551 696 2.9082446e-11 2.5481301e-11 3.6011451e-12 -number of iterations: 5000 -maxz = 2.266396e-04 -S-sub-bulk = 5.073710e-03 -S-sub-base = 4.908730e-04 -S-nh4-bulk = 1.166960e-03 -S-nh4-base = 4.522228e-04 - - 118060 0.88244891 5346 0.00021811969 0 4645 701 2.9578702e-11 2.593991e-11 3.6387918e-12 -Loop time of 0.882468 on 4 procs for 1 steps with 5346 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 118060 0 5346 0.00021811969 0 4645 701 2.9578702e-11 2.593991e-11 3.6387918e-12 - 118118 0.070670128 5346 0.00021947482 0 4645 701 2.9578702e-11 2.593991e-11 3.6387918e-12 - 119119 0.96194005 5346 0.00022111441 0 4645 701 2.9578702e-11 2.593991e-11 3.6387918e-12 - 120060 1.763788 5346 0.00022210569 0 4645 701 2.9578702e-11 2.593991e-11 3.6387918e-12 -Loop time of 1.76381 on 4 procs for 2000 steps with 5346 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 120060 0 5346 0.00022210569 0 4645 701 2.9578702e-11 2.593991e-11 3.6387918e-12 -number of iterations: 475 -maxz = 2.316830e-04 -S-sub-bulk = 4.866269e-03 -S-sub-base = 4.885158e-04 -S-nh4-bulk = 1.154253e-03 -S-nh4-base = 4.511651e-04 - - 120061 0.084949017 5428 0.00022227715 0 4720 708 3.0094844e-11 2.6417896e-11 3.6769475e-12 -Loop time of 0.0849624 on 4 procs for 1 steps with 5428 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 120061 0 5428 0.00022227715 0 4720 708 3.0094844e-11 2.6417896e-11 3.6769475e-12 - 120120 0.069576025 5428 0.00022356716 0 4720 708 3.0094844e-11 2.6417896e-11 3.6769475e-12 - 121121 0.92586684 5428 0.00022523818 0 4720 708 3.0094844e-11 2.6417896e-11 3.6769475e-12 - 122061 1.6222119 5428 0.00022556377 0 4720 708 3.0094844e-11 2.6417896e-11 3.6769475e-12 -Loop time of 1.62223 on 4 procs for 2000 steps with 5428 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 122061 0 5428 0.00022556377 0 4720 708 3.0094844e-11 2.6417896e-11 3.6769475e-12 -number of iterations: 5000 -maxz = 2.337260e-04 -S-sub-bulk = 5.025876e-03 -S-sub-base = 4.545865e-04 -S-nh4-bulk = 1.163660e-03 -S-nh4-base = 4.348414e-04 - - 122062 0.90784693 5546 0.00022587149 0 4831 715 3.057772e-11 2.6863373e-11 3.7143469e-12 -Loop time of 0.907862 on 4 procs for 1 steps with 5546 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 122062 0 5546 0.00022587149 0 4831 715 3.057772e-11 2.6863373e-11 3.7143469e-12 - 122122 0.077239037 5546 0.0002273902 0 4831 715 3.057772e-11 2.6863373e-11 3.7143469e-12 - 123123 0.99852204 5546 0.00022882893 0 4831 715 3.057772e-11 2.6863373e-11 3.7143469e-12 - 124062 1.7840941 5546 0.00022921841 0 4831 715 3.057772e-11 2.6863373e-11 3.7143469e-12 -Loop time of 1.78412 on 4 procs for 2000 steps with 5546 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 124062 0 5546 0.00022921841 0 4831 715 3.057772e-11 2.6863373e-11 3.7143469e-12 -number of iterations: 4772 -maxz = 2.375665e-04 -S-sub-bulk = 5.029509e-03 -S-sub-base = 4.151398e-04 -S-nh4-bulk = 1.169884e-03 -S-nh4-base = 4.207257e-04 - - 124063 0.87053585 5632 0.00022936265 0 4911 721 3.1068385e-11 2.73167e-11 3.7516857e-12 -Loop time of 0.870551 on 4 procs for 1 steps with 5632 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 124063 0 5632 0.00022936265 0 4911 721 3.1068385e-11 2.73167e-11 3.7516857e-12 - 124124 0.077877998 5632 0.00023075784 0 4911 721 3.1068385e-11 2.73167e-11 3.7516857e-12 - 125125 0.99055409 5632 0.00023225159 0 4911 721 3.1068385e-11 2.73167e-11 3.7516857e-12 - 126063 1.765079 5632 0.00023282367 0 4911 721 3.1068385e-11 2.73167e-11 3.7516857e-12 -Loop time of 1.7651 on 4 procs for 2000 steps with 5632 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 126063 0 5632 0.00023282367 0 4911 721 3.1068385e-11 2.73167e-11 3.7516857e-12 -number of iterations: 411 -maxz = 2.430777e-04 -S-sub-bulk = 4.802177e-03 -S-sub-base = 4.135446e-04 -S-nh4-bulk = 1.158189e-03 -S-nh4-base = 4.199453e-04 - - 126064 0.085867882 5733 0.00023307052 0 5002 731 3.1578325e-11 2.7788804e-11 3.7895211e-12 -Loop time of 0.0858829 on 4 procs for 1 steps with 5733 atoms - -98.3% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 126064 0 5733 0.00023307052 0 5002 731 3.1578325e-11 2.7788804e-11 3.7895211e-12 - 126126 0.080513 5733 0.00023402243 0 5002 731 3.1578325e-11 2.7788804e-11 3.7895211e-12 - 127127 1.0301578 5733 0.00023543178 0 5002 731 3.1578325e-11 2.7788804e-11 3.7895211e-12 - 128064 1.8569269 5733 0.00023620454 0 5002 731 3.1578325e-11 2.7788804e-11 3.7895211e-12 -Loop time of 1.85695 on 4 procs for 2000 steps with 5733 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 128064 0 5733 0.00023620454 0 5002 731 3.1578325e-11 2.7788804e-11 3.7895211e-12 -number of iterations: 5000 -maxz = 2.475718e-04 -S-sub-bulk = 4.987410e-03 -S-sub-base = 3.857304e-04 -S-nh4-bulk = 1.167555e-03 -S-nh4-base = 4.055451e-04 - - 128065 0.92385697 5831 0.00023628741 0 5087 744 3.2051269e-11 2.8224639e-11 3.8266295e-12 -Loop time of 0.923872 on 4 procs for 1 steps with 5831 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 128065 0 5831 0.00023628741 0 5087 744 3.2051269e-11 2.8224639e-11 3.8266295e-12 - 128128 0.085134029 5831 0.00023733431 0 5087 744 3.2051269e-11 2.8224639e-11 3.8266295e-12 - 129129 1.004122 5831 0.00023889543 0 5087 744 3.2051269e-11 2.8224639e-11 3.8266295e-12 - 130065 1.7753708 5831 0.00023926838 0 5087 744 3.2051269e-11 2.8224639e-11 3.8266295e-12 -Loop time of 1.7754 on 4 procs for 2000 steps with 5831 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 130065 0 5831 0.00023926838 0 5087 744 3.2051269e-11 2.8224639e-11 3.8266295e-12 -number of iterations: 5000 -maxz = 2.479416e-04 -S-sub-bulk = 5.004284e-03 -S-sub-base = 3.492515e-04 -S-nh4-bulk = 1.174269e-03 -S-nh4-base = 3.925091e-04 - - 130066 0.97283912 5920 0.00023933434 0 5165 755 3.2532578e-11 2.8668918e-11 3.8636596e-12 -Loop time of 0.972854 on 4 procs for 1 steps with 5920 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 130066 0 5920 0.00023933434 0 5165 755 3.2532578e-11 2.8668918e-11 3.8636596e-12 - 130130 0.090790033 5920 0.00024067868 0 5165 755 3.2532578e-11 2.8668918e-11 3.8636596e-12 - 131131 1.3861251 5920 0.00024184046 0 5165 755 3.2532578e-11 2.8668918e-11 3.8636596e-12 - 132066 2.5050571 5920 0.00024225915 0 5165 755 3.2532578e-11 2.8668918e-11 3.8636596e-12 -Loop time of 2.50508 on 4 procs for 2000 steps with 5920 atoms - -99.2% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 132066 0 5920 0.00024225915 0 5165 755 3.2532578e-11 2.8668918e-11 3.8636596e-12 -number of iterations: 313 -maxz = 2.505581e-04 -S-sub-bulk = 4.800054e-03 -S-sub-base = 3.482403e-04 -S-nh4-bulk = 1.163687e-03 -S-nh4-base = 3.919435e-04 - - 132067 0.086606026 6012 0.00024239576 0 5251 761 3.3031929e-11 2.9130769e-11 3.9011601e-12 -Loop time of 0.086621 on 4 procs for 1 steps with 6012 atoms - -98.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 132067 0 6012 0.00024239576 0 5251 761 3.3031929e-11 2.9130769e-11 3.9011601e-12 - 132132 0.11843586 6012 0.00024412363 0 5251 761 3.3031929e-11 2.9130769e-11 3.9011601e-12 - 133133 1.4370549 6012 0.00024567646 0 5251 761 3.3031929e-11 2.9130769e-11 3.9011601e-12 - 134067 2.492897 6012 0.00024618318 0 5251 761 3.3031929e-11 2.9130769e-11 3.9011601e-12 -Loop time of 2.49294 on 4 procs for 2000 steps with 6012 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 134067 0 6012 0.00024618318 0 5251 761 3.3031929e-11 2.9130769e-11 3.9011601e-12 -number of iterations: 5000 -maxz = 2.534802e-04 -S-sub-bulk = 4.979972e-03 -S-sub-base = 3.267992e-04 -S-nh4-bulk = 1.174406e-03 -S-nh4-base = 3.788765e-04 - - 134068 1.1751699 6112 0.00024635561 0 5348 764 3.3496443e-11 2.9558528e-11 3.9379156e-12 -Loop time of 1.17518 on 4 procs for 1 steps with 6112 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 134068 0 6112 0.00024635561 0 5348 764 3.3496443e-11 2.9558528e-11 3.9379156e-12 - 134134 0.095597982 6112 0.00024759113 0 5348 764 3.3496443e-11 2.9558528e-11 3.9379156e-12 - 135135 1.32025 6112 0.00024890118 0 5348 764 3.3496443e-11 2.9558528e-11 3.9379156e-12 - 136068 2.1083062 6112 0.00024974441 0 5348 764 3.3496443e-11 2.9558528e-11 3.9379156e-12 -Loop time of 2.10833 on 4 procs for 2000 steps with 6112 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 136068 0 6112 0.00024974441 0 5348 764 3.3496443e-11 2.9558528e-11 3.9379156e-12 -number of iterations: 5000 -maxz = 2.584911e-04 -S-sub-bulk = 4.969751e-03 -S-sub-base = 2.971377e-04 -S-nh4-bulk = 1.181515e-03 -S-nh4-base = 3.666947e-04 - - 136069 0.97835898 6196 0.00024998311 0 5428 768 3.3971591e-11 2.9996975e-11 3.9746158e-12 -Loop time of 0.978374 on 4 procs for 1 steps with 6196 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 136069 0 6196 0.00024998311 0 5428 768 3.3971591e-11 2.9996975e-11 3.9746158e-12 - 136136 0.095391035 6196 0.0002511982 0 5428 768 3.3971591e-11 2.9996975e-11 3.9746158e-12 - 137137 1.0357051 6196 0.00025201853 0 5428 768 3.3971591e-11 2.9996975e-11 3.9746158e-12 - 138069 1.8373051 6196 0.0002527166 0 5428 768 3.3971591e-11 2.9996975e-11 3.9746158e-12 -Loop time of 1.83733 on 4 procs for 2000 steps with 6196 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 138069 0 6196 0.0002527166 0 5428 768 3.3971591e-11 2.9996975e-11 3.9746158e-12 -number of iterations: 241 -maxz = 2.608531e-04 -S-sub-bulk = 4.758120e-03 -S-sub-base = 2.964528e-04 -S-nh4-bulk = 1.171657e-03 -S-nh4-base = 3.661989e-04 - - 138070 0.049795151 6279 0.00025268533 0 5507 772 3.4463625e-11 3.0451854e-11 4.0117714e-12 -Loop time of 0.049808 on 4 procs for 1 steps with 6279 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 138070 0 6279 0.00025268533 0 5507 772 3.4463625e-11 3.0451854e-11 4.0117714e-12 - 138138 0.091255903 6279 0.00025417273 0 5507 772 3.4463625e-11 3.0451854e-11 4.0117714e-12 - 139139 1.080792 6279 0.000255577 0 5507 772 3.4463625e-11 3.0451854e-11 4.0117714e-12 - 140070 1.9945691 6279 0.00025593857 0 5507 772 3.4463625e-11 3.0451854e-11 4.0117714e-12 -Loop time of 1.99459 on 4 procs for 2000 steps with 6279 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 140070 0 6279 0.00025593857 0 5507 772 3.4463625e-11 3.0451854e-11 4.0117714e-12 -number of iterations: 5000 -maxz = 2.675637e-04 -S-sub-bulk = 4.943075e-03 -S-sub-base = 2.794222e-04 -S-nh4-bulk = 1.181936e-03 -S-nh4-base = 3.547522e-04 - - 140071 1.0108991 6370 0.00025614604 0 5595 775 3.4919918e-11 3.08717e-11 4.0482185e-12 -Loop time of 1.01091 on 4 procs for 1 steps with 6370 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 140071 0 6370 0.00025614604 0 5595 775 3.4919918e-11 3.08717e-11 4.0482185e-12 - 140140 0.095782995 6370 0.00025734357 0 5595 775 3.4919918e-11 3.08717e-11 4.0482185e-12 - 141141 1.1417022 6370 0.00025892544 0 5595 775 3.4919918e-11 3.08717e-11 4.0482185e-12 - 142071 2.1020701 6370 0.0002594826 0 5595 775 3.4919918e-11 3.08717e-11 4.0482185e-12 -Loop time of 2.1021 on 4 procs for 2000 steps with 6370 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 142071 0 6370 0.0002594826 0 5595 775 3.4919918e-11 3.08717e-11 4.0482185e-12 -number of iterations: 5000 -maxz = 2.690427e-04 -S-sub-bulk = 4.949576e-03 -S-sub-base = 2.532843e-04 -S-nh4-bulk = 1.190279e-03 -S-nh4-base = 3.433139e-04 - - 142072 0.95851111 6440 0.00025965918 0 5662 778 3.5385614e-11 3.1301058e-11 4.0845555e-12 -Loop time of 0.958525 on 4 procs for 1 steps with 6440 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 142072 0 6440 0.00025965918 0 5662 778 3.5385614e-11 3.1301058e-11 4.0845555e-12 - 142142 0.097339153 6440 0.0002606925 0 5662 778 3.5385614e-11 3.1301058e-11 4.0845555e-12 - 143143 1.0536141 6440 0.00026175506 0 5662 778 3.5385614e-11 3.1301058e-11 4.0845555e-12 - 144072 1.9092391 6440 0.00026240719 0 5662 778 3.5385614e-11 3.1301058e-11 4.0845555e-12 -Loop time of 1.90927 on 4 procs for 2000 steps with 6440 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 144072 0 6440 0.00026240719 0 5662 778 3.5385614e-11 3.1301058e-11 4.0845555e-12 -number of iterations: 439 -maxz = 2.710686e-04 -S-sub-bulk = 4.754877e-03 -S-sub-base = 2.521672e-04 -S-nh4-bulk = 1.183190e-03 -S-nh4-base = 3.425838e-04 - - 144073 0.096564054 6526 0.00026256861 0 5745 781 3.5867752e-11 3.1746469e-11 4.1212825e-12 -Loop time of 0.0965781 on 4 procs for 1 steps with 6526 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 144073 0 6526 0.00026256861 0 5745 781 3.5867752e-11 3.1746469e-11 4.1212825e-12 - 144144 0.13663316 6526 0.00026369536 0 5745 781 3.5867752e-11 3.1746469e-11 4.1212825e-12 - 145145 1.3080142 6526 0.0002655247 0 5745 781 3.5867752e-11 3.1746469e-11 4.1212825e-12 - 146073 2.1771271 6526 0.00026611249 0 5745 781 3.5867752e-11 3.1746469e-11 4.1212825e-12 -Loop time of 2.17716 on 4 procs for 2000 steps with 6526 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 146073 0 6526 0.00026611249 0 5745 781 3.5867752e-11 3.1746469e-11 4.1212825e-12 -number of iterations: 5000 -maxz = 2.755697e-04 -S-sub-bulk = 4.954739e-03 -S-sub-base = 2.384192e-04 -S-nh4-bulk = 1.196616e-03 -S-nh4-base = 3.321057e-04 - - 146074 1.1256959 6610 0.0002662845 0 5823 787 3.6313944e-11 3.2156681e-11 4.1572627e-12 -Loop time of 1.12571 on 4 procs for 1 steps with 6610 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 146074 0 6610 0.0002662845 0 5823 787 3.6313944e-11 3.2156681e-11 4.1572627e-12 - 146146 0.10199499 6610 0.00026716749 0 5823 787 3.6313944e-11 3.2156681e-11 4.1572627e-12 - 147147 1.2098081 6610 0.00026843612 0 5823 787 3.6313944e-11 3.2156681e-11 4.1572627e-12 - 148074 2.0916321 6610 0.00026965203 0 5823 787 3.6313944e-11 3.2156681e-11 4.1572627e-12 -Loop time of 2.09166 on 4 procs for 2000 steps with 6610 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 148074 0 6610 0.00026965203 0 5823 787 3.6313944e-11 3.2156681e-11 4.1572627e-12 -number of iterations: 5000 -maxz = 2.782698e-04 -S-sub-bulk = 4.951993e-03 -S-sub-base = 2.158797e-04 -S-nh4-bulk = 1.207880e-03 -S-nh4-base = 3.214993e-04 - - 148075 0.97527313 6688 0.00026980265 0 5897 791 3.6771497e-11 3.2578384e-11 4.1931131e-12 -Loop time of 0.975288 on 4 procs for 1 steps with 6688 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 148075 0 6688 0.00026980265 0 5897 791 3.6771497e-11 3.2578384e-11 4.1931131e-12 - 148148 0.10596418 6688 0.00027092921 0 5897 791 3.6771497e-11 3.2578384e-11 4.1931131e-12 - 149149 1.2809331 6688 0.0002718805 0 5897 791 3.6771497e-11 3.2578384e-11 4.1931131e-12 - 150075 2.2021551 6688 0.00027231581 0 5897 791 3.6771497e-11 3.2578384e-11 4.1931131e-12 -Loop time of 2.20218 on 4 procs for 2000 steps with 6688 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 150075 0 6688 0.00027231581 0 5897 791 3.6771497e-11 3.2578384e-11 4.1931131e-12 -number of iterations: 376 -maxz = 2.828286e-04 -S-sub-bulk = 4.757236e-03 -S-sub-base = 2.150081e-04 -S-nh4-bulk = 1.203543e-03 -S-nh4-base = 3.208355e-04 - - 150076 0.082505941 6771 0.00027257271 0 5979 792 3.7244887e-11 3.3015554e-11 4.229333e-12 -Loop time of 0.0825205 on 4 procs for 1 steps with 6771 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 150076 0 6771 0.00027257271 0 5979 792 3.7244887e-11 3.3015554e-11 4.229333e-12 - 150150 0.10988712 6771 0.00027387687 0 5979 792 3.7244887e-11 3.3015554e-11 4.229333e-12 - 151151 1.2427981 6771 0.00027468448 0 5979 792 3.7244887e-11 3.3015554e-11 4.229333e-12 - 152076 2.1800809 6771 0.0002751596 0 5979 792 3.7244887e-11 3.3015554e-11 4.229333e-12 -Loop time of 2.18011 on 4 procs for 2000 steps with 6771 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 152076 0 6771 0.0002751596 0 5979 792 3.7244887e-11 3.3015554e-11 4.229333e-12 -number of iterations: 5000 -maxz = 2.858524e-04 -S-sub-bulk = 4.978313e-03 -S-sub-base = 2.039375e-04 -S-nh4-bulk = 1.215054e-03 -S-nh4-base = 3.120945e-04 - - 152077 1.00243 6865 0.0002754386 0 6070 795 3.7680528e-11 3.3415579e-11 4.2649495e-12 -Loop time of 1.00244 on 4 procs for 1 steps with 6865 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 152077 0 6865 0.0002754386 0 6070 795 3.7680528e-11 3.3415579e-11 4.2649495e-12 - 152152 0.11171389 6865 0.0002768973 0 6070 795 3.7680528e-11 3.3415579e-11 4.2649495e-12 - 153153 1.1187918 6865 0.00027779353 0 6070 795 3.7680528e-11 3.3415579e-11 4.2649495e-12 - 154077 1.9956479 6865 0.00027826733 0 6070 795 3.7680528e-11 3.3415579e-11 4.2649495e-12 -Loop time of 1.99567 on 4 procs for 2000 steps with 6865 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 154077 0 6865 0.00027826733 0 6070 795 3.7680528e-11 3.3415579e-11 4.2649495e-12 -number of iterations: 5000 -maxz = 2.864722e-04 -S-sub-bulk = 4.998493e-03 -S-sub-base = 1.848155e-04 -S-nh4-bulk = 1.225620e-03 -S-nh4-base = 3.028607e-04 - - 154078 1.007864 6940 0.00027841233 0 6143 797 3.8126888e-11 3.3826475e-11 4.300413e-12 -Loop time of 1.00788 on 4 procs for 1 steps with 6940 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 154078 0 6940 0.00027841233 0 6143 797 3.8126888e-11 3.3826475e-11 4.300413e-12 - 154154 0.11490607 6940 0.00027950636 0 6143 797 3.8126888e-11 3.3826475e-11 4.300413e-12 - 155155 1.1787159 6940 0.0002805682 0 6143 797 3.8126888e-11 3.3826475e-11 4.300413e-12 - 156078 2.0776141 6940 0.00028109479 0 6143 797 3.8126888e-11 3.3826475e-11 4.300413e-12 -Loop time of 2.07764 on 4 procs for 2000 steps with 6940 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 156078 0 6940 0.00028109479 0 6143 797 3.8126888e-11 3.3826475e-11 4.300413e-12 -number of iterations: 563 -maxz = 2.899134e-04 -S-sub-bulk = 4.805669e-03 -S-sub-base = 1.837416e-04 -S-nh4-bulk = 1.220603e-03 -S-nh4-base = 3.021287e-04 - - 156079 0.12421298 7011 0.00028129729 0 6212 799 3.8590569e-11 3.4254315e-11 4.336253e-12 -Loop time of 0.124226 on 4 procs for 1 steps with 7011 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 156079 0 7011 0.00028129729 0 6212 799 3.8590569e-11 3.4254315e-11 4.336253e-12 - 156156 0.11388302 7011 0.00028261529 0 6212 799 3.8590569e-11 3.4254315e-11 4.336253e-12 - 157157 1.170224 7011 0.00028373453 0 6212 799 3.8590569e-11 3.4254315e-11 4.336253e-12 - 158079 2.053175 7011 0.00028442717 0 6212 799 3.8590569e-11 3.4254315e-11 4.336253e-12 -Loop time of 2.0532 on 4 procs for 2000 steps with 7011 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 158079 0 7011 0.00028442717 0 6212 799 3.8590569e-11 3.4254315e-11 4.336253e-12 -number of iterations: 3397 -maxz = 2.920293e-04 -S-sub-bulk = 4.599712e-03 -S-sub-base = 1.798949e-04 -S-nh4-bulk = 1.209681e-03 -S-nh4-base = 2.982614e-04 - - 158080 0.77755594 7101 0.00028465215 0 6299 802 3.9057755e-11 3.4685482e-11 4.3722727e-12 -Loop time of 0.777568 on 4 procs for 1 steps with 7101 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 158080 0 7101 0.00028465215 0 6299 802 3.9057755e-11 3.4685482e-11 4.3722727e-12 - 158158 0.12022901 7101 0.00028617248 0 6299 802 3.9057755e-11 3.4685482e-11 4.3722727e-12 - 159159 1.2234552 7101 0.0002877072 0 6299 802 3.9057755e-11 3.4685482e-11 4.3722727e-12 - 160080 2.158402 7101 0.00028878606 0 6299 802 3.9057755e-11 3.4685482e-11 4.3722727e-12 -Loop time of 2.15843 on 4 procs for 2000 steps with 7101 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 160080 0 7101 0.00028878606 0 6299 802 3.9057755e-11 3.4685482e-11 4.3722727e-12 -number of iterations: 5000 -maxz = 2.996406e-04 -S-sub-bulk = 4.842590e-03 -S-sub-base = 1.699359e-04 -S-nh4-bulk = 1.217557e-03 -S-nh4-base = 2.915633e-04 - - 160081 1.0363982 7184 0.00028899826 0 6377 807 3.9484342e-11 3.5076697e-11 4.4076456e-12 -Loop time of 1.03641 on 4 procs for 1 steps with 7184 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 160081 0 7184 0.00028899826 0 6377 807 3.9484342e-11 3.5076697e-11 4.4076456e-12 - 160160 0.12072587 7184 0.0002904952 0 6377 807 3.9484342e-11 3.5076697e-11 4.4076456e-12 - 161161 1.185472 7184 0.00029170089 0 6377 807 3.9484342e-11 3.5076697e-11 4.4076456e-12 - 162081 2.1922429 7184 0.00029205078 0 6377 807 3.9484342e-11 3.5076697e-11 4.4076456e-12 -Loop time of 2.19227 on 4 procs for 2000 steps with 7184 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 162081 0 7184 0.00029205078 0 6377 807 3.9484342e-11 3.5076697e-11 4.4076456e-12 -number of iterations: 5000 -maxz = 3.019165e-04 -S-sub-bulk = 4.850413e-03 -S-sub-base = 1.524073e-04 -S-nh4-bulk = 1.227899e-03 -S-nh4-base = 2.818862e-04 - - 162082 1.1262691 7255 0.00029223907 0 6446 809 3.9924288e-11 3.5481511e-11 4.4427771e-12 -Loop time of 1.12628 on 4 procs for 1 steps with 7255 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 162082 0 7255 0.00029223907 0 6446 809 3.9924288e-11 3.5481511e-11 4.4427771e-12 - 162162 0.12081599 7255 0.00029345828 0 6446 809 3.9924288e-11 3.5481511e-11 4.4427771e-12 - 163163 1.4445281 7255 0.00029436882 0 6446 809 3.9924288e-11 3.5481511e-11 4.4427771e-12 - 164082 2.5701501 7255 0.00029510355 0 6446 809 3.9924288e-11 3.5481511e-11 4.4427771e-12 -Loop time of 2.57017 on 4 procs for 2000 steps with 7255 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 164082 0 7255 0.00029510355 0 6446 809 3.9924288e-11 3.5481511e-11 4.4427771e-12 -number of iterations: 5000 -maxz = 3.061238e-04 -S-sub-bulk = 5.033317e-03 -S-sub-base = 1.459108e-04 -S-nh4-bulk = 1.248761e-03 -S-nh4-base = 2.745964e-04 - - 164083 1.07987 7346 0.00029528016 0 6533 813 4.0344405e-11 3.5867046e-11 4.4773587e-12 -Loop time of 1.07988 on 4 procs for 1 steps with 7346 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 164083 0 7346 0.00029528016 0 6533 813 4.0344405e-11 3.5867046e-11 4.4773587e-12 - 164164 0.12779379 7346 0.00029660509 0 6533 813 4.0344405e-11 3.5867046e-11 4.4773587e-12 - 165165 1.368042 7346 0.00029834219 0 6533 813 4.0344405e-11 3.5867046e-11 4.4773587e-12 - 166083 2.4628608 7346 0.00029935129 0 6533 813 4.0344405e-11 3.5867046e-11 4.4773587e-12 -Loop time of 2.46289 on 4 procs for 2000 steps with 7346 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 166083 0 7346 0.00029935129 0 6533 813 4.0344405e-11 3.5867046e-11 4.4773587e-12 -number of iterations: 4354 -maxz = 3.084625e-04 -S-sub-bulk = 4.951253e-03 -S-sub-base = 1.378412e-04 -S-nh4-bulk = 1.262099e-03 -S-nh4-base = 2.679418e-04 - - 166084 1.0230031 7453 0.00029943942 0 6635 818 4.0782492e-11 3.6270555e-11 4.5119369e-12 -Loop time of 1.02302 on 4 procs for 1 steps with 7453 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 166084 0 7453 0.00029943942 0 6635 818 4.0782492e-11 3.6270555e-11 4.5119369e-12 - 166166 0.13403893 7453 0.00030062628 0 6635 818 4.0782492e-11 3.6270555e-11 4.5119369e-12 - 167167 1.4043159 7453 0.0003020724 0 6635 818 4.0782492e-11 3.6270555e-11 4.5119369e-12 - 168084 2.3730879 7453 0.00030289253 0 6635 818 4.0782492e-11 3.6270555e-11 4.5119369e-12 -Loop time of 2.37311 on 4 procs for 2000 steps with 7453 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 168084 0 7453 0.00030289253 0 6635 818 4.0782492e-11 3.6270555e-11 4.5119369e-12 -number of iterations: 930 -maxz = 3.131560e-04 -S-sub-bulk = 4.684729e-03 -S-sub-base = 1.368443e-04 -S-nh4-bulk = 1.260081e-03 -S-nh4-base = 2.669354e-04 - - 168085 0.2136898 7527 0.00030303719 0 6704 823 4.1237792e-11 3.6690933e-11 4.5468598e-12 -Loop time of 0.213703 on 4 procs for 1 steps with 7527 atoms - -99.3% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 168085 0 7527 0.00030303719 0 6704 823 4.1237792e-11 3.6690933e-11 4.5468598e-12 - 168168 0.13957 7527 0.00030407823 0 6704 823 4.1237792e-11 3.6690933e-11 4.5468598e-12 - 169169 1.475816 7527 0.00030545764 0 6704 823 4.1237792e-11 3.6690933e-11 4.5468598e-12 - 170085 2.5378401 7527 0.00030623781 0 6704 823 4.1237792e-11 3.6690933e-11 4.5468598e-12 -Loop time of 2.53786 on 4 procs for 2000 steps with 7527 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 170085 0 7527 0.00030623781 0 6704 823 4.1237792e-11 3.6690933e-11 4.5468598e-12 -number of iterations: 5000 -maxz = 3.160955e-04 -S-sub-bulk = 4.920412e-03 -S-sub-base = 1.321592e-04 -S-nh4-bulk = 1.267684e-03 -S-nh4-base = 2.620058e-04 - - 170086 1.1100769 7613 0.00030653185 0 6784 829 4.1649319e-11 3.7067933e-11 4.5813865e-12 -Loop time of 1.11009 on 4 procs for 1 steps with 7613 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 170086 0 7613 0.00030653185 0 6784 829 4.1649319e-11 3.7067933e-11 4.5813865e-12 - 170170 0.13552094 7613 0.00030772036 0 6784 829 4.1649319e-11 3.7067933e-11 4.5813865e-12 - 171171 1.2669649 7613 0.00030891677 0 6784 829 4.1649319e-11 3.7067933e-11 4.5813865e-12 - 172086 2.258601 7613 0.00030930821 0 6784 829 4.1649319e-11 3.7067933e-11 4.5813865e-12 -Loop time of 2.25863 on 4 procs for 2000 steps with 7613 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 172086 0 7613 0.00030930821 0 6784 829 4.1649319e-11 3.7067933e-11 4.5813865e-12 -number of iterations: 5000 -maxz = 3.190355e-04 -S-sub-bulk = 4.958340e-03 -S-sub-base = 1.189105e-04 -S-nh4-bulk = 1.275774e-03 -S-nh4-base = 2.555253e-04 - - 172087 1.1052859 7683 0.00030944639 0 6852 831 4.2071056e-11 3.7455305e-11 4.6157512e-12 -Loop time of 1.1053 on 4 procs for 1 steps with 7683 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 172087 0 7683 0.00030944639 0 6852 831 4.2071056e-11 3.7455305e-11 4.6157512e-12 - 172172 0.13677788 7683 0.00031064574 0 6852 831 4.2071056e-11 3.7455305e-11 4.6157512e-12 - 173173 1.270658 7683 0.00031156076 0 6852 831 4.2071056e-11 3.7455305e-11 4.6157512e-12 - 174087 2.248894 7683 0.00031239344 0 6852 831 4.2071056e-11 3.7455305e-11 4.6157512e-12 -Loop time of 2.24892 on 4 procs for 2000 steps with 7683 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 174087 0 7683 0.00031239344 0 6852 831 4.2071056e-11 3.7455305e-11 4.6157512e-12 -number of iterations: 1743 -maxz = 3.204953e-04 -S-sub-bulk = 4.783109e-03 -S-sub-base = 1.163470e-04 -S-nh4-bulk = 1.272966e-03 -S-nh4-base = 2.537904e-04 - - 174088 0.39126611 7768 0.00031250399 0 6929 839 4.250971e-11 3.7859357e-11 4.6503528e-12 -Loop time of 0.39128 on 4 procs for 1 steps with 7768 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 174088 0 7768 0.00031250399 0 6929 839 4.250971e-11 3.7859357e-11 4.6503528e-12 - 174174 0.14255285 7768 0.00031358048 0 6929 839 4.250971e-11 3.7859357e-11 4.6503528e-12 - 175175 1.3156168 7768 0.00031491687 0 6929 839 4.250971e-11 3.7859357e-11 4.6503528e-12 - 176088 2.3018548 7768 0.0003157718 0 6929 839 4.250971e-11 3.7859357e-11 4.6503528e-12 -Loop time of 2.30188 on 4 procs for 2000 steps with 7768 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 176088 0 7768 0.0003157718 0 6929 839 4.250971e-11 3.7859357e-11 4.6503528e-12 -number of iterations: 5000 -maxz = 3.238711e-04 -S-sub-bulk = 4.956336e-03 -S-sub-base = 1.123204e-04 -S-nh4-bulk = 1.282704e-03 -S-nh4-base = 2.487623e-04 - - 176089 1.133456 7862 0.00031603004 0 7016 846 4.2916834e-11 3.8232373e-11 4.6844613e-12 -Loop time of 1.13347 on 4 procs for 1 steps with 7862 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 176089 0 7862 0.00031603004 0 7016 846 4.2916834e-11 3.8232373e-11 4.6844613e-12 - 176176 0.14823294 7862 0.00031741101 0 7016 846 4.2916834e-11 3.8232373e-11 4.6844613e-12 - 177177 1.472353 7862 0.00031851997 0 7016 846 4.2916834e-11 3.8232373e-11 4.6844613e-12 - 178089 2.489466 7862 0.0003188861 0 7016 846 4.2916834e-11 3.8232373e-11 4.6844613e-12 -Loop time of 2.4895 on 4 procs for 2000 steps with 7862 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 178089 0 7862 0.0003188861 0 7016 846 4.2916834e-11 3.8232373e-11 4.6844613e-12 -number of iterations: 5000 -maxz = 3.276085e-04 -S-sub-bulk = 4.948927e-03 -S-sub-base = 1.034206e-04 -S-nh4-bulk = 1.294725e-03 -S-nh4-base = 2.419057e-04 - - 178090 1.195745 7935 0.00031897463 0 7084 851 4.3334068e-11 3.8615743e-11 4.7183247e-12 -Loop time of 1.19576 on 4 procs for 1 steps with 7935 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 178090 0 7935 0.00031897463 0 7084 851 4.3334068e-11 3.8615743e-11 4.7183247e-12 - 178178 0.16094995 7935 0.00032032593 0 7084 851 4.3334068e-11 3.8615743e-11 4.7183247e-12 - 179179 1.4451261 7935 0.00032126158 0 7084 851 4.3334068e-11 3.8615743e-11 4.7183247e-12 - 180090 2.442426 7935 0.0003218493 0 7084 851 4.3334068e-11 3.8615743e-11 4.7183247e-12 -Loop time of 2.44245 on 4 procs for 2000 steps with 7935 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 180090 0 7935 0.0003218493 0 7084 851 4.3334068e-11 3.8615743e-11 4.7183247e-12 -number of iterations: 1297 -maxz = 3.296142e-04 -S-sub-bulk = 4.761815e-03 -S-sub-base = 1.018844e-04 -S-nh4-bulk = 1.294483e-03 -S-nh4-base = 2.404510e-04 - - 180091 0.31055713 8020 0.0003218915 0 7162 858 4.3766231e-11 3.9013794e-11 4.752437e-12 -Loop time of 0.310572 on 4 procs for 1 steps with 8020 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 180091 0 8020 0.0003218915 0 7162 858 4.3766231e-11 3.9013794e-11 4.752437e-12 - 180180 0.15156794 8020 0.00032310929 0 7162 858 4.3766231e-11 3.9013794e-11 4.752437e-12 - 181181 1.352535 8020 0.00032411501 0 7162 858 4.3766231e-11 3.9013794e-11 4.752437e-12 - 182091 2.469311 8020 0.00032480375 0 7162 858 4.3766231e-11 3.9013794e-11 4.752437e-12 -Loop time of 2.46934 on 4 procs for 2000 steps with 8020 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 182091 0 8020 0.00032480375 0 7162 858 4.3766231e-11 3.9013794e-11 4.752437e-12 -number of iterations: 3908 -maxz = 3.336211e-04 -S-sub-bulk = 4.582028e-03 -S-sub-base = 9.943029e-05 -S-nh4-bulk = 1.288583e-03 -S-nh4-base = 2.372772e-04 - - 182092 0.98011398 8108 0.00032513277 0 7246 862 4.4199981e-11 3.94133e-11 4.7866812e-12 -Loop time of 0.980129 on 4 procs for 1 steps with 8108 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 182092 0 8108 0.00032513277 0 7246 862 4.4199981e-11 3.94133e-11 4.7866812e-12 - 182182 0.16596913 8108 0.00032613256 0 7246 862 4.4199981e-11 3.94133e-11 4.7866812e-12 - 183183 1.362045 8108 0.00032730503 0 7246 862 4.4199981e-11 3.94133e-11 4.7866812e-12 - 184092 2.468539 8108 0.0003278485 0 7246 862 4.4199981e-11 3.94133e-11 4.7866812e-12 -Loop time of 2.46856 on 4 procs for 2000 steps with 8108 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 184092 0 8108 0.0003278485 0 7246 862 4.4199981e-11 3.94133e-11 4.7866812e-12 -number of iterations: 5000 -maxz = 3.370013e-04 -S-sub-bulk = 4.870624e-03 -S-sub-base = 9.493005e-05 -S-nh4-bulk = 1.294885e-03 -S-nh4-base = 2.337646e-04 - - 184093 1.175415 8207 0.00032814152 0 7335 872 4.459105e-11 3.9770576e-11 4.8204742e-12 -Loop time of 1.17543 on 4 procs for 1 steps with 8207 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 184093 0 8207 0.00032814152 0 7335 872 4.459105e-11 3.9770576e-11 4.8204742e-12 - 184184 0.16291881 8207 0.00032935475 0 7335 872 4.459105e-11 3.9770576e-11 4.8204742e-12 - 185185 1.3898368 8207 0.00033039884 0 7335 872 4.459105e-11 3.9770576e-11 4.8204742e-12 - 186093 2.5157108 8207 0.00033128063 0 7335 872 4.459105e-11 3.9770576e-11 4.8204742e-12 -Loop time of 2.51574 on 4 procs for 2000 steps with 8207 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 186093 0 8207 0.00033128063 0 7335 872 4.459105e-11 3.9770576e-11 4.8204742e-12 -number of iterations: 5000 -maxz = 3.408586e-04 -S-sub-bulk = 4.857402e-03 -S-sub-base = 8.569568e-05 -S-nh4-bulk = 1.306453e-03 -S-nh4-base = 2.272785e-04 - - 186094 1.1882679 8281 0.0003314488 0 7404 877 4.5000797e-11 4.0146849e-11 4.8539477e-12 -Loop time of 1.18828 on 4 procs for 1 steps with 8281 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 186094 0 8281 0.0003314488 0 7404 877 4.5000797e-11 4.0146849e-11 4.8539477e-12 - 186186 0.1600461 8281 0.00033282062 0 7404 877 4.5000797e-11 4.0146849e-11 4.8539477e-12 - 187187 1.3667202 8281 0.00033388569 0 7404 877 4.5000797e-11 4.0146849e-11 4.8539477e-12 - 188094 2.424772 8281 0.00033450044 0 7404 877 4.5000797e-11 4.0146849e-11 4.8539477e-12 -Loop time of 2.4248 on 4 procs for 2000 steps with 8281 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 188094 0 8281 0.00033450044 0 7404 877 4.5000797e-11 4.0146849e-11 4.8539477e-12 -number of iterations: 5000 -maxz = 3.460729e-04 -S-sub-bulk = 5.038651e-03 -S-sub-base = 8.209955e-05 -S-nh4-bulk = 1.326211e-03 -S-nh4-base = 2.221029e-04 - - 188095 1.217803 8356 0.00033458242 0 7474 882 4.53897e-11 4.050275e-11 4.8869501e-12 -Loop time of 1.21782 on 4 procs for 1 steps with 8356 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 188095 0 8356 0.00033458242 0 7474 882 4.53897e-11 4.050275e-11 4.8869501e-12 - 188188 0.16293502 8356 0.00033596979 0 7474 882 4.53897e-11 4.050275e-11 4.8869501e-12 - 189189 1.404938 8356 0.00033711543 0 7474 882 4.53897e-11 4.050275e-11 4.8869501e-12 - 190095 2.45487 8356 0.00033776579 0 7474 882 4.53897e-11 4.050275e-11 4.8869501e-12 -Loop time of 2.4549 on 4 procs for 2000 steps with 8356 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 190095 0 8356 0.00033776579 0 7474 882 4.53897e-11 4.050275e-11 4.8869501e-12 -number of iterations: 5000 -maxz = 3.494752e-04 -S-sub-bulk = 4.983503e-03 -S-sub-base = 7.742695e-05 -S-nh4-bulk = 1.343396e-03 -S-nh4-base = 2.164983e-04 - - 190096 1.297889 8437 0.00033806201 0 7552 885 4.5793983e-11 4.0874193e-11 4.9197902e-12 -Loop time of 1.2979 on 4 procs for 1 steps with 8437 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 190096 0 8437 0.00033806201 0 7552 885 4.5793983e-11 4.0874193e-11 4.9197902e-12 - 190190 0.16954589 8437 0.00033926772 0 7552 885 4.5793983e-11 4.0874193e-11 4.9197902e-12 - 191191 1.3974469 8437 0.00034006976 0 7552 885 4.5793983e-11 4.0874193e-11 4.9197902e-12 - 192096 2.6854811 8437 0.00034076913 0 7552 885 4.5793983e-11 4.0874193e-11 4.9197902e-12 -Loop time of 2.6855 on 4 procs for 2000 steps with 8437 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 192096 0 8437 0.00034076913 0 7552 885 4.5793983e-11 4.0874193e-11 4.9197902e-12 -number of iterations: 568 -maxz = 3.531914e-04 -S-sub-bulk = 4.751017e-03 -S-sub-base = 7.702901e-05 -S-nh4-bulk = 1.345943e-03 -S-nh4-base = 2.160333e-04 - - 192097 0.14647388 8512 0.00034090227 0 7623 889 4.6214278e-11 4.1261361e-11 4.9529171e-12 -Loop time of 0.146488 on 4 procs for 1 steps with 8512 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 192097 0 8512 0.00034090227 0 7623 889 4.6214278e-11 4.1261361e-11 4.9529171e-12 - 192192 0.16593313 8512 0.00034229784 0 7623 889 4.6214278e-11 4.1261361e-11 4.9529171e-12 - 193193 1.565778 8512 0.00034329688 0 7623 889 4.6214278e-11 4.1261361e-11 4.9529171e-12 - 194097 2.9036081 8512 0.00034363639 0 7623 889 4.6214278e-11 4.1261361e-11 4.9529171e-12 -Loop time of 2.90365 on 4 procs for 2000 steps with 8512 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 194097 0 8512 0.00034363639 0 7623 889 4.6214278e-11 4.1261361e-11 4.9529171e-12 -number of iterations: 5000 -maxz = 3.550807e-04 -S-sub-bulk = 5.004673e-03 -S-sub-base = 7.485013e-05 -S-nh4-bulk = 1.354256e-03 -S-nh4-base = 2.123649e-04 - - 194098 1.261518 8614 0.00034381061 0 7721 893 4.6591807e-11 4.1606057e-11 4.9857501e-12 -Loop time of 1.26153 on 4 procs for 1 steps with 8614 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 194098 0 8614 0.00034381061 0 7721 893 4.6591807e-11 4.1606057e-11 4.9857501e-12 - 194194 0.17504001 8614 0.00034512235 0 7721 893 4.6591807e-11 4.1606057e-11 4.9857501e-12 - 195195 1.6630001 8614 0.00034604193 0 7721 893 4.6591807e-11 4.1606057e-11 4.9857501e-12 - 196098 2.8772759 8614 0.00034687672 0 7721 893 4.6591807e-11 4.1606057e-11 4.9857501e-12 -Loop time of 2.8773 on 4 procs for 2000 steps with 8614 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 196098 0 8614 0.00034687672 0 7721 893 4.6591807e-11 4.1606057e-11 4.9857501e-12 -number of iterations: 5000 -maxz = 3.604313e-04 -S-sub-bulk = 5.030590e-03 -S-sub-base = 6.850266e-05 -S-nh4-bulk = 1.362747e-03 -S-nh4-base = 2.082352e-04 - - 196099 1.332473 8682 0.00034702037 0 7784 898 4.6982177e-11 4.1963743e-11 5.0184343e-12 -Loop time of 1.33249 on 4 procs for 1 steps with 8682 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 196099 0 8682 0.00034702037 0 7784 898 4.6982177e-11 4.1963743e-11 5.0184343e-12 - 196196 0.19745302 8682 0.0003481613 0 7784 898 4.6982177e-11 4.1963743e-11 5.0184343e-12 - 197197 1.6342371 8682 0.00034922662 0 7784 898 4.6982177e-11 4.1963743e-11 5.0184343e-12 - 198099 2.8379791 8682 0.00034992277 0 7784 898 4.6982177e-11 4.1963743e-11 5.0184343e-12 -Loop time of 2.83801 on 4 procs for 2000 steps with 8682 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 198099 0 8682 0.00034992277 0 7784 898 4.6982177e-11 4.1963743e-11 5.0184343e-12 -number of iterations: 5000 -maxz = 3.623044e-04 -S-sub-bulk = 5.203734e-03 -S-sub-base = 6.499076e-05 -S-nh4-bulk = 1.377491e-03 -S-nh4-base = 2.047357e-04 - - 198100 1.334657 8753 0.00035002178 0 7849 904 4.7355437e-11 4.2304685e-11 5.0507526e-12 -Loop time of 1.33467 on 4 procs for 1 steps with 8753 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 198100 0 8753 0.00035002178 0 7849 904 4.7355437e-11 4.2304685e-11 5.0507526e-12 - 198198 0.18290901 8753 0.00035101995 0 7849 904 4.7355437e-11 4.2304685e-11 5.0507526e-12 - 199199 1.462326 8753 0.000352427 0 7849 904 4.7355437e-11 4.2304685e-11 5.0507526e-12 - 200100 2.5953522 8753 0.00035321428 0 7849 904 4.7355437e-11 4.2304685e-11 5.0507526e-12 -Loop time of 2.59538 on 4 procs for 2000 steps with 8753 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 200100 0 8753 0.00035321428 0 7849 904 4.7355437e-11 4.2304685e-11 5.0507526e-12 -number of iterations: 5000 -maxz = 3.650144e-04 -S-sub-bulk = 5.157542e-03 -S-sub-base = 6.154036e-05 -S-nh4-bulk = 1.391945e-03 -S-nh4-base = 2.003484e-04 - - 200101 1.267267 8814 0.0003532295 0 7908 906 4.7742769e-11 4.2659888e-11 5.0828806e-12 -Loop time of 1.26728 on 4 procs for 1 steps with 8814 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 200101 0 8814 0.0003532295 0 7908 906 4.7742769e-11 4.2659888e-11 5.0828806e-12 - 200200 0.17725801 8814 0.00035424674 0 7908 906 4.7742769e-11 4.2659888e-11 5.0828806e-12 - 201201 1.488343 8814 0.00035540304 0 7908 906 4.7742769e-11 4.2659888e-11 5.0828806e-12 - 202101 2.6257892 8814 0.00035628575 0 7908 906 4.7742769e-11 4.2659888e-11 5.0828806e-12 -Loop time of 2.62582 on 4 procs for 2000 steps with 8814 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 202101 0 8814 0.00035628575 0 7908 906 4.7742769e-11 4.2659888e-11 5.0828806e-12 -number of iterations: 531 -maxz = 3.663489e-04 -S-sub-bulk = 4.923304e-03 -S-sub-base = 6.123484e-05 -S-nh4-bulk = 1.393266e-03 -S-nh4-base = 1.998854e-04 - - 202102 0.14532423 8898 0.00035641523 0 7985 913 4.8146979e-11 4.3031709e-11 5.1152696e-12 -Loop time of 0.145338 on 4 procs for 1 steps with 8898 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 202102 0 8898 0.00035641523 0 7985 913 4.8146979e-11 4.3031709e-11 5.1152696e-12 - 202202 0.19162011 8898 0.00035751926 0 7985 913 4.8146979e-11 4.3031709e-11 5.1152696e-12 - 203203 1.4983311 8898 0.00035848529 0 7985 913 4.8146979e-11 4.3031709e-11 5.1152696e-12 - 204102 2.6476252 8898 0.00035942378 0 7985 913 4.8146979e-11 4.3031709e-11 5.1152696e-12 -Loop time of 2.64765 on 4 procs for 2000 steps with 8898 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 204102 0 8898 0.00035942378 0 7985 913 4.8146979e-11 4.3031709e-11 5.1152696e-12 -number of iterations: 5000 -maxz = 3.707225e-04 -S-sub-bulk = 4.783977e-03 -S-sub-base = 5.974436e-05 -S-nh4-bulk = 1.389521e-03 -S-nh4-base = 1.970999e-04 - - 204103 1.2827189 8992 0.00035958267 0 8075 917 4.8545878e-11 4.3398112e-11 5.1477659e-12 -Loop time of 1.28273 on 4 procs for 1 steps with 8992 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 204103 0 8992 0.00035958267 0 8075 917 4.8545878e-11 4.3398112e-11 5.1477659e-12 - 204204 0.188411 8992 0.00036135628 0 8075 917 4.8545878e-11 4.3398112e-11 5.1477659e-12 - 205205 1.566262 8992 0.00036240674 0 8075 917 4.8545878e-11 4.3398112e-11 5.1477659e-12 - 206103 2.816735 8992 0.00036342595 0 8075 917 4.8545878e-11 4.3398112e-11 5.1477659e-12 -Loop time of 2.81676 on 4 procs for 2000 steps with 8992 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 206103 0 8992 0.00036342595 0 8075 917 4.8545878e-11 4.3398112e-11 5.1477659e-12 -number of iterations: 5000 -maxz = 3.744670e-04 -S-sub-bulk = 5.031723e-03 -S-sub-base = 5.739712e-05 -S-nh4-bulk = 1.391221e-03 -S-nh4-base = 1.953860e-04 - - 206104 1.4038959 9079 0.00036381056 0 8159 920 4.8909237e-11 4.3729195e-11 5.1800423e-12 -Loop time of 1.40391 on 4 procs for 1 steps with 9079 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 206104 0 9079 0.00036381056 0 8159 920 4.8909237e-11 4.3729195e-11 5.1800423e-12 - 206206 0.19086504 9079 0.00036509699 0 8159 920 4.8909237e-11 4.3729195e-11 5.1800423e-12 - 207207 1.522553 9079 0.00036625576 0 8159 920 4.8909237e-11 4.3729195e-11 5.1800423e-12 - 208104 2.7061532 9079 0.0003668838 0 8159 920 4.8909237e-11 4.3729195e-11 5.1800423e-12 -Loop time of 2.70618 on 4 procs for 2000 steps with 9079 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 208104 0 9079 0.0003668838 0 8159 920 4.8909237e-11 4.3729195e-11 5.1800423e-12 -number of iterations: 5000 -maxz = 3.770016e-04 -S-sub-bulk = 5.030740e-03 -S-sub-base = 5.263616e-05 -S-nh4-bulk = 1.398540e-03 -S-nh4-base = 1.915104e-04 - - 208105 1.3253672 9154 0.00036697286 0 8228 926 4.9287532e-11 4.4075492e-11 5.2120401e-12 -Loop time of 1.32538 on 4 procs for 1 steps with 9154 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 208105 0 9154 0.00036697286 0 8228 926 4.9287532e-11 4.4075492e-11 5.2120401e-12 - 208208 0.19721007 9154 0.00036801158 0 8228 926 4.9287532e-11 4.4075492e-11 5.2120401e-12 - 209209 1.545527 9154 0.00036892889 0 8228 926 4.9287532e-11 4.4075492e-11 5.2120401e-12 - 210105 2.8147771 9154 0.00036988479 0 8228 926 4.9287532e-11 4.4075492e-11 5.2120401e-12 -Loop time of 2.8148 on 4 procs for 2000 steps with 9154 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 210105 0 9154 0.00036988479 0 8228 926 4.9287532e-11 4.4075492e-11 5.2120401e-12 -number of iterations: 2392 -maxz = 3.788131e-04 -S-sub-bulk = 4.836508e-03 -S-sub-base = 5.099815e-05 -S-nh4-bulk = 1.400312e-03 -S-nh4-base = 1.896349e-04 - - 210106 0.67548108 9258 0.0003702627 0 8326 932 4.968195e-11 4.443785e-11 5.2440992e-12 -Loop time of 0.675495 on 4 procs for 1 steps with 9258 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 210106 0 9258 0.0003702627 0 8326 932 4.968195e-11 4.443785e-11 5.2440992e-12 - 210210 0.20477295 9258 0.00037144331 0 8326 932 4.968195e-11 4.443785e-11 5.2440992e-12 - 211211 1.5323648 9258 0.00037247721 0 8326 932 4.968195e-11 4.443785e-11 5.2440992e-12 - 212106 2.6637549 9258 0.00037321883 0 8326 932 4.968195e-11 4.443785e-11 5.2440992e-12 -Loop time of 2.66378 on 4 procs for 2000 steps with 9258 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 212106 0 9258 0.00037321883 0 8326 932 4.968195e-11 4.443785e-11 5.2440992e-12 -number of iterations: 3422 -maxz = 3.819603e-04 -S-sub-bulk = 4.631869e-03 -S-sub-base = 5.004343e-05 -S-nh4-bulk = 1.397613e-03 -S-nh4-base = 1.873245e-04 - - 212107 0.90439796 9348 0.00037336727 0 8411 937 5.0079992e-11 4.4803756e-11 5.2762355e-12 -Loop time of 0.904413 on 4 procs for 1 steps with 9348 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 212107 0 9348 0.00037336727 0 8411 937 5.0079992e-11 4.4803756e-11 5.2762355e-12 - 212212 0.20314312 9348 0.0003744331 0 8411 937 5.0079992e-11 4.4803756e-11 5.2762355e-12 - 213213 1.6094351 9348 0.00037533243 0 8411 937 5.0079992e-11 4.4803756e-11 5.2762355e-12 - 214107 2.720433 9348 0.00037584788 0 8411 937 5.0079992e-11 4.4803756e-11 5.2762355e-12 -Loop time of 2.72046 on 4 procs for 2000 steps with 9348 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 214107 0 9348 0.00037584788 0 8411 937 5.0079992e-11 4.4803756e-11 5.2762355e-12 -number of iterations: 5000 -maxz = 3.833900e-04 -S-sub-bulk = 4.927526e-03 -S-sub-base = 4.879114e-05 -S-nh4-bulk = 1.403481e-03 -S-nh4-base = 1.847289e-04 - - 214108 1.3366671 9433 0.00037607728 0 8488 945 5.0433313e-11 4.5125284e-11 5.3080292e-12 -Loop time of 1.33668 on 4 procs for 1 steps with 9433 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 214108 0 9433 0.00037607728 0 8488 945 5.0433313e-11 4.5125284e-11 5.3080292e-12 - 214214 0.21005106 9433 0.00037721217 0 8488 945 5.0433313e-11 4.5125284e-11 5.3080292e-12 - 215215 1.608207 9433 0.00037810523 0 8488 945 5.0433313e-11 4.5125284e-11 5.3080292e-12 - 216108 2.745187 9433 0.0003785893 0 8488 945 5.0433313e-11 4.5125284e-11 5.3080292e-12 -Loop time of 2.74521 on 4 procs for 2000 steps with 9433 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 216108 0 9433 0.0003785893 0 8488 945 5.0433313e-11 4.5125284e-11 5.3080292e-12 -number of iterations: 5000 -maxz = 3.889119e-04 -S-sub-bulk = 4.965368e-03 -S-sub-base = 4.466218e-05 -S-nh4-bulk = 1.414604e-03 -S-nh4-base = 1.805979e-04 - - 216109 1.392422 9500 0.00037880659 0 8546 954 5.0801253e-11 4.5461735e-11 5.3395174e-12 -Loop time of 1.39244 on 4 procs for 1 steps with 9500 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 216109 0 9500 0.00037880659 0 8546 954 5.0801253e-11 4.5461735e-11 5.3395174e-12 - 216216 0.22003293 9500 0.00037970554 0 8546 954 5.0801253e-11 4.5461735e-11 5.3395174e-12 - 217217 1.65802 9500 0.0003803664 0 8546 954 5.0801253e-11 4.5461735e-11 5.3395174e-12 - 218109 3.024507 9500 0.00038088077 0 8546 954 5.0801253e-11 4.5461735e-11 5.3395174e-12 -Loop time of 3.02453 on 4 procs for 2000 steps with 9500 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 218109 0 9500 0.00038088077 0 8546 954 5.0801253e-11 4.5461735e-11 5.3395174e-12 -number of iterations: 3074 -maxz = 3.897780e-04 -S-sub-bulk = 4.801384e-03 -S-sub-base = 4.275439e-05 -S-nh4-bulk = 1.420558e-03 -S-nh4-base = 1.782674e-04 - - 218110 0.92233801 9582 0.00038105581 0 8623 959 5.1185173e-11 4.5814154e-11 5.3710192e-12 -Loop time of 0.922352 on 4 procs for 1 steps with 9582 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 218110 0 9582 0.00038105581 0 8623 959 5.1185173e-11 4.5814154e-11 5.3710192e-12 - 218218 0.28921008 9582 0.00038222488 0 8623 959 5.1185173e-11 4.5814154e-11 5.3710192e-12 - 219219 1.7926412 9582 0.00038306763 0 8623 959 5.1185173e-11 4.5814154e-11 5.3710192e-12 - 220110 3.3905401 9582 0.00038345554 0 8623 959 5.1185173e-11 4.5814154e-11 5.3710192e-12 -Loop time of 3.39057 on 4 procs for 2000 steps with 9582 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 220110 0 9582 0.00038345554 0 8623 959 5.1185173e-11 4.5814154e-11 5.3710192e-12 -number of iterations: 2212 -maxz = 3.910225e-04 -S-sub-bulk = 4.565546e-03 -S-sub-base = 4.217447e-05 -S-nh4-bulk = 1.419236e-03 -S-nh4-base = 1.768700e-04 - - 220111 0.66710806 9669 0.00038364989 0 8707 962 5.1577868e-11 4.617521e-11 5.4026578e-12 -Loop time of 0.667128 on 4 procs for 1 steps with 9669 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 220111 0 9669 0.00038364989 0 8707 962 5.1577868e-11 4.617521e-11 5.4026578e-12 - 220220 0.24629188 9669 0.00038523886 0 8707 962 5.1577868e-11 4.617521e-11 5.4026578e-12 - 221221 1.8976791 9669 0.00038633298 0 8707 962 5.1577868e-11 4.617521e-11 5.4026578e-12 - 222111 3.1045229 9669 0.00038680843 0 8707 962 5.1577868e-11 4.617521e-11 5.4026578e-12 -Loop time of 3.10455 on 4 procs for 2000 steps with 9669 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 222111 0 9669 0.00038680843 0 8707 962 5.1577868e-11 4.617521e-11 5.4026578e-12 -number of iterations: 5000 -maxz = 3.938055e-04 -S-sub-bulk = 4.869580e-03 -S-sub-base = 4.151413e-05 -S-nh4-bulk = 1.424504e-03 -S-nh4-base = 1.745208e-04 - - 222112 1.3845339 9751 0.00038703649 0 8782 969 5.1922979e-11 4.6488966e-11 5.4340133e-12 -Loop time of 1.38455 on 4 procs for 1 steps with 9751 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 222112 0 9751 0.00038703649 0 8782 969 5.1922979e-11 4.6488966e-11 5.4340133e-12 - 222222 0.219661 9751 0.00038856171 0 8782 969 5.1922979e-11 4.6488966e-11 5.4340133e-12 - 223223 1.665184 9751 0.00038932809 0 8782 969 5.1922979e-11 4.6488966e-11 5.4340133e-12 - 224112 2.9410319 9751 0.00038993146 0 8782 969 5.1922979e-11 4.6488966e-11 5.4340133e-12 -Loop time of 2.94106 on 4 procs for 2000 steps with 9751 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 224112 0 9751 0.00038993146 0 8782 969 5.1922979e-11 4.6488966e-11 5.4340133e-12 -number of iterations: 5000 -maxz = 3.970760e-04 -S-sub-bulk = 4.891840e-03 -S-sub-base = 3.826231e-05 -S-nh4-bulk = 1.435219e-03 -S-nh4-base = 1.709937e-04 - - 224113 1.559051 9831 0.00039010134 0 8855 976 5.2284816e-11 4.6819751e-11 5.4650643e-12 -Loop time of 1.55907 on 4 procs for 1 steps with 9831 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 224113 0 9831 0.00039010134 0 8855 976 5.2284816e-11 4.6819751e-11 5.4650643e-12 - 224224 0.26547813 9831 0.00039132554 0 8855 976 5.2284816e-11 4.6819751e-11 5.4650643e-12 - 225225 1.7731161 9831 0.00039187396 0 8855 976 5.2284816e-11 4.6819751e-11 5.4650643e-12 - 226113 3.059262 9831 0.00039241146 0 8855 976 5.2284816e-11 4.6819751e-11 5.4650643e-12 -Loop time of 3.05929 on 4 procs for 2000 steps with 9831 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 226113 0 9831 0.00039241146 0 8855 976 5.2284816e-11 4.6819751e-11 5.4650643e-12 -number of iterations: 3283 -maxz = 3.995662e-04 -S-sub-bulk = 4.708566e-03 -S-sub-base = 3.647071e-05 -S-nh4-bulk = 1.440587e-03 -S-nh4-base = 1.688797e-04 - - 226114 0.93815994 9914 0.00039245934 0 8932 982 5.2663427e-11 4.7167286e-11 5.4961413e-12 -Loop time of 0.938178 on 4 procs for 1 steps with 9914 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 226114 0 9914 0.00039245934 0 8932 982 5.2663427e-11 4.7167286e-11 5.4961413e-12 - 226226 0.2318089 9914 0.00039412072 0 8932 982 5.2663427e-11 4.7167286e-11 5.4961413e-12 - 227227 1.7465179 9914 0.00039478782 0 8932 982 5.2663427e-11 4.7167286e-11 5.4961413e-12 - 228114 2.9790289 9914 0.00039512174 0 8932 982 5.2663427e-11 4.7167286e-11 5.4961413e-12 -Loop time of 2.97906 on 4 procs for 2000 steps with 9914 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 228114 0 9914 0.00039512174 0 8932 982 5.2663427e-11 4.7167286e-11 5.4961413e-12 -number of iterations: 2778 -maxz = 4.037421e-04 -S-sub-bulk = 4.486261e-03 -S-sub-base = 3.589016e-05 -S-nh4-bulk = 1.439790e-03 -S-nh4-base = 1.674094e-04 - - 228115 0.77959204 9996 0.00039536441 0 9010 986 5.3048204e-11 4.752088e-11 5.5273233e-12 -Loop time of 0.779605 on 4 procs for 1 steps with 9996 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 228115 0 9996 0.00039536441 0 9010 986 5.3048204e-11 4.752088e-11 5.5273233e-12 - 228228 0.24011302 9996 0.00039693867 0 9010 986 5.3048204e-11 4.752088e-11 5.5273233e-12 - 229229 1.75613 9996 0.00039820059 0 9010 986 5.3048204e-11 4.752088e-11 5.5273233e-12 - 230115 3.0069699 9996 0.00039885672 0 9010 986 5.3048204e-11 4.752088e-11 5.5273233e-12 -Loop time of 3.007 on 4 procs for 2000 steps with 9996 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 230115 0 9996 0.00039885672 0 9010 986 5.3048204e-11 4.752088e-11 5.5273233e-12 -number of iterations: 5000 -maxz = 4.089277e-04 -S-sub-bulk = 4.789774e-03 -S-sub-base = 3.533948e-05 -S-nh4-bulk = 1.444163e-03 -S-nh4-base = 1.654839e-04 - - 230116 1.4505711 10089 0.00039901609 0 9096 993 5.338648e-11 4.782821e-11 5.5582696e-12 -Loop time of 1.45059 on 4 procs for 1 steps with 10089 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 230116 0 10089 0.00039901609 0 9096 993 5.338648e-11 4.782821e-11 5.5582696e-12 - 230230 0.2486999 10089 0.00040036198 0 9096 993 5.338648e-11 4.782821e-11 5.5582696e-12 - 231231 1.7356288 10089 0.0004015654 0 9096 993 5.338648e-11 4.782821e-11 5.5582696e-12 - 232116 2.991534 10089 0.00040230539 0 9096 993 5.338648e-11 4.782821e-11 5.5582696e-12 -Loop time of 2.99156 on 4 procs for 2000 steps with 10089 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 232116 0 10089 0.00040230539 0 9096 993 5.338648e-11 4.782821e-11 5.5582696e-12 -number of iterations: 5000 -maxz = 4.127983e-04 -S-sub-bulk = 4.774706e-03 -S-sub-base = 3.269489e-05 -S-nh4-bulk = 1.453455e-03 -S-nh4-base = 1.624111e-04 - - 232117 1.4227669 10166 0.00040248805 0 9170 996 5.3745042e-11 4.8156102e-11 5.5889405e-12 -Loop time of 1.42278 on 4 procs for 1 steps with 10166 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 232117 0 10166 0.00040248805 0 9170 996 5.3745042e-11 4.8156102e-11 5.5889405e-12 - 232232 0.24079704 10166 0.000404105 0 9170 996 5.3745042e-11 4.8156102e-11 5.5889405e-12 - 233233 1.7481461 10166 0.00040506842 0 9170 996 5.3745042e-11 4.8156102e-11 5.5889405e-12 - 234117 2.9969001 10166 0.00040539578 0 9170 996 5.3745042e-11 4.8156102e-11 5.5889405e-12 -Loop time of 2.99693 on 4 procs for 2000 steps with 10166 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 234117 0 10166 0.00040539578 0 9170 996 5.3745042e-11 4.8156102e-11 5.5889405e-12 -number of iterations: 5000 -maxz = 4.151564e-04 -S-sub-bulk = 4.975660e-03 -S-sub-base = 3.070374e-05 -S-nh4-bulk = 1.468383e-03 -S-nh4-base = 1.595022e-04 - - 234118 1.4482369 10251 0.00040552797 0 9248 1003 5.4081246e-11 4.8461981e-11 5.6192658e-12 -Loop time of 1.44825 on 4 procs for 1 steps with 10251 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 234118 0 10251 0.00040552797 0 9248 1003 5.4081246e-11 4.8461981e-11 5.6192658e-12 - 234234 0.24022388 10251 0.00040693129 0 9248 1003 5.4081246e-11 4.8461981e-11 5.6192658e-12 - 235235 1.7189119 10251 0.00040768712 0 9248 1003 5.4081246e-11 4.8461981e-11 5.6192658e-12 - 236118 2.9818561 10251 0.00040839881 0 9248 1003 5.4081246e-11 4.8461981e-11 5.6192658e-12 -Loop time of 2.98188 on 4 procs for 2000 steps with 10251 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 236118 0 10251 0.00040839881 0 9248 1003 5.4081246e-11 4.8461981e-11 5.6192658e-12 -number of iterations: 5000 -maxz = 4.197474e-04 -S-sub-bulk = 4.916834e-03 -S-sub-base = 2.923021e-05 -S-nh4-bulk = 1.486252e-03 -S-nh4-base = 1.561105e-04 - - 236119 1.443845 10343 0.00040861462 0 9335 1008 5.4434771e-11 4.8785481e-11 5.6492909e-12 -Loop time of 1.44386 on 4 procs for 1 steps with 10343 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 236119 0 10343 0.00040861462 0 9335 1008 5.4434771e-11 4.8785481e-11 5.6492909e-12 - 236236 0.25729012 10343 0.00041015252 0 9335 1008 5.4434771e-11 4.8785481e-11 5.6492909e-12 - 237237 1.8163731 10343 0.00041118751 0 9335 1008 5.4434771e-11 4.8785481e-11 5.6492909e-12 - 238119 3.106245 10343 0.00041190969 0 9335 1008 5.4434771e-11 4.8785481e-11 5.6492909e-12 -Loop time of 3.10628 on 4 procs for 2000 steps with 10343 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 238119 0 10343 0.00041190969 0 9335 1008 5.4434771e-11 4.8785481e-11 5.6492909e-12 -number of iterations: 868 -maxz = 4.243170e-04 -S-sub-bulk = 4.676686e-03 -S-sub-base = 2.897477e-05 -S-nh4-bulk = 1.492189e-03 -S-nh4-base = 1.555782e-04 - - 238120 0.34588099 10428 0.00041213196 0 9413 1015 5.4804996e-11 4.9125488e-11 5.6795081e-12 -Loop time of 0.345895 on 4 procs for 1 steps with 10428 atoms - -99.5% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 238120 0 10428 0.00041213196 0 9413 1015 5.4804996e-11 4.9125488e-11 5.6795081e-12 - 238238 0.27340293 10428 0.00041379178 0 9413 1015 5.4804996e-11 4.9125488e-11 5.6795081e-12 - 239239 1.8624518 10428 0.00041435016 0 9413 1015 5.4804996e-11 4.9125488e-11 5.6795081e-12 - 240120 3.1833839 10428 0.00041461569 0 9413 1015 5.4804996e-11 4.9125488e-11 5.6795081e-12 -Loop time of 3.18341 on 4 procs for 2000 steps with 10428 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 240120 0 10428 0.00041461569 0 9413 1015 5.4804996e-11 4.9125488e-11 5.6795081e-12 -number of iterations: 5000 -maxz = 4.257290e-04 -S-sub-bulk = 4.939846e-03 -S-sub-base = 2.816629e-05 -S-nh4-bulk = 1.502639e-03 -S-nh4-base = 1.529851e-04 - - 240121 1.6651092 10504 0.0004146669 0 9484 1020 5.5131398e-11 4.9421941e-11 5.7094577e-12 -Loop time of 1.66513 on 4 procs for 1 steps with 10504 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 240121 0 10504 0.0004146669 0 9484 1020 5.5131398e-11 4.9421941e-11 5.7094577e-12 - 240240 0.27159309 10504 0.00041616678 0 9484 1020 5.5131398e-11 4.9421941e-11 5.7094577e-12 - 241241 1.8589451 10504 0.00041702452 0 9484 1020 5.5131398e-11 4.9421941e-11 5.7094577e-12 - 242121 3.1826351 10504 0.00041749974 0 9484 1020 5.5131398e-11 4.9421941e-11 5.7094577e-12 -Loop time of 3.18266 on 4 procs for 2000 steps with 10504 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 242121 0 10504 0.00041749974 0 9484 1020 5.5131398e-11 4.9421941e-11 5.7094577e-12 -number of iterations: 5000 -maxz = 4.313337e-04 -S-sub-bulk = 4.964084e-03 -S-sub-base = 2.656422e-05 -S-nh4-bulk = 1.513377e-03 -S-nh4-base = 1.505864e-04 - - 242122 1.4846768 10585 0.0004177459 0 9563 1022 5.5471809e-11 4.9732559e-11 5.7392495e-12 -Loop time of 1.48469 on 4 procs for 1 steps with 10585 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 242122 0 10585 0.0004177459 0 9563 1022 5.5471809e-11 4.9732559e-11 5.7392495e-12 - 242242 0.27004099 10585 0.00041861139 0 9563 1022 5.5471809e-11 4.9732559e-11 5.7392495e-12 - 243243 1.81673 10585 0.00041961379 0 9563 1022 5.5471809e-11 4.9732559e-11 5.7392495e-12 - 244122 3.1353159 10585 0.00042020644 0 9563 1022 5.5471809e-11 4.9732559e-11 5.7392495e-12 -Loop time of 3.13534 on 4 procs for 2000 steps with 10585 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 244122 0 10585 0.00042020644 0 9563 1022 5.5471809e-11 4.9732559e-11 5.7392495e-12 -number of iterations: 5000 -maxz = 4.352960e-04 -S-sub-bulk = 5.164604e-03 -S-sub-base = 2.490946e-05 -S-nh4-bulk = 1.526071e-03 -S-nh4-base = 1.486890e-04 - - 244123 1.51337 10657 0.00042042127 0 9629 1028 5.5792911e-11 5.0024088e-11 5.7688234e-12 -Loop time of 1.51338 on 4 procs for 1 steps with 10657 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 244123 0 10657 0.00042042127 0 9629 1028 5.5792911e-11 5.0024088e-11 5.7688234e-12 - 244244 0.269099 10657 0.00042173025 0 9629 1028 5.5792911e-11 5.0024088e-11 5.7688234e-12 - 245245 2.1541281 10657 0.00042259813 0 9629 1028 5.5792911e-11 5.0024088e-11 5.7688234e-12 - 246123 3.5710731 10657 0.00042320004 0 9629 1028 5.5792911e-11 5.0024088e-11 5.7688234e-12 -Loop time of 3.5711 on 4 procs for 2000 steps with 10657 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 246123 0 10657 0.00042320004 0 9629 1028 5.5792911e-11 5.0024088e-11 5.7688234e-12 -number of iterations: 5000 -maxz = 4.369873e-04 -S-sub-bulk = 5.118882e-03 -S-sub-base = 2.376053e-05 -S-nh4-bulk = 1.539918e-03 -S-nh4-base = 1.464759e-04 - - 246124 1.7648652 10746 0.00042374239 0 9711 1035 5.6130302e-11 5.033211e-11 5.7981919e-12 -Loop time of 1.76488 on 4 procs for 1 steps with 10746 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 246124 0 10746 0.00042374239 0 9711 1035 5.6130302e-11 5.033211e-11 5.7981919e-12 - 246246 0.42593098 10746 0.00042476266 0 9711 1035 5.6130302e-11 5.033211e-11 5.7981919e-12 - 247247 2.374892 10746 0.00042560268 0 9711 1035 5.6130302e-11 5.033211e-11 5.7981919e-12 - 248124 3.9790111 10746 0.00042619447 0 9711 1035 5.6130302e-11 5.033211e-11 5.7981919e-12 -Loop time of 3.97905 on 4 procs for 2000 steps with 10746 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 248124 0 10746 0.00042619447 0 9711 1035 5.6130302e-11 5.033211e-11 5.7981919e-12 -number of iterations: 598 -maxz = 4.395050e-04 -S-sub-bulk = 4.896765e-03 -S-sub-base = 2.361858e-05 -S-nh4-bulk = 1.542593e-03 -S-nh4-base = 1.462388e-04 - - 248125 0.19625998 10827 0.00042622392 0 9787 1040 5.6483709e-11 5.0655943e-11 5.8277657e-12 -Loop time of 0.196275 on 4 procs for 1 steps with 10827 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 248125 0 10827 0.00042622392 0 9787 1040 5.6483709e-11 5.0655943e-11 5.8277657e-12 - 248248 0.39105105 10827 0.00042742122 0 9787 1040 5.6483709e-11 5.0655943e-11 5.8277657e-12 - 249249 2.123462 10827 0.00042806995 0 9787 1040 5.6483709e-11 5.0655943e-11 5.8277657e-12 - 250125 3.39991 10827 0.00042847046 0 9787 1040 5.6483709e-11 5.0655943e-11 5.8277657e-12 -Loop time of 3.39994 on 4 procs for 2000 steps with 10827 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 250125 0 10827 0.00042847046 0 9787 1040 5.6483709e-11 5.0655943e-11 5.8277657e-12 -number of iterations: 5000 -maxz = 4.419634e-04 -S-sub-bulk = 4.787482e-03 -S-sub-base = 2.293344e-05 -S-nh4-bulk = 1.544066e-03 -S-nh4-base = 1.442804e-04 - - 250126 1.517909 10905 0.00042871909 0 9864 1041 5.6830043e-11 5.0972729e-11 5.8573132e-12 -Loop time of 1.51792 on 4 procs for 1 steps with 10905 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 250126 0 10905 0.00042871909 0 9864 1041 5.6830043e-11 5.0972729e-11 5.8573132e-12 - 250250 0.29342389 10905 0.00043060638 0 9864 1041 5.6830043e-11 5.0972729e-11 5.8573132e-12 - 251251 1.954819 10905 0.00043182057 0 9864 1041 5.6830043e-11 5.0972729e-11 5.8573132e-12 - 252126 3.596293 10905 0.0004320346 0 9864 1041 5.6830043e-11 5.0972729e-11 5.8573132e-12 -Loop time of 3.59632 on 4 procs for 2000 steps with 10905 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 252126 0 10905 0.0004320346 0 9864 1041 5.6830043e-11 5.0972729e-11 5.8573132e-12 -number of iterations: 5000 -maxz = 4.443461e-04 -S-sub-bulk = 5.058045e-03 -S-sub-base = 2.235847e-05 -S-nh4-bulk = 1.547171e-03 -S-nh4-base = 1.432835e-04 - - 252127 1.6246381 10994 0.00043252316 0 9945 1049 5.7141253e-11 5.1254508e-11 5.8867454e-12 -Loop time of 1.62465 on 4 procs for 1 steps with 10994 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 252127 0 10994 0.00043252316 0 9945 1049 5.7141253e-11 5.1254508e-11 5.8867454e-12 - 252252 0.30185008 10994 0.00043379277 0 9945 1049 5.7141253e-11 5.1254508e-11 5.8867454e-12 - 253253 1.932864 10994 0.00043476204 0 9945 1049 5.7141253e-11 5.1254508e-11 5.8867454e-12 - 254127 3.2821081 10994 0.00043505786 0 9945 1049 5.7141253e-11 5.1254508e-11 5.8867454e-12 -Loop time of 3.28214 on 4 procs for 2000 steps with 10994 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 254127 0 10994 0.00043505786 0 9945 1049 5.7141253e-11 5.1254508e-11 5.8867454e-12 -number of iterations: 5000 -maxz = 4.472253e-04 -S-sub-bulk = 5.072155e-03 -S-sub-base = 2.100913e-05 -S-nh4-bulk = 1.553813e-03 -S-nh4-base = 1.416780e-04 - - 254128 1.554733 11067 0.00043524957 0 10014 1053 5.7468027e-11 5.1552047e-11 5.9159799e-12 -Loop time of 1.55475 on 4 procs for 1 steps with 11067 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 254128 0 11067 0.00043524957 0 10014 1053 5.7468027e-11 5.1552047e-11 5.9159799e-12 - 254254 0.31528401 11067 0.00043657198 0 10014 1053 5.7468027e-11 5.1552047e-11 5.9159799e-12 - 255255 2.051399 11067 0.00043780141 0 10014 1053 5.7468027e-11 5.1552047e-11 5.9159799e-12 - 256128 3.484421 11067 0.00043869147 0 10014 1053 5.7468027e-11 5.1552047e-11 5.9159799e-12 -Loop time of 3.48445 on 4 procs for 2000 steps with 11067 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 256128 0 11067 0.00043869147 0 10014 1053 5.7468027e-11 5.1552047e-11 5.9159799e-12 -number of iterations: 3793 -maxz = 4.498972e-04 -S-sub-bulk = 4.866956e-03 -S-sub-base = 1.998264e-05 -S-nh4-bulk = 1.558247e-03 -S-nh4-base = 1.402267e-04 - - 256129 1.3204601 11147 0.00043878902 0 10089 1058 5.7813295e-11 5.1868113e-11 5.9451819e-12 -Loop time of 1.32047 on 4 procs for 1 steps with 11147 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 256129 0 11147 0.00043878902 0 10089 1058 5.7813295e-11 5.1868113e-11 5.9451819e-12 - 256256 0.41750097 11147 0.00043993382 0 10089 1058 5.7813295e-11 5.1868113e-11 5.9451819e-12 - 257257 2.4968271 11147 0.00044067331 0 10089 1058 5.7813295e-11 5.1868113e-11 5.9451819e-12 - 258129 4.4002311 11147 0.00044104306 0 10089 1058 5.7813295e-11 5.1868113e-11 5.9451819e-12 -Loop time of 4.40026 on 4 procs for 2000 steps with 11147 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 258129 0 11147 0.00044104306 0 10089 1058 5.7813295e-11 5.1868113e-11 5.9451819e-12 -number of iterations: 3667 -maxz = 4.537441e-04 -S-sub-bulk = 4.673395e-03 -S-sub-base = 1.958145e-05 -S-nh4-bulk = 1.558998e-03 -S-nh4-base = 1.390512e-04 - - 258130 1.267199 11241 0.00044127127 0 10172 1069 5.8160686e-11 5.2186262e-11 5.9744238e-12 -Loop time of 1.26721 on 4 procs for 1 steps with 11241 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 258130 0 11241 0.00044127127 0 10172 1069 5.8160686e-11 5.2186262e-11 5.9744238e-12 - 258258 0.41152215 11241 0.00044252705 0 10172 1069 5.8160686e-11 5.2186262e-11 5.9744238e-12 - 259259 2.4283001 11241 0.00044318986 0 10172 1069 5.8160686e-11 5.2186262e-11 5.9744238e-12 - 260130 3.825444 11241 0.00044354147 0 10172 1069 5.8160686e-11 5.2186262e-11 5.9744238e-12 -Loop time of 3.82547 on 4 procs for 2000 steps with 11241 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 260130 0 11241 0.00044354147 0 10172 1069 5.8160686e-11 5.2186262e-11 5.9744238e-12 -number of iterations: 5000 -maxz = 4.560189e-04 -S-sub-bulk = 4.978188e-03 -S-sub-base = 1.937325e-05 -S-nh4-bulk = 1.562496e-03 -S-nh4-base = 1.378869e-04 - - 260131 1.6004829 11311 0.00044366435 0 10235 1076 5.8463825e-11 5.2460308e-11 6.0035169e-12 -Loop time of 1.6005 on 4 procs for 1 steps with 11311 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 260131 0 11311 0.00044366435 0 10235 1076 5.8463825e-11 5.2460308e-11 6.0035169e-12 - 260260 0.32941818 11311 0.00044512039 0 10235 1076 5.8463825e-11 5.2460308e-11 6.0035169e-12 - 261261 2.0402842 11311 0.0004461499 0 10235 1076 5.8463825e-11 5.2460308e-11 6.0035169e-12 - 262131 3.4633381 11311 0.00044670654 0 10235 1076 5.8463825e-11 5.2460308e-11 6.0035169e-12 -Loop time of 3.46336 on 4 procs for 2000 steps with 11311 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 262131 0 11311 0.00044670654 0 10235 1076 5.8463825e-11 5.2460308e-11 6.0035169e-12 -number of iterations: 5000 -maxz = 4.578802e-04 -S-sub-bulk = 4.986465e-03 -S-sub-base = 1.833974e-05 -S-nh4-bulk = 1.570806e-03 -S-nh4-base = 1.361244e-04 - - 262132 1.6233952 11395 0.00044701771 0 10312 1083 5.8785439e-11 5.2753077e-11 6.0323627e-12 -Loop time of 1.62341 on 4 procs for 1 steps with 11395 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 262132 0 11395 0.00044701771 0 10312 1083 5.8785439e-11 5.2753077e-11 6.0323627e-12 - 262262 0.30665994 11395 0.00044830923 0 10312 1083 5.8785439e-11 5.2753077e-11 6.0323627e-12 - 263263 2.2339079 11395 0.00044928437 0 10312 1083 5.8785439e-11 5.2753077e-11 6.0323627e-12 - 264132 3.852186 11395 0.00044974299 0 10312 1083 5.8785439e-11 5.2753077e-11 6.0323627e-12 -Loop time of 3.85221 on 4 procs for 2000 steps with 11395 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 264132 0 11395 0.00044974299 0 10312 1083 5.8785439e-11 5.2753077e-11 6.0323627e-12 -number of iterations: 4448 -maxz = 4.607306e-04 -S-sub-bulk = 4.795453e-03 -S-sub-base = 1.723838e-05 -S-nh4-bulk = 1.577777e-03 -S-nh4-base = 1.343945e-04 - - 264133 1.7975669 11483 0.00044986217 0 10394 1089 5.9123803e-11 5.3062671e-11 6.0611318e-12 -Loop time of 1.79758 on 4 procs for 1 steps with 11483 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 264133 0 11483 0.00044986217 0 10394 1089 5.9123803e-11 5.3062671e-11 6.0611318e-12 - 264264 0.442801 11483 0.00045133813 0 10394 1089 5.9123803e-11 5.3062671e-11 6.0611318e-12 - 265265 2.7806211 11483 0.00045233928 0 10394 1089 5.9123803e-11 5.3062671e-11 6.0611318e-12 - 266133 4.50067 11483 0.00045253344 0 10394 1089 5.9123803e-11 5.3062671e-11 6.0611318e-12 -Loop time of 4.5007 on 4 procs for 2000 steps with 11483 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 266133 0 11483 0.00045253344 0 10394 1089 5.9123803e-11 5.3062671e-11 6.0611318e-12 -number of iterations: 5000 -maxz = 4.662544e-04 -S-sub-bulk = 5.008265e-03 -S-sub-base = 1.683021e-05 -S-nh4-bulk = 1.587217e-03 -S-nh4-base = 1.328911e-04 - - 266134 1.978801 11560 0.00045261587 0 10468 1092 5.9426795e-11 5.333709e-11 6.0897046e-12 -Loop time of 1.97882 on 4 procs for 1 steps with 11560 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 266134 0 11560 0.00045261587 0 10468 1092 5.9426795e-11 5.333709e-11 6.0897046e-12 - 266266 0.38164711 11560 0.00045432145 0 10468 1092 5.9426795e-11 5.333709e-11 6.0897046e-12 - 267267 2.8288131 11560 0.00045566026 0 10468 1092 5.9426795e-11 5.333709e-11 6.0897046e-12 - 268134 4.7511511 11560 0.0004561726 0 10468 1092 5.9426795e-11 5.333709e-11 6.0897046e-12 -Loop time of 4.75118 on 4 procs for 2000 steps with 11560 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 268134 0 11560 0.0004561726 0 10468 1092 5.9426795e-11 5.333709e-11 6.0897046e-12 -number of iterations: 5000 -maxz = 4.707711e-04 -S-sub-bulk = 4.984058e-03 -S-sub-base = 1.629061e-05 -S-nh4-bulk = 1.597832e-03 -S-nh4-base = 1.312612e-04 - - 268135 2.0335779 11637 0.00045644931 0 10540 1097 5.9745036e-11 5.362693e-11 6.1181066e-12 -Loop time of 2.0336 on 4 procs for 1 steps with 11637 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 268135 0 11637 0.00045644931 0 10540 1097 5.9745036e-11 5.362693e-11 6.1181066e-12 - 268268 0.38726807 11637 0.0004575496 0 10540 1097 5.9745036e-11 5.362693e-11 6.1181066e-12 - 269269 2.5420291 11637 0.00045879796 0 10540 1097 5.9745036e-11 5.362693e-11 6.1181066e-12 - 270135 4.4207561 11637 0.00045943681 0 10540 1097 5.9745036e-11 5.362693e-11 6.1181066e-12 -Loop time of 4.42078 on 4 procs for 2000 steps with 11637 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 270135 0 11637 0.00045943681 0 10540 1097 5.9745036e-11 5.362693e-11 6.1181066e-12 -number of iterations: 5000 -maxz = 4.725700e-04 -S-sub-bulk = 5.168504e-03 -S-sub-base = 1.543202e-05 -S-nh4-bulk = 1.611310e-03 -S-nh4-base = 1.295904e-04 - - 270136 2.1231291 11711 0.00045961744 0 10610 1101 6.0042269e-11 5.3896e-11 6.1462684e-12 -Loop time of 2.12314 on 4 procs for 1 steps with 11711 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 270136 0 11711 0.00045961744 0 10610 1101 6.0042269e-11 5.3896e-11 6.1462684e-12 - 270270 0.45691895 11711 0.0004610647 0 10610 1101 6.0042269e-11 5.3896e-11 6.1462684e-12 - 271271 2.849318 11711 0.00046191458 0 10610 1101 6.0042269e-11 5.3896e-11 6.1462684e-12 - 272136 4.611593 11711 0.00046237896 0 10610 1101 6.0042269e-11 5.3896e-11 6.1462684e-12 -Loop time of 4.61162 on 4 procs for 2000 steps with 11711 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 272136 0 11711 0.00046237896 0 10610 1101 6.0042269e-11 5.3896e-11 6.1462684e-12 -number of iterations: 5000 -maxz = 4.760391e-04 -S-sub-bulk = 5.146667e-03 -S-sub-base = 1.479523e-05 -S-nh4-bulk = 1.626059e-03 -S-nh4-base = 1.278528e-04 - - 272137 1.999758 11786 0.00046263121 0 10679 1107 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 1.99978 on 4 procs for 1 steps with 11786 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 272137 0 11786 0.00046263121 0 10679 1107 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 272272 0.39860988 11786 0.00046348906 0 10679 1107 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 273273 2.8110199 11786 0.00046464774 0 10679 1107 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 274137 4.5241311 11786 0.00046496196 0 10679 1107 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.52417 on 4 procs for 2000 steps with 11786 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 274137 0 11786 0.00046496196 0 10679 1107 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 1278 -maxz = 4.788458e-04 -S-sub-bulk = 4.937295e-03 -S-sub-base = 1.460945e-05 -S-nh4-bulk = 1.631889e-03 -S-nh4-base = 1.273975e-04 - - 274138 0.54923391 11876 0.00046500959 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.549253 on 4 procs for 1 steps with 11876 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 274138 0 11876 0.00046500959 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 274274 0.39340281 11876 0.00046587757 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 275275 2.5297768 11876 0.00046666024 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 276138 4.319057 11876 0.00046716431 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.31908 on 4 procs for 2000 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 276138 0 11876 0.00046716431 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 3051 -maxz = 4.806577e-04 -S-sub-bulk = 4.864839e-03 -S-sub-base = 1.421918e-05 -S-nh4-bulk = 1.640470e-03 -S-nh4-base = 1.264708e-04 - - 276139 1.3591669 11876 0.0004671633 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 1.35918 on 4 procs for 1 steps with 11876 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 276139 0 11876 0.0004671633 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 276276 0.2961061 11876 0.00046731886 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 277277 2.6097701 11876 0.00046831347 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 278139 4.4739962 11876 0.00046892709 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.47402 on 4 procs for 2000 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 278139 0 11876 0.00046892709 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 5000 -maxz = 4.809174e-04 -S-sub-bulk = 5.237468e-03 -S-sub-base = 1.383544e-05 -S-nh4-bulk = 1.653162e-03 -S-nh4-base = 1.258153e-04 - - 278140 2.0924909 11876 0.00046884849 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 2.09251 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 278140 0 11876 0.00046884849 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 278278 0.27972889 11876 0.00046899021 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 279279 2.4231989 11876 0.00046982624 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 280140 4.2462459 11876 0.00047025505 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.2463 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 280140 0 11876 0.00047025505 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 5000 -maxz = 4.813143e-04 -S-sub-bulk = 5.353903e-03 -S-sub-base = 1.324950e-05 -S-nh4-bulk = 1.668287e-03 -S-nh4-base = 1.255117e-04 - - 280141 2.1207149 11876 0.00047033965 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 2.12073 on 4 procs for 1 steps with 11876 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 280141 0 11876 0.00047033965 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 280280 0.30133295 11876 0.0004703605 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 281281 2.3182859 11876 0.00047108538 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 282141 4.0634949 11876 0.00047158547 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.06352 on 4 procs for 2000 steps with 11876 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 282141 0 11876 0.00047158547 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 3067 -maxz = 4.823961e-04 -S-sub-bulk = 5.291033e-03 -S-sub-base = 1.277511e-05 -S-nh4-bulk = 1.681323e-03 -S-nh4-base = 1.253308e-04 - - 282142 1.35969 11876 0.00047157394 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 1.35971 on 4 procs for 1 steps with 11876 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 282142 0 11876 0.00047157394 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 282282 0.27724695 11876 0.00047162209 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 283283 2.3438809 11876 0.00047228401 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 284142 4.3227389 11876 0.0004727245 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.32277 on 4 procs for 2000 steps with 11876 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 284142 0 11876 0.0004727245 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 761 -maxz = 4.831636e-04 -S-sub-bulk = 5.182840e-03 -S-sub-base = 1.268677e-05 -S-nh4-bulk = 1.690571e-03 -S-nh4-base = 1.253128e-04 - - 284143 0.37330508 11876 0.00047268758 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.373319 on 4 procs for 1 steps with 11876 atoms - -99.6% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 284143 0 11876 0.00047268758 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 284284 0.29150605 11876 0.00047282002 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 285285 2.403132 11876 0.0004735457 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 286143 4.2564759 11876 0.0004741298 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.2565 on 4 procs for 2000 steps with 11876 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 286143 0 11876 0.0004741298 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 1296 -maxz = 4.844520e-04 -S-sub-bulk = 5.058750e-03 -S-sub-base = 1.257299e-05 -S-nh4-bulk = 1.696889e-03 -S-nh4-base = 1.253093e-04 - - 286144 0.54830313 11876 0.0004741291 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.548323 on 4 procs for 1 steps with 11876 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 286144 0 11876 0.0004741291 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 286286 0.28262806 11876 0.00047421901 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 287287 2.2787621 11876 0.00047487732 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 288144 3.6384101 11876 0.00047537852 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.63844 on 4 procs for 2000 steps with 11876 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 288144 0 11876 0.00047537852 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 2183 -maxz = 4.849945e-04 -S-sub-bulk = 4.978159e-03 -S-sub-base = 1.249389e-05 -S-nh4-bulk = 1.700284e-03 -S-nh4-base = 1.254154e-04 - - 288145 0.86421704 11876 0.00047532224 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.864237 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 288145 0 11876 0.00047532224 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 288288 0.32994008 11876 0.00047547289 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 289289 2.400032 11876 0.00047601949 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 290145 4.1921871 11876 0.00047642124 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.19221 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 290145 0 11876 0.00047642124 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 1924 -maxz = 4.858521e-04 -S-sub-bulk = 4.930395e-03 -S-sub-base = 1.252795e-05 -S-nh4-bulk = 1.700947e-03 -S-nh4-base = 1.256396e-04 - - 290146 0.8026979 11876 0.00047644225 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.802716 on 4 procs for 1 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 290146 0 11876 0.00047644225 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 290290 0.2823379 11876 0.0004764926 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 291291 2.1895039 11876 0.00047712297 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 292146 3.8865709 11876 0.00047758893 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.8866 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 292146 0 11876 0.00047758893 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 717 -maxz = 4.868514e-04 -S-sub-bulk = 4.873229e-03 -S-sub-base = 1.255807e-05 -S-nh4-bulk = 1.699980e-03 -S-nh4-base = 1.257641e-04 - - 292147 0.31153989 11876 0.00047759542 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.311557 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 292147 0 11876 0.00047759542 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 292292 0.26620388 11876 0.00047765549 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 293293 2.230881 11876 0.00047818626 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 294147 3.9809611 11876 0.00047856108 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.98099 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 294147 0 11876 0.00047856108 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 1829 -maxz = 4.877162e-04 -S-sub-bulk = 4.851911e-03 -S-sub-base = 1.264878e-05 -S-nh4-bulk = 1.696985e-03 -S-nh4-base = 1.261713e-04 - - 294148 0.74983883 11876 0.00047856408 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.749855 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 294148 0 11876 0.00047856408 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 294294 0.27876616 11876 0.00047872149 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 295295 2.2385931 11876 0.00047914487 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 296148 3.8664041 11876 0.00047950376 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.86643 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 296148 0 11876 0.00047950376 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 451 -maxz = 4.885771e-04 -S-sub-bulk = 4.803859e-03 -S-sub-base = 1.267038e-05 -S-nh4-bulk = 1.693589e-03 -S-nh4-base = 1.262909e-04 - - 296149 0.20009089 11876 0.00047941098 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.200107 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 296149 0 11876 0.00047941098 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 296296 0.29292297 11876 0.00047943081 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 297297 2.3715489 11876 0.0004799663 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 298149 4.0019798 11876 0.00048038085 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.00201 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 298149 0 11876 0.00048038085 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 1330 -maxz = 4.891780e-04 -S-sub-bulk = 4.773959e-03 -S-sub-base = 1.272236e-05 -S-nh4-bulk = 1.689283e-03 -S-nh4-base = 1.266792e-04 - - 298150 0.54734683 11876 0.00048039501 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.547361 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 298150 0 11876 0.00048039501 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 298298 0.27627897 11876 0.00048042927 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 299299 2.3811672 11876 0.00048091875 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 300150 4.007838 11876 0.00048128034 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.00787 on 4 procs for 2000 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 300150 0 11876 0.00048128034 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 612 -maxz = 4.901271e-04 -S-sub-bulk = 4.730725e-03 -S-sub-base = 1.273972e-05 -S-nh4-bulk = 1.685086e-03 -S-nh4-base = 1.268738e-04 - - 300151 0.26349902 11876 0.00048119995 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.263514 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 300151 0 11876 0.00048119995 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 300300 0.281286 11876 0.00048132948 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 301301 2.2108729 11876 0.00048185388 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 302151 3.8578768 11876 0.00048216715 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.85791 on 4 procs for 2000 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 302151 0 11876 0.00048216715 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 5000 -maxz = 4.911891e-04 -S-sub-bulk = 5.134100e-03 -S-sub-base = 1.273148e-05 -S-nh4-bulk = 1.681617e-03 -S-nh4-base = 1.285157e-04 - - 302152 2.112972 11876 0.00048224698 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 2.11299 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 302152 0 11876 0.00048224698 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 302302 0.28911901 11876 0.00048226871 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 303303 2.1340849 11876 0.0004826129 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 304152 3.8058631 11876 0.00048306233 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.80589 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 304152 0 11876 0.00048306233 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 5000 -maxz = 4.917857e-04 -S-sub-bulk = 5.258394e-03 -S-sub-base = 1.232745e-05 -S-nh4-bulk = 1.684336e-03 -S-nh4-base = 1.292102e-04 - - 304153 2.1387579 11876 0.00048297797 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 2.13877 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 304153 0 11876 0.00048297797 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 304304 0.27591395 11876 0.00048317371 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 305305 2.121666 11876 0.00048359452 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 306153 3.7655921 11876 0.00048404049 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.76562 on 4 procs for 2000 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 306153 0 11876 0.00048404049 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 3000 -maxz = 4.929158e-04 -S-sub-bulk = 5.208572e-03 -S-sub-base = 1.192432e-05 -S-nh4-bulk = 1.689633e-03 -S-nh4-base = 1.291059e-04 - - 306154 1.30796 11876 0.00048386571 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 1.30798 on 4 procs for 1 steps with 11876 atoms - -99.8% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 306154 0 11876 0.00048386571 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 306306 0.34126997 11876 0.00048392673 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 307307 2.191792 11876 0.00048437936 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 308154 3.7726769 11876 0.00048481842 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.7727 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 308154 0 11876 0.00048481842 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 680 -maxz = 4.931308e-04 -S-sub-bulk = 5.116275e-03 -S-sub-base = 1.184835e-05 -S-nh4-bulk = 1.693743e-03 -S-nh4-base = 1.290627e-04 - - 308155 0.31273699 11876 0.00048464611 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.312753 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 308155 0 11876 0.00048464611 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 308308 0.27794099 11876 0.00048487168 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 309309 2.1341119 11876 0.0004852577 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 310155 3.9153199 11876 0.00048568214 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.91535 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 310155 0 11876 0.00048568214 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 908 -maxz = 4.939748e-04 -S-sub-bulk = 5.017257e-03 -S-sub-base = 1.176494e-05 -S-nh4-bulk = 1.697558e-03 -S-nh4-base = 1.289994e-04 - - 310156 0.38495302 11876 0.00048573532 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.384967 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 310156 0 11876 0.00048573532 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 310310 0.27577305 11876 0.00048572165 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 311311 2.162807 11876 0.00048605956 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 312156 3.7064431 11876 0.00048635062 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.70647 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 312156 0 11876 0.00048635062 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 1732 -maxz = 4.946685e-04 -S-sub-bulk = 4.953086e-03 -S-sub-base = 1.166586e-05 -S-nh4-bulk = 1.700941e-03 -S-nh4-base = 1.288844e-04 - - 312157 0.73497987 11876 0.00048632494 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.735 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 312157 0 11876 0.00048632494 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 312312 0.27179408 11876 0.00048641665 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 313313 2.120975 11876 0.0004869114 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 314157 3.7117989 11876 0.00048723049 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.71182 on 4 procs for 2000 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 314157 0 11876 0.00048723049 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 1483 -maxz = 4.953923e-04 -S-sub-bulk = 4.911418e-03 -S-sub-base = 1.164742e-05 -S-nh4-bulk = 1.703876e-03 -S-nh4-base = 1.288029e-04 - - 314158 0.63538599 11876 0.00048726105 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.635401 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 314158 0 11876 0.00048726105 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 314314 0.28937602 11876 0.00048736097 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 315315 2.1857972 11876 0.0004876189 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 316158 3.7332902 11876 0.00048794642 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.73332 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 316158 0 11876 0.00048794642 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 864 -maxz = 4.958873e-04 -S-sub-bulk = 4.871832e-03 -S-sub-base = 1.166101e-05 -S-nh4-bulk = 1.705545e-03 -S-nh4-base = 1.287736e-04 - - 316159 0.367908 11876 0.00048801449 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.367925 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 316159 0 11876 0.00048801449 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 316316 0.28872895 11876 0.0004880902 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 317317 2.0968809 11876 0.00048834878 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 318159 3.6647499 11876 0.00048869706 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.66477 on 4 procs for 2000 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 318159 0 11876 0.00048869706 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 1199 -maxz = 4.965199e-04 -S-sub-bulk = 4.844804e-03 -S-sub-base = 1.170362e-05 -S-nh4-bulk = 1.706590e-03 -S-nh4-base = 1.287549e-04 - - 318160 0.54959488 11876 0.00048867324 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.549617 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 318160 0 11876 0.00048867324 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 318318 0.28931093 11876 0.00048870439 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 319319 2.1534169 11876 0.00048908327 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 320160 3.646297 11876 0.00048940188 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.64633 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 320160 0 11876 0.00048940188 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 536 -maxz = 4.975274e-04 -S-sub-bulk = 4.804791e-03 -S-sub-base = 1.172800e-05 -S-nh4-bulk = 1.706729e-03 -S-nh4-base = 1.287583e-04 - - 320161 0.23614287 11876 0.0004894123 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.236158 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 320161 0 11876 0.0004894123 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 320320 0.28850293 11876 0.00048944305 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 321321 2.0444219 11876 0.00048981099 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 322161 3.5424371 11876 0.0004901275 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.54246 on 4 procs for 2000 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 322161 0 11876 0.0004901275 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 1481 -maxz = 4.982491e-04 -S-sub-bulk = 4.793333e-03 -S-sub-base = 1.180223e-05 -S-nh4-bulk = 1.706239e-03 -S-nh4-base = 1.288055e-04 - - 322162 0.64968801 11876 0.00049012419 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.649704 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 322162 0 11876 0.00049012419 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 322322 0.29255605 11876 0.00049020285 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 323323 2.141521 11876 0.00049060635 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 324162 3.6373689 11876 0.00049077002 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.6374 on 4 procs for 2000 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 324162 0 11876 0.00049077002 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 617 -maxz = 4.987872e-04 -S-sub-bulk = 4.769384e-03 -S-sub-base = 1.183208e-05 -S-nh4-bulk = 1.705116e-03 -S-nh4-base = 1.288433e-04 - - 324163 0.26550102 11876 0.00049080671 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.265516 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 324163 0 11876 0.00049080671 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 324324 0.30342412 11876 0.00049087732 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 325325 2.099735 11876 0.00049123138 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 326163 3.589113 11876 0.00049153768 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 3.58914 on 4 procs for 2000 steps with 11876 atoms - -99.9% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 326163 0 11876 0.00049153768 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 408 -maxz = 4.996667e-04 -S-sub-bulk = 4.729570e-03 -S-sub-base = 1.185070e-05 -S-nh4-bulk = 1.703868e-03 -S-nh4-base = 1.288745e-04 - - 326164 0.18336296 11876 0.00049143698 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 0.183382 on 4 procs for 1 steps with 11876 atoms - -100.0% CPU use with 4 MPI tasks x no OpenMP threads -fix_modify k1 demflag 1 -fix_modify d1 demflag 1 -fix_modify vf1 demflag 1 -timestep 0.1 -run 2000 pre no post no -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 326164 0 11876 0.00049143698 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 326326 0.29276896 11876 0.00049147795 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 327327 2.4412959 11876 0.00049189475 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 - 328164 4.05369 11876 0.00049209901 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -Loop time of 4.05372 on 4 procs for 2000 steps with 11876 atoms - -99.7% CPU use with 4 MPI tasks x no OpenMP threads -timestep 1440 -fix_modify k1 demflag 0 -fix_modify d1 demflag 0 -fix_modify vf1 demflag 0 -Step CPU Atoms c_myHeight c_myNtype[1] c_myNtype[2] c_myNtype[3] c_myMass[1] c_myMass[2] c_myMass[3] - 328164 0 11876 0.00049209901 0 10765 1111 6.0352595e-11 5.4178371e-11 6.1742234e-12 -number of iterations: 955 -maxz = 5.002316e-04 -S-sub-bulk = 4.702834e-03 -S-sub-base = 1.188959e-05 -S-nh4-bulk = 1.701723e-03 -S-nh4-base = 1.289612e-04 - -number of iterations: 18105 -S-sub-bulk = 5.381222e-03 -S-sub-base = 1.045560e-05 -S-nh4-bulk = 1.718155e-03 -S-nh4-base = 1.291788e-04 - -number of iterations: 17722 -S-sub-bulk = 5.184982e-03 -S-sub-base = 1.105473e-05 -S-nh4-bulk = 1.733418e-03 -S-nh4-base = 1.297349e-04 - -number of iterations: 1948 -S-sub-bulk = 5.105405e-03 -S-sub-base = 1.125051e-05 -S-nh4-bulk = 1.744295e-03 -S-nh4-base = 1.299733e-04 - -number of iterations: 1867 -S-sub-bulk = 5.116154e-03 -S-sub-base = 1.140211e-05 -S-nh4-bulk = 1.751694e-03 -S-nh4-base = 1.302046e-04 - -number of iterations: 119 -S-sub-bulk = 5.127427e-03 -S-sub-base = 1.141062e-05 -S-nh4-bulk = 1.757071e-03 -S-nh4-base = 1.302195e-04 - -number of iterations: 155 -S-sub-bulk = 5.139531e-03 -S-sub-base = 1.142151e-05 -S-nh4-bulk = 1.760934e-03 -S-nh4-base = 1.302390e-04 - -number of iterations: 136 -S-sub-bulk = 5.151303e-03 -S-sub-base = 1.143088e-05 -S-nh4-bulk = 1.763691e-03 -S-nh4-base = 1.302562e-04 - -number of iterations: 117 -S-sub-bulk = 5.162055e-03 -S-sub-base = 1.143879e-05 -S-nh4-bulk = 1.765644e-03 -S-nh4-base = 1.302710e-04 - -number of iterations: 126 -S-sub-bulk = 5.171834e-03 -S-sub-base = 1.144718e-05 -S-nh4-bulk = 1.766999e-03 -S-nh4-base = 1.302871e-04 - -number of iterations: 134 -S-sub-bulk = 5.180651e-03 -S-sub-base = 1.145593e-05 -S-nh4-bulk = 1.767908e-03 -S-nh4-base = 1.303042e-04 - -number of iterations: 126 -S-sub-bulk = 5.188373e-03 -S-sub-base = 1.146400e-05 -S-nh4-bulk = 1.768494e-03 -S-nh4-base = 1.303205e-04 - -number of iterations: 116 -S-sub-bulk = 5.194970e-03 -S-sub-base = 1.147130e-05 -S-nh4-bulk = 1.768847e-03 -S-nh4-base = 1.303355e-04 - -number of iterations: 99 -S-sub-bulk = 5.200449e-03 -S-sub-base = 1.147742e-05 -S-nh4-bulk = 1.769041e-03 -S-nh4-base = 1.303484e-04 - -number of iterations: 92 -S-sub-bulk = 5.204941e-03 -S-sub-base = 1.148303e-05 -S-nh4-bulk = 1.769121e-03 -S-nh4-base = 1.303605e-04 - -number of iterations: 82 -S-sub-bulk = 5.208570e-03 -S-sub-base = 1.148795e-05 -S-nh4-bulk = 1.769124e-03 -S-nh4-base = 1.303713e-04 - -number of iterations: 70 -S-sub-bulk = 5.211461e-03 -S-sub-base = 1.149210e-05 -S-nh4-bulk = 1.769078e-03 -S-nh4-base = 1.303806e-04 - -number of iterations: 59 -S-sub-bulk = 5.213738e-03 -S-sub-base = 1.149557e-05 -S-nh4-bulk = 1.769004e-03 -S-nh4-base = 1.303884e-04 - -number of iterations: 48 -S-sub-bulk = 5.215514e-03 -S-sub-base = 1.149836e-05 -S-nh4-bulk = 1.768917e-03 -S-nh4-base = 1.303949e-04 - -number of iterations: 47 -S-sub-bulk = 5.216904e-03 -S-sub-base = 1.150107e-05 -S-nh4-bulk = 1.768820e-03 -S-nh4-base = 1.304012e-04 - -number of iterations: 46 -S-sub-bulk = 5.217993e-03 -S-sub-base = 1.150370e-05 -S-nh4-bulk = 1.768717e-03 -S-nh4-base = 1.304073e-04 - -number of iterations: 44 -S-sub-bulk = 5.218847e-03 -S-sub-base = 1.150619e-05 -S-nh4-bulk = 1.768610e-03 -S-nh4-base = 1.304133e-04 - -number of iterations: 42 -S-sub-bulk = 5.219518e-03 -S-sub-base = 1.150856e-05 -S-nh4-bulk = 1.768503e-03 -S-nh4-base = 1.304190e-04 - -number of iterations: 41 -S-sub-bulk = 5.220049e-03 -S-sub-base = 1.151085e-05 -S-nh4-bulk = 1.768395e-03 -S-nh4-base = 1.304245e-04 - -number of iterations: 40 -S-sub-bulk = 5.220472e-03 -S-sub-base = 1.151306e-05 -S-nh4-bulk = 1.768287e-03 -S-nh4-base = 1.304300e-04 - -number of iterations: 39 -S-sub-bulk = 5.220812e-03 -S-sub-base = 1.151521e-05 -S-nh4-bulk = 1.768181e-03 -S-nh4-base = 1.304353e-04 - -number of iterations: 39 -S-sub-bulk = 5.221089e-03 -S-sub-base = 1.151734e-05 -S-nh4-bulk = 1.768074e-03 -S-nh4-base = 1.304406e-04 - -number of iterations: 38 -S-sub-bulk = 5.221318e-03 -S-sub-base = 1.151940e-05 -S-nh4-bulk = 1.767969e-03 -S-nh4-base = 1.304459e-04 - -number of iterations: 38 -S-sub-bulk = 5.221511e-03 -S-sub-base = 1.152144e-05 -S-nh4-bulk = 1.767865e-03 -S-nh4-base = 1.304511e-04 - -number of iterations: 37 -S-sub-bulk = 5.221676e-03 -S-sub-base = 1.152342e-05 -S-nh4-bulk = 1.767761e-03 -S-nh4-base = 1.304562e-04 - -number of iterations: 37 -S-sub-bulk = 5.221820e-03 -S-sub-base = 1.152538e-05 -S-nh4-bulk = 1.767658e-03 -S-nh4-base = 1.304613e-04 - -number of iterations: 37 -S-sub-bulk = 5.221950e-03 -S-sub-base = 1.152733e-05 -S-nh4-bulk = 1.767556e-03 -S-nh4-base = 1.304665e-04 - -number of iterations: 36 -S-sub-bulk = 5.222067e-03 -S-sub-base = 1.152921e-05 -S-nh4-bulk = 1.767454e-03 -S-nh4-base = 1.304715e-04 - -number of iterations: 36 -S-sub-bulk = 5.222176e-03 -S-sub-base = 1.153107e-05 -S-nh4-bulk = 1.767353e-03 -S-nh4-base = 1.304766e-04 - -number of iterations: 36 -S-sub-bulk = 5.222278e-03 -S-sub-base = 1.153292e-05 -S-nh4-bulk = 1.767252e-03 -S-nh4-base = 1.304816e-04 - -number of iterations: 36 -S-sub-bulk = 5.222375e-03 -S-sub-base = 1.153476e-05 -S-nh4-bulk = 1.767151e-03 -S-nh4-base = 1.304867e-04 - -number of iterations: 36 -S-sub-bulk = 5.222469e-03 -S-sub-base = 1.153658e-05 -S-nh4-bulk = 1.767050e-03 -S-nh4-base = 1.304918e-04 - -number of iterations: 36 -S-sub-bulk = 5.222560e-03 -S-sub-base = 1.153839e-05 -S-nh4-bulk = 1.766948e-03 -S-nh4-base = 1.304969e-04 - -number of iterations: 36 -S-sub-bulk = 5.222648e-03 -S-sub-base = 1.154018e-05 -S-nh4-bulk = 1.766847e-03 -S-nh4-base = 1.305020e-04 - -number of iterations: 36 -S-sub-bulk = 5.222733e-03 -S-sub-base = 1.154196e-05 -S-nh4-bulk = 1.766745e-03 -S-nh4-base = 1.305071e-04 - -number of iterations: 36 -S-sub-bulk = 5.222817e-03 -S-sub-base = 1.154372e-05 -S-nh4-bulk = 1.766643e-03 -S-nh4-base = 1.305123e-04 - -number of iterations: 35 -S-sub-bulk = 5.222899e-03 -S-sub-base = 1.154542e-05 -S-nh4-bulk = 1.766541e-03 -S-nh4-base = 1.305173e-04 - -number of iterations: 36 -S-sub-bulk = 5.222980e-03 -S-sub-base = 1.154715e-05 -S-nh4-bulk = 1.766438e-03 -S-nh4-base = 1.305225e-04 - -number of iterations: 35 -S-sub-bulk = 5.223059e-03 -S-sub-base = 1.154882e-05 -S-nh4-bulk = 1.766336e-03 -S-nh4-base = 1.305276e-04 - -number of iterations: 36 -S-sub-bulk = 5.223137e-03 -S-sub-base = 1.155053e-05 -S-nh4-bulk = 1.766233e-03 -S-nh4-base = 1.305328e-04 - -number of iterations: 35 -S-sub-bulk = 5.223213e-03 -S-sub-base = 1.155217e-05 -S-nh4-bulk = 1.766129e-03 -S-nh4-base = 1.305379e-04 - -number of iterations: 35 -S-sub-bulk = 5.223287e-03 -S-sub-base = 1.155380e-05 -S-nh4-bulk = 1.766026e-03 -S-nh4-base = 1.305430e-04 - -number of iterations: 35 -S-sub-bulk = 5.223360e-03 -S-sub-base = 1.155541e-05 -S-nh4-bulk = 1.765923e-03 -S-nh4-base = 1.305482e-04 - -number of iterations: 35 -S-sub-bulk = 5.223431e-03 -S-sub-base = 1.155701e-05 -S-nh4-bulk = 1.765819e-03 -S-nh4-base = 1.305533e-04 - -number of iterations: 35 -S-sub-bulk = 5.223501e-03 -S-sub-base = 1.155859e-05 -S-nh4-bulk = 1.765715e-03 -S-nh4-base = 1.305585e-04 - -number of iterations: 35 -S-sub-bulk = 5.223569e-03 -S-sub-base = 1.156016e-05 -S-nh4-bulk = 1.765611e-03 -S-nh4-base = 1.305637e-04 - -ERROR: Finish (../fix_bio_verify.cpp:310) diff --git a/examples/README.md b/examples/README.md old mode 100644 new mode 100755 index bb4f06786..aaf48a0d4 --- a/examples/README.md +++ b/examples/README.md @@ -1,13 +1,5 @@ -
       
-biofilm-anammox       A biofilm model that consists of heterotrophs (HET), nitrifiers (AOB+NOB), and Anammox (ANA)
-biofilm-het           A monospecies biofilm model that consists of HET and their EPS production
-biofilm-nitrifier     A biofilm model that consists of HET, their EPS production, AOB, and NOB
-closed-system         A closed biofilm system 
-competition-het       Microbial competition between HETy (high growth yield) and HETr (high growth rate)
-competition-energy    Microbial competition between HETy and HETr using energy-based growth model
-pressure-growth       Microbial growth under pressure
-restart-example       Example of using restart feature
-shear-detach          Modelling biofilm deformation and detachment with shear force
-PAPER-NUFEB-TOOL      Model inputscripts used in Li B, et al. PLoS Comput Biol. 2019, 15 (12)
-PAPER-CHEMICAL-IBM    Model inputscripts used in Gogulancea V, et al. Front Microbiol. 2019, 10, 1871
+
+axenic-cyanobacteria    An axenic model of  sucrose-secreting S. elongatus 
+axenic-ecw              An axenic model of E. coli
+cyanobacteria-sucrose   Co-culture with sucrose-secreting S. elongatus and E. coli
 

diff --git a/examples/competition-het/high-o2/Allclean.sh b/examples/axenic-cyanobacteria/Allclean.sh
similarity index 73%
rename from examples/competition-het/high-o2/Allclean.sh
rename to examples/axenic-cyanobacteria/Allclean.sh
index 768acbd26..2beec3482 100755
--- a/examples/competition-het/high-o2/Allclean.sh
+++ b/examples/axenic-cyanobacteria/Allclean.sh
@@ -4,5 +4,8 @@ rm dump_*
 rm atom_*
 rm slurm-*
 rm -rf Results
+rm -rf Sucrose*
+rm -rf Run*
+rm run*
 rm output.lammps
 rm log.lammps
diff --git a/examples/axenic-cyanobacteria/CO2vsBiomass.png b/examples/axenic-cyanobacteria/CO2vsBiomass.png
new file mode 100755
index 000000000..8ccfa1f1e
Binary files /dev/null and b/examples/axenic-cyanobacteria/CO2vsBiomass.png differ
diff --git a/examples/axenic-cyanobacteria/CO2vsBiomasstotal.png b/examples/axenic-cyanobacteria/CO2vsBiomasstotal.png
new file mode 100755
index 000000000..3af9c639b
Binary files /dev/null and b/examples/axenic-cyanobacteria/CO2vsBiomasstotal.png differ
diff --git a/examples/axenic-cyanobacteria/Co2_k_opt.py b/examples/axenic-cyanobacteria/Co2_k_opt.py
new file mode 100755
index 000000000..01de46c6a
--- /dev/null
+++ b/examples/axenic-cyanobacteria/Co2_k_opt.py
@@ -0,0 +1,237 @@
+import pandas as pd
+import matplotlib.pyplot as plt
+import numpy as np
+from scipy.integrate import odeint
+from glob import glob
+import pickle
+from sklearn.linear_model import LinearRegression
+Run_folders = glob('./Run_*/')
+def read_pkl(n):
+# read python dict back from the file
+    pkl_file = open(f"run_{n}.pkl", 'rb')
+    f = pickle.load(pkl_file)
+    pkl_file.close()
+    return f
+Run_params = [read_pkl(i) for i in range(1,len(Run_folders)+1)]
+ExportRatio = np.linspace(0,1,len(Run_folders))
+# K_s = []
+# for i,run in enumerate(runs,1):
+#     temp = open(f"atom_{i}.in","r").readlines()#
+#     for j in range(len(temp)):
+#         if '     cyano 0.00035 0.0002 0.01' in temp[j]:
+#             # print(temp[j])
+#             K_s.append(float(temp[j].split(' ')[-3]))
+# K_s = [float(open(f"atom_{i}.in","r").readlines()[134].split(' ')[-2]) for i in range(1,20)]
+types = ['./Run_%i/Results/ntypes.csv'%i for i in range(1,len(Run_folders)+1)]
+biomass = ['./Run_%i/Results/biomass.csv'%i for i in range(1,len(Run_folders)+1)]
+Cons = ['./Run_%i/Results/avg_concentration.csv'%i for i in range(1,len(Run_folders)+1)]
+ExpPath = 'C:/Users/Jonathan/Documents/sucrose and growth CSCB-SPS.xlsx'
+Control = pd.read_excel(ExpPath,sheet_name='Control')
+Control.Time = Control.Time/24
+IPTG = pd.read_excel(ExpPath,sheet_name='+IPTG')
+IPTG.Time = IPTG.Time/24
+SucroseMW = 342.3
+O2MW = 32
+CO2MW = 44.01
+dens = 1e9
+Volume = 1e-4*1e-4*1e-5 #m^3
+CellNum2OD = Volume*1e6/0.3e-8
+Biomass2OD = 1e12
+tStep2Days = 10/3600/24
+sucs = np.linspace(0,1,6)
+pctC = 0.5
+light = 1.00e-01 #kg/m^3
+co2 = 4e-1
+mu_max = 0.047*24 #2.25e-05# 1/d
+K_m_light = 3.5e-04
+K_m_co2 = 5e-2
+# y= mu_max
+colors = ['#a6cee3','#1f78b4','#b2df8a','#33a02c','#fb9a99','#e31a1c','#fdbf6f','#ff7f00','#cab2d6','#6a3d9a']
+def monod_func(y,t):
+    return y*mu_max * (light/(K_m_light + light)) * (co2/( K_m_co2 + co2))
+
+# f.savefig('Growth_S9.png',dpi=600)
+f, ax = plt.subplots(figsize=(14,9))
+for path,i in zip(types,range(1,len(Run_folders)+1)):
+    df = pd.read_csv(path,usecols=[0,1],names=['Time','Cells'],skiprows=1)
+    df.index = df.Time/60/60/24*10 #convert timesteps (10s) to days
+    df.index.name='Days'
+    df.iloc[:,1] = df.iloc[:,1]/CellNum2OD
+    y0 = df.iloc[0,1]
+    t = np.linspace(df.index[0], df.index[-1],1000)
+    sol = odeint(monod_func, y0, t)
+    ax.plot(df.iloc[:,1],label=f'Sucrose Export {ExportRatio[i-1] :.2f}')
+    # ax.plot(t,sol,ls='--',label=f'monod {i:.2e}')
+ax.set_yscale('log')
+    # ax.set_xlabel('Time (D)')
+    # ax.set_ylabel('Biomass (g)')
+# ax.legend(frameon=False
+ax.legend().remove()
+    # ax.set_title('90% Sucrose Export')
+    # ax.plot(df.Time*tStep2Days,df.Cells/CellNum2OD,label=i)
+    # ax.plot(df.Time*tStep2Days,df.Cells*Biomass2OD,label=i)
+    
+ax.plot(Control.Time,Control.OD,label='Control',c='k')
+ax.plot(IPTG.Time,IPTG.OD,label='+IPTG',c='grey')
+ax.set_xlabel('Time (days)')
+ax.set_ylabel('OD')
+ax.legend()
+#%%
+f, ax = plt.subplots(figsize=(14,9))
+for path,i in zip(Cons,range(1,len(Run_folders)+1)):
+    df = pd.read_csv(path,usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2'],skiprows=1,index_col=0)
+    df.index = df.index*tStep2Days
+    df.index.name='Days'
+    df.O2 = df.O2/O2MW*1e3
+    df.Sucrose = df.Sucrose/SucroseMW*1e3
+    df['CO2'] = df['CO2']/CO2MW*1e3
+    # y0 = df.iloc[0,1]
+    # t = np.linspace(df.index[0], df.index[-1],1000)
+    # sol = odeint(monod_func, y0, t)
+    ax.plot(df.Sucrose,label=f'Sucrose Export {ExportRatio[i-1] :.1f}')
+
+
+    # ax.plot(t,sol,ls='--',label=f'monod {i:.2e}')
+# ax.set_yscale('log')
+    # ax.set_xlabel('Time (D)')
+    # ax.set_ylabel('Biomass (g)')
+# ax.legend(frameon=False
+# ax.legend().remove()
+    # ax.set_title('90% Sucrose Export')
+    # ax.plot(df.Time*tStep2Days,df.Cells/CellNum2OD,label=i)
+    # ax.plot(df.Time*tStep2Days,df.Cells*Biomass2OD,label=i)
+    
+ax.set_title('Sucrose over time')    
+ax.plot(Control.Time,Control.Sucrose,label='Control',c='k')
+ax.plot(IPTG.Time,IPTG.Sucrose,label='+IPTG',c='red')
+ax.set_xlabel('Time (days)')
+ax.set_ylabel('Concentration (mM)')
+ax.legend()
+#%%Carbon mass balance
+viridis = plt.cm.get_cmap('viridis', 256)
+color = viridis(np.linspace(0, 1, 20))
+f, ax = plt.subplots(figsize=(14,9))
+# plt.set_cmap(cmap=plt.get_cmap('viridis'))
+j=0
+for i,path in enumerate(biomass):
+    InitialCarbon = Volume*12/CO2MW*Run_params[i]['Nutrients']['Concentration']['co2'] #kg
+    df = pd.read_csv(path,usecols=[0,2],names=['Time','Biomass'],skiprows=1)
+    df.index = df.Time/60/60/24*10 #convert timesteps (10s) to days
+    df.index.name='Days'
+    # df.iloc[:,1] = df.iloc[:,1]/(df.iloc[0,1]+InitialCarbon)
+    # ax.plot(df.iloc[:,1]*pctC/(df.iloc[0,1]*pctC +InitialCarbon),label=f'K= {i:.2e}',c=color[j])
+    ax.plot((df.iloc[:,1]*pctC - df.iloc[0,1]*pctC)/(InitialCarbon),label=f'Sucrose Export {ExportRatio[i-1] :.1f}')
+    j=j+1
+    # ax.set_yscale('log')
+ax.set_xlabel('Time (days)')
+ax.set_ylabel('BiomassC/C')
+
+ax.legend()
+
+#%%Productivity
+data = pd.DataFrame(columns=['SucroseRatio','Productivity'])
+
+# Suc = pd.DataFrame([],columns=['Time','Sucrose','Induction'])
+for cell_path,path,i in zip(types,Cons,range(1,len(Run_folders)+1)):
+    df = pd.read_csv(cell_path,usecols=[0,1],names=['Time','Cells'],skiprows=1,index_col=0)
+    df.index = df.index*tStep2Days*24
+    df2 = pd.read_csv(path,usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2'],skiprows=1,index_col=0)
+    df2.index = df2.index*tStep2Days*24
+
+    df2.Sucrose = df2.Sucrose*Volume*1e18/df.Cells
+    reg = LinearRegression()
+    reg.fit(df2[:10].index.values.reshape(-1, 1),df2[:10].Sucrose)
+    # Suc = Suc.append(pd.DataFrame(pd.concat([pd.read_csv(path,usecols=[0,3],names=['Time','Sucrose'],skiprows=1),pd.Series(np.ones(len(df))*i,name='Induction')],axis=1),columns=['Time','Sucrose','Induction']),ignore_index=True)
+    # f, axes = plt.subplots()
+    # df2.Sucrose.plot(ax=axes)
+    # axes.set_ylabel('Sucrose (fg)')
+    # axes.set_xlabel('Time (hrs)')
+    # axes.set_title(f'Sucrose Export {sucs[i-1] :.1f}')
+    data = data.append(pd.DataFrame([[ExportRatio[i-1],reg.coef_[0]]],columns=['SucroseRatio','Productivity']),ignore_index=True)
+data.index = data.SucroseRatio
+data.drop('SucroseRatio',axis=1,inplace=True)
+f, ax = plt.subplots()
+data.plot(ax=ax)
+ax.set_ylabel('Sucrose Productivity (fg/cell/hr)')
+ax.legend().remove()
+#%% Nutrients
+for path,i in zip(Cons,range(1,len(Run_folders)+1)):
+    df = pd.read_csv(path,usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2'],skiprows=1,index_col=0)
+    df.index = df.index*tStep2Days
+    df.O2 = df.O2/O2MW*1e3
+    df.Sucrose = df.Sucrose/SucroseMW*1e3
+    df['CO2'] = df['CO2']/CO2MW*1e3
+    # Suc = Suc.append(pd.DataFrame(pd.concat([pd.read_csv(path,usecols=[0,3],names=['Time','Sucrose'],skiprows=1),pd.Series(np.ones(len(df))*i,name='Induction')],axis=1),columns=['Time','Sucrose','Induction']),ignore_index=True)
+    f, axes = plt.subplots()
+    df.plot(ax=axes)
+    axes.set_ylabel('Concentration (mM)')
+    axes.set_xlabel('Time (days)')
+    axes.set_title(f'Sucrose Export {ExportRatio[i-1] :.1f}')
+    #%%
+f, ax = plt.subplots()
+df = pd.read_csv(biomass[-1],usecols=[0,1],names=['Time','Cells'],skiprows=1,index_col=0)
+df.index = df.index*tStep2Days*24
+df2 = pd.read_csv(Cons[-1],usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2'],skiprows=1,index_col=0)
+df2.index = df2.index*tStep2Days*24
+df2.CO2 = df2.CO2*Volume
+df2.Sucrose = df2.Sucrose*Volume
+# df2.Sucrose.plot(ax=ax,label = 'Sucrose')
+# df.plot(ax=ax,label='Biomass')
+ax.plot((df - df.iloc[0])*.51,label='Biomass')
+ax.plot(df2.CO2*12/CO2MW,label='CO2')
+ax.plot(df2.Sucrose*12*12/SucroseMW,label='Sucrose')
+ax.plot(df.index, df2.CO2*12/CO2MW + df.Cells*.51 + df2.Sucrose*12*12/SucroseMW,label='Total')
+ax.set_ylabel('Carbon Mass (kg)')
+ax.set_xlabel('Time (hrs)')
+ax.legend(frameon=False)
+# f.savefig('CO2vsBiomass.png',dpi=600) 
+#%% Relative biomass production
+RelativeBiomass = pd.DataFrame(columns=['Export Ratio','Cell','Sucrose','Total'])
+for cell_path,path,i in zip(biomass,Cons,range(len(Run_folders))):
+    df = pd.read_csv(cell_path,usecols=[0,2],names=['Time','Biomass'],skiprows=1)
+    df.index = df.index*tStep2Days*24
+    df.Biomass = df.Biomass/Volume
+    CellMass = df[df.index <= 24].Biomass.iloc[-1]# - df.Biomass.iloc[0]
+    df2 = pd.read_csv(path,usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2'],skiprows=1,index_col=0)
+    df2.index = df2.index*tStep2Days*24
+    # df2.Sucrose = df2.Sucrose*Volume
+    SucMass = df2[df2.index <= 24].iloc[-1].Sucrose# - df2.Sucrose.iloc[0]
+    TotalMass = CellMass + SucMass
+    
+    RelativeBiomass = RelativeBiomass.append(pd.DataFrame([[ExportRatio[i],CellMass,SucMass,TotalMass]],columns=['Export Ratio','Cell','Sucrose','Total']),ignore_index=True)
+RelativeBiomass.index=RelativeBiomass['Export Ratio']
+RelativeBiomass.drop('Export Ratio',axis=1,inplace=True)
+TotalBiomass = RelativeBiomass.copy()
+RelativeBiomass = RelativeBiomass.div(RelativeBiomass.Total,axis=0)
+LineThickness = 2
+FontSize = 10
+f, axes = plt.subplots(ncols=3,sharex=True,figsize=(7,4),constrained_layout=True)
+width = 1/len(Run_folders)
+axs = axes.ravel()
+labels = RelativeBiomass.index
+axs[0].bar(labels,RelativeBiomass.Cell,width,label='Cell Biomass',edgecolor='k',lw=LineThickness,color='#f4a582')
+axs[0].bar(labels,RelativeBiomass.Sucrose,width,bottom=RelativeBiomass.Cell,label='Sucrose Biomass',edgecolor='k',lw=LineThickness,color='#92c5de')
+axs[0].set_ylabel('Relative Biomass')
+# ax[0].set_xlabel('Relative Sucrose Export')
+axs[0].legend(frameon=False,bbox_to_anchor=(0.1,1))
+
+axs[1].bar(labels,TotalBiomass.Cell,width,label='Cell Biomass',edgecolor='k',lw=LineThickness,color='#f4a582')
+axs[1].bar(labels,TotalBiomass.Sucrose,width,bottom=TotalBiomass.Cell,label='Sucrose Biomass',edgecolor='k',lw=LineThickness,color='#92c5de')
+axs[1].set_ylabel('Biomass (mg/ml)')
+axs[1].set_xlabel('Relative Sucrose Export')
+
+axs[2].bar(labels,TotalBiomass.Total/TotalBiomass.Cell,width,label='Ratio',edgecolor='k',lw=LineThickness,color='#bababa')
+axs[2].set_ylabel(r'Total to cell biomass')
+for ax in axs:
+    ax.spines['left'].set_linewidth(LineThickness)
+    ax.spines['left'].set_color('black')
+    ax.spines['bottom'].set_linewidth(LineThickness)
+    ax.spines['bottom'].set_color('black')
+    ax.spines['top'].set_visible(False)
+    ax.spines['right'].set_visible(False)
+    ax.yaxis.set_tick_params(labelsize=FontSize-2,which='both',left=False)
+    ax.xaxis.set_tick_params(labelsize=FontSize-2,bottom=False)
+    ax.tick_params(axis='both',which='both',length=0)
+    ax.grid(False)
+    ax.set_xticks(labels)
+f.savefig('RelativeSucrose.png',dpi=600)
diff --git a/examples/axenic-cyanobacteria/GrowthCurve.png b/examples/axenic-cyanobacteria/GrowthCurve.png
new file mode 100755
index 000000000..4ac6c1f7f
Binary files /dev/null and b/examples/axenic-cyanobacteria/GrowthCurve.png differ
diff --git a/examples/axenic-cyanobacteria/Inputscript-sucrose.lammps b/examples/axenic-cyanobacteria/Inputscript-sucrose.lammps
new file mode 100755
index 000000000..bae2d23ea
--- /dev/null
+++ b/examples/axenic-cyanobacteria/Inputscript-sucrose.lammps
@@ -0,0 +1,103 @@
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell cd Sucrose_${sucRatio}
+run 35000
+shell cd ..
+clear
+next sucRatio
+jump SELF
diff --git a/examples/axenic-cyanobacteria/Inputscript-var.lammps b/examples/axenic-cyanobacteria/Inputscript-var.lammps
new file mode 100755
index 000000000..5d2a8712d
--- /dev/null
+++ b/examples/axenic-cyanobacteria/Inputscript-var.lammps
@@ -0,0 +1,133 @@
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	pp pp ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+variable wellDepth index 5e-6 2e-5 8e-5
+    variable wellDia index 5e-5 1e-4 1e-3
+    print """
+    wellDepth = ${wellDepth}
+    """
+    print """
+    wellDia = ${wellDia}
+    """
+    read_data_bio atom-var.in
+    change_box all x final 0.0e-4 ${wellDia} units box
+    change_box all y final 0.0e-4 ${wellDia} units box
+    change_box all z final 0.0e-4 ${wellDepth} units box
+    ##############Define initial particle distribution##############
+
+    lattice sc 1e-6 origin 0 0 0
+    region reg block 0 1000 0 1000 0 100
+    variable cyanoCells equal 10 #round(random(1,100,15934))
+    variable cyanoMass equal ${cyanoCells}*1.3e3*4/3*PI*(1.37e-6/2)^3
+
+    create_atoms 1 random ${cyanoCells} 3124 reg
+    create_atoms 2 random 1 56151 reg
+
+
+    set type 1 density 1.3e3
+    set type 1 diameter 1.37e-6
+    set type 1 mass 1.75e-14#${cyanoMass}
+
+    set type 2 density 1.3e3
+    set type 2 diameter 1.55e-6
+    set type 2 mass 5.1e-15
+
+    group CYANO type 1
+    group DEAD type 2
+
+
+
+    neighbor	5e-7 bin
+    neigh_modify	delay 0 one 5000
+
+    ##############Define DEM Variables&Commands##############
+
+    pair_style  gran/hooke/history 1e-4 NULL 1e-5 NULL 0.0 1
+    pair_coeff  * *
+
+    timestep 10
+
+    #fix 1 all nve/limit 1e-12
+    fix fv all viscous 1e-5
+
+    fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  ${wellDepth}
+
+    variable kanc equal 50
+
+    #fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+    variable ke equal 5e+10
+    #fix j1 all epsadh 1 v_ke 1
+
+    ##############Define IBm Variables##############
+
+    #variables used in fix eps_extract
+    variable EPSdens equal 30
+    variable EPSratio equal 1.3
+
+    #variables used in fix division
+    variable divDia equal 1.94e-6
+        #variable used for sucrose export
+        variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9
+
+        #variables used in fix kinetics
+        variable diffT equal 1e-4
+        variable tol equal 1e-6
+        variable etaHET equal 0.6
+        variable layer equal -1
+
+        #variables used in fix death
+        variable deadDia equal 9e-7
+        variable diffZ index 5 20 80
+        variable diffXY index 50 100 1000
+        ##############Define IBm Commands##############
+        print """
+        diffXY = ${diffXY}
+        """
+        print """
+        diffZ = ${diffZ}
+        """
+        fix k1 all kinetics 100 ${diffXY} ${diffXY} ${diffZ} v_diffT v_layer niter 5000
+        fix kgm all kinetics/growth/monod sucexp ${sucRatio} gflag 1
+        fix g1 all kinetics/diffusion v_tol pp pp nn #kg dcflag 2
+        fix d1 all divide 100 v_EPSdens v_divDia 64564
+        fix d2 all death 1 v_deadDia demflag 0
+
+
+        ##############Define IBm Computes##############
+
+        compute myNtypes all ntypes
+        compute myMass all biomass
+        compute myCon all avg_con
+        ##############Simulation Output##############
+
+        dump		id all custom 1000 output.lammps id type diameter x y z
+        dump		du1 all vtk 1000 atom_*.vtu id type diameter x y z
+        dump		du2 all grid 1000 grid_%_*.vti con
+        dump            du3 all bio 1000 ntypes biomass avg_con
+        thermo_style    custom step cpu atoms c_myNtypes[2] c_myNtypes[3]
+        thermo		100
+        thermo_modify	lost ignore
+
+        print """
+        Sucrose Ratio = ${sucRatio}
+        """
+
+        shell mkdir Sucrose_${sucRatio}_Well_${wellDia}_${wellDepth}
+        shell cd Sucrose_${sucRatio}_Well_${wellDia}_${wellDepth}
+
+        run 40000
+        shell cd ..
+        clear
+        next sucRatio
+        jump SELF
+    next wellDia diffXY
+    jump SELF
+next wellDepth diffZ
+jump self
diff --git a/examples/axenic-cyanobacteria/ODvstime.png b/examples/axenic-cyanobacteria/ODvstime.png
new file mode 100755
index 000000000..d633b222d
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diff --git a/examples/axenic-cyanobacteria/Plots.py b/examples/axenic-cyanobacteria/Plots.py
new file mode 100755
index 000000000..520a36d1a
--- /dev/null
+++ b/examples/axenic-cyanobacteria/Plots.py
@@ -0,0 +1,73 @@
+import pandas as pd
+import matplotlib.pyplot as plt
+import numpy as np
+from scipy.integrate import odeint
+from glob import glob
+SucRate = [float(s.split('_')[1]) for s in glob('./Sucrose*')]
+types = ['./Sucrose_%.2f/Results/ntypes.csv'%i for i in SucRate]
+biomass = ['./Sucrose_%.2f/Results/biomass.csv'%i for i in SucRate]
+Cons = ['./Sucrose_%.2f/Results/avg_concentration.csv'%i for i in SucRate]
+ExpPath = 'C:/Users/Jonathan/Documents/sucrose and growth CSCB-SPS.xlsx'
+Control = pd.read_excel(ExpPath,sheet_name='Control')
+IPTG = pd.read_excel(ExpPath,sheet_name='+IPTG')
+SucroseMW = 342.3
+O2MW = 32
+CO2MW = 44.01
+dens = 1e9
+Volume = 1e-4*1e-4*1e-5 #m^3
+CellNum2OD = Volume*1e6/0.3e-9
+Biomass2OD = 1e12
+tStep2Days = 10/3600/24
+InitialCarbon = Volume*1.2e-1 #kg
+light = 1.00e-01 #kg/m^3
+co2 = 4e-1
+mu_max = 0.047*24 #2.25e-05# 1/d
+K_m_light = 3.5e-04
+K_m_co2 = 5e-2
+# y= mu_max
+colors = ['#a6cee3','#1f78b4','#b2df8a','#33a02c','#fb9a99','#e31a1c','#fdbf6f','#ff7f00','#cab2d6','#6a3d9a']
+def monod_func(y,t):
+    return y*mu_max * (light/(K_m_light + light)) * (co2/( K_m_co2 + co2))
+
+# f.savefig('Growth_S9.png',dpi=600)
+f, ax = plt.subplots(figsize=(14,9))
+for path,i,color in zip(types,SucRate,colors):
+    df = pd.read_csv(path,usecols=[0,1],names=['Time','Cells'],skiprows=1)
+    df.index = df.Time/60/60/24*10 #convert timesteps (10s) to days
+    df.index.name='Days'
+    df.iloc[:,1] = df.iloc[:,1]/CellNum2OD
+    y0 = df.iloc[0,1]
+    t = np.linspace(df.index[0], df.index[-1],1000)
+    sol = odeint(monod_func, y0, t)
+    ax.plot(df.iloc[:,1],label='NUFEB_suc' + str(i),c=color)
+    ax.plot(t,sol,c=color,ls='--',label=r'Model_suc' + str(i))
+ax.set_yscale('log')
+    # ax.set_xlabel('Time (D)')
+    # ax.set_ylabel('Biomass (g)')
+# ax.legend(frameon=False
+ax.legend().remove()
+    # ax.set_title('90% Sucrose Export')
+    # ax.plot(df.Time*tStep2Days,df.Cells/CellNum2OD,label=i)
+    # ax.plot(df.Time*tStep2Days,df.Cells*Biomass2OD,label=i)
+    
+ax.plot(Control.Time/24,Control.OD,label='Control',c='k')
+ax.plot(IPTG.Time/24,IPTG.OD,label='Sucrose Export',c='grey')
+ax.set_xlabel('Time (days)')
+ax.set_ylabel('OD')
+ax.legend()
+
+#%%Nutrients
+Suc = pd.DataFrame([],columns=['Time','Sucrose','Induction'])
+for path,i in zip(Cons,SucRate):
+    df = pd.read_csv(path,usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2(l)'],skiprows=1,index_col=0)
+    df.index = df.index*tStep2Days
+    df.O2 = df.O2/O2MW*1e3
+    df.Sucrose = df.Sucrose/SucroseMW*1e3
+    df['CO2(l)'] = df['CO2(l)']/CO2MW*1e3
+    Suc = Suc.append(pd.DataFrame(pd.concat([pd.read_csv(path,usecols=[0,3],names=['Time','Sucrose'],skiprows=1),pd.Series(np.ones(len(df))*i,name='Induction')],axis=1),columns=['Time','Sucrose','Induction']),ignore_index=True)
+    f, axes = plt.subplots()
+    df.plot(ax=axes)
+    axes.set_ylabel('Concentration (mM)')
+    axes.set_xlabel('Time (days)')
+    axes.set_title(f'Sucrose Ratio = {i}')
+Suc.Sucrose = Suc.Sucrose/SucroseMW*1e3
diff --git a/examples/axenic-cyanobacteria/Productivity.png b/examples/axenic-cyanobacteria/Productivity.png
new file mode 100755
index 000000000..5c3e2761c
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diff --git a/examples/axenic-cyanobacteria/README.md b/examples/axenic-cyanobacteria/README.md
new file mode 100755
index 000000000..3476578ae
--- /dev/null
+++ b/examples/axenic-cyanobacteria/README.md
@@ -0,0 +1,30 @@
+# NUFEB validation with axenic cyanobacteria culture
+Simulated growth curve of S. elongatus with varying levels of sucrose export, ranging from 0 to 1. Control and +IPTG are experimental data without and with sucrose export, respectively.
+
+

+

+
+Sucrose produced over time fits nicely to the experimental data bounds.
+
+

+

+
+The productivity as a function of sucrose export varies linearly:
+
+

+

+
+Mass conservation (e.g., sucrose export = 1)
+
+

+

+
+Relative biomass production
+
+

+

+
+Gradient formation with sucrose export = 1
+
+

+

diff --git a/examples/axenic-cyanobacteria/RelativeSucrose.png b/examples/axenic-cyanobacteria/RelativeSucrose.png
new file mode 100755
index 000000000..20ee1ddf2
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diff --git a/examples/axenic-cyanobacteria/Sucrosevstime.png b/examples/axenic-cyanobacteria/Sucrosevstime.png
new file mode 100755
index 000000000..fd65737fa
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diff --git a/examples/axenic-cyanobacteria/Validation.py b/examples/axenic-cyanobacteria/Validation.py
new file mode 100755
index 000000000..a00a58d2a
--- /dev/null
+++ b/examples/axenic-cyanobacteria/Validation.py
@@ -0,0 +1,267 @@
+import pandas as pd
+import matplotlib.pyplot as plt
+import numpy as np
+from scipy.integrate import odeint
+from glob import glob
+import pickle
+from sklearn.linear_model import LinearRegression
+Run_folders = glob('./Sucrose_*/')
+# def read_pkl(n):
+# # read python dict back from the file
+#     pkl_file = open(f"run_{n}.pkl", 'rb')
+#     f = pickle.load(pkl_file)
+#     pkl_file.close()
+#     return f
+# Run_params = [read_pkl(i) for i in range(1,len(Run_folders)+1)]
+ExportRatio = np.linspace(0,1,len(Run_folders))
+# K_s = []
+# for i,run in enumerate(runs,1):
+#     temp = open(f"atom_{i}.in","r").readlines()#
+#     for j in range(len(temp)):
+#         if '     cyano 0.00035 0.0002 0.01' in temp[j]:
+#             # print(temp[j])
+#             K_s.append(float(temp[j].split(' ')[-3]))
+# K_s = [float(open(f"atom_{i}.in","r").readlines()[134].split(' ')[-2]) for i in range(1,20)]
+types = ['./Sucrose_%.1f/Results/ntypes.csv'%i for i in ExportRatio]
+biomass = ['./Sucrose_%.1f/Results/biomass.csv'%i for i in ExportRatio]
+Cons = ['./Sucrose_%.1f/Results/avg_concentration.csv'%i for i in ExportRatio]
+ExpPath = './sucrose and growth CSCB-SPS.xlsx'
+Control = pd.read_excel(ExpPath,sheet_name='Control')
+Control.Time = Control.Time/24
+IPTG = pd.read_excel(ExpPath,sheet_name='+IPTG')
+IPTG.Time = IPTG.Time/24
+SucroseMW = 342.3
+O2MW = 32
+CO2MW = 44.01
+dens = 1e9
+Volume = 1e-4*1e-4*1e-5 #m^3
+CellNum2OD = Volume*1e6/0.3e-8
+Biomass2OD = 1e12
+tStep2Days = 10/3600/24
+sucs = np.linspace(0,1,6)
+pctC = 0.5
+light = 1.00e-01 #kg/m^3
+co2 = 4e-1
+mu_max = 0.047*24 #2.25e-05# 1/d
+K_m_light = 3.5e-04
+K_m_co2 = 5e-2
+# y= mu_max
+colors = ['#a6cee3','#1f78b4','#b2df8a','#33a02c','#fb9a99','#e31a1c','#fdbf6f','#ff7f00','#cab2d6','#6a3d9a']
+def monod_func(y,t):
+    return y*mu_max * (light/(K_m_light + light)) * (co2/( K_m_co2 + co2))
+#%%
+# f.savefig('Growth_S9.png',dpi=600)
+f, ax = plt.subplots(figsize=(9,6))
+for path,i in zip(types,range(1,len(Run_folders)+1)):
+    df = pd.read_csv(path,usecols=[0,1],names=['Time','Cells'],skiprows=1,delimiter='	')
+    df.index = df.Time/60/60/24*10 #convert timesteps (10s) to days
+    df.index.name='Days'
+    df.iloc[:,1] = df.iloc[:,1]/CellNum2OD
+    y0 = df.iloc[0,1]
+    t = np.linspace(df.index[0], df.index[-1],1000)
+    sol = odeint(monod_func, y0, t)
+    ax.plot(df.iloc[:,1],label=f'Sucrose Export {ExportRatio[i-1] :.2f}')
+    # ax.plot(t,sol,ls='--',label=f'monod {i:.2e}')
+ax.set_yscale('log')
+    # ax.set_xlabel('Time (D)')
+    # ax.set_ylabel('Biomass (g)')
+# ax.legend(frameon=False
+ax.legend().remove()
+    # ax.set_title('90% Sucrose Export')
+    # ax.plot(df.Time*tStep2Days,df.Cells/CellNum2OD,label=i)
+    # ax.plot(df.Time*tStep2Days,df.Cells*Biomass2OD,label=i)
+ax.yaxis.set_tick_params(labelsize=FontSize-2,which='both',left=False)
+ax.xaxis.set_tick_params(labelsize=FontSize-2,bottom=False)
+ax.set_xlim([0,2.5])
+ax.plot(Control.Time,Control.OD,label='Control',c='k')
+ax.plot(IPTG.Time,IPTG.OD,label='+IPTG',c='grey')
+ax.set_xlabel('Time (days)',fontsize=FontSize)
+ax.set_ylabel('OD',fontsize=FontSize)
+ax.legend(frameon=False)
+ax.spines['left'].set_linewidth(LineThickness)
+ax.spines['left'].set_color('black')
+ax.spines['bottom'].set_linewidth(LineThickness)
+ax.spines['bottom'].set_color('black')
+ax.spines['top'].set_visible(False)
+ax.spines['right'].set_visible(False)
+f.savefig('GrowthCurve.png',dpi=600)
+#%%
+f, ax = plt.subplots(figsize=(9,6))
+for path,i in zip(Cons,range(1,len(Run_folders)+1)):
+    df = pd.read_csv(path,usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2'],skiprows=1,index_col=0,delimiter='	')
+    df.index = df.index*tStep2Days
+    df.index.name='Days'
+    df.O2 = df.O2/O2MW*1e3
+    df.Sucrose = df.Sucrose/SucroseMW*1e3
+    df['CO2'] = df['CO2']/CO2MW*1e3
+    # y0 = df.iloc[0,1]
+    # t = np.linspace(df.index[0], df.index[-1],1000)
+    # sol = odeint(monod_func, y0, t)
+    ax.plot(df.Sucrose,label=f'Sucrose Export {ExportRatio[i-1] :.1f}')
+    ax.set_xlim([0,2.5])
+    ax.set_ylim(top=25)
+    ax.spines['left'].set_linewidth(LineThickness)
+    ax.spines['left'].set_color('black')
+    ax.spines['bottom'].set_linewidth(LineThickness)
+    ax.spines['bottom'].set_color('black')
+    ax.spines['top'].set_visible(False)
+    ax.spines['right'].set_visible(False)
+    ax.yaxis.set_tick_params(labelsize=FontSize-2,which='both',left=False)
+    ax.xaxis.set_tick_params(labelsize=FontSize-2,bottom=False)
+    # ax.plot(t,sol,ls='--',label=f'monod {i:.2e}')
+# ax.set_yscale('log')
+    # ax.set_xlabel('Time (D)')
+    # ax.set_ylabel('Biomass (g)')
+    
+# ax.legend().remove()
+    # ax.set_title('90% Sucrose Export')
+    # ax.plot(df.Time*tStep2Days,df.Cells/CellNum2OD,label=i)
+    # ax.plot(df.Time*tStep2Days,df.Cells*Biomass2OD,label=i)
+    
+ax.set_title('Sucrose over time',fontsize=FontSize+2)    
+ax.plot(Control.Time,Control.Sucrose,label='Control',c='k')
+ax.plot(IPTG.Time,IPTG.Sucrose,label='+IPTG',c='red')
+ax.set_xlabel('Time (days)',fontsize=FontSize)
+ax.set_ylabel('Concentration (mM)',fontsize=FontSize)
+ax.legend(frameon=False)
+f.savefig('Sucrosevstime.png',dpi=600)
+#%%Carbon mass balance
+# viridis = plt.cm.get_cmap('viridis', 256)
+# color = viridis(np.linspace(0, 1, 20))
+# f, ax = plt.subplots(figsize=(14,9))
+# # plt.set_cmap(cmap=plt.get_cmap('viridis'))
+# j=0
+# for i,path in enumerate(biomass):
+#     # InitialCarbon = Volume*12/CO2MW*Run_params[i]['Nutrients']['Concentration']['co2'] #kg
+#     df = pd.read_csv(path,usecols=[0,2],names=['Time','Biomass'],skiprows=1)
+#     df.index = df.Time/60/60/24*10 #convert timesteps (10s) to days
+#     df.index.name='Days'
+#     # df.iloc[:,1] = df.iloc[:,1]/(df.iloc[0,1]+InitialCarbon)
+#     # ax.plot(df.iloc[:,1]*pctC/(df.iloc[0,1]*pctC +InitialCarbon),label=f'K= {i:.2e}',c=color[j])
+#     ax.plot((df.iloc[:,1]*pctC - df.iloc[0,1]*pctC)/(InitialCarbon),label=f'Sucrose Export {ExportRatio[i-1] :.1f}')
+#     j=j+1
+#     # ax.set_yscale('log')
+# ax.set_xlabel('Time (days)')
+# ax.set_ylabel('BiomassC/C')
+
+# ax.legend()
+
+#%%Productivity
+data = pd.DataFrame(columns=['SucroseRatio','Productivity'])
+
+# Suc = pd.DataFrame([],columns=['Time','Sucrose','Induction'])
+for cell_path,path,i in zip(types,Cons,range(1,len(Run_folders)+1)):
+    df = pd.read_csv(cell_path,usecols=[0,1],names=['Time','Cells'],skiprows=1,index_col=0,delimiter='	')
+    df.index = df.index*tStep2Days*24
+    df2 = pd.read_csv(path,usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2'],skiprows=1,index_col=0,delimiter='	')
+    df2.index = df2.index*tStep2Days*24
+
+    df2.Sucrose = df2.Sucrose*Volume*1e18/df.Cells
+    reg = LinearRegression()
+    reg.fit(df2[:10].index.values.reshape(-1, 1),df2[:10].Sucrose)
+    # Suc = Suc.append(pd.DataFrame(pd.concat([pd.read_csv(path,usecols=[0,3],names=['Time','Sucrose'],skiprows=1),pd.Series(np.ones(len(df))*i,name='Induction')],axis=1),columns=['Time','Sucrose','Induction']),ignore_index=True)
+    # f, axes = plt.subplots()
+    # df2.Sucrose.plot(ax=axes)
+    # axes.set_ylabel('Sucrose (fg)')
+    # axes.set_xlabel('Time (hrs)')
+    # axes.set_title(f'Sucrose Export {sucs[i-1] :.1f}')
+    data = data.append(pd.DataFrame([[ExportRatio[i-1],reg.coef_[0]]],columns=['SucroseRatio','Productivity']),ignore_index=True)
+data.index = data.SucroseRatio
+data.drop('SucroseRatio',axis=1,inplace=True)
+f, ax = plt.subplots()
+ax.scatter(data.reset_index().SucroseRatio,data.reset_index().Productivity,marker='o',edgecolor='k',label='Ratio',lw=LineThickness,color='#bababa')
+ax.set_ylabel('Sucrose Productivity (fg/cell/hr)',fontsize=FontSize)
+ax.set_xlabel('Relative Sucrose Export',fontsize=FontSize)
+ax.legend().remove()
+ax.spines['left'].set_linewidth(LineThickness)
+ax.spines['left'].set_color('black')
+ax.spines['bottom'].set_linewidth(LineThickness)
+ax.spines['bottom'].set_color('black')
+ax.spines['top'].set_visible(False)
+ax.spines['right'].set_visible(False)
+ax.yaxis.set_tick_params(labelsize=FontSize-2,which='both',left=False)
+ax.xaxis.set_tick_params(labelsize=FontSize-2,bottom=False)
+ax.tick_params(axis='both',which='both',length=0)
+ax.grid(False)
+f.savefig('Productivity.png',dpi=600)
+#%% Nutrients
+for path,i in zip(Cons,range(1,len(Run_folders)+1)):
+    df = pd.read_csv(path,usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2'],skiprows=1,index_col=0,delimiter='	')
+    df.index = df.index*tStep2Days
+    df.O2 = df.O2/O2MW*1e3
+    df.Sucrose = df.Sucrose/SucroseMW*1e3
+    df['CO2'] = df['CO2']/CO2MW*1e3
+    # Suc = Suc.append(pd.DataFrame(pd.concat([pd.read_csv(path,usecols=[0,3],names=['Time','Sucrose'],skiprows=1),pd.Series(np.ones(len(df))*i,name='Induction')],axis=1),columns=['Time','Sucrose','Induction']),ignore_index=True)
+    f, axes = plt.subplots()
+    df.plot(ax=axes)
+    axes.set_ylabel('Concentration (mM)')
+    axes.set_xlabel('Time (days)')
+    axes.set_title(f'Sucrose Export {ExportRatio[i-1] :.1f}')
+    #%%
+f, ax = plt.subplots()
+df = pd.read_csv(biomass[-1],usecols=[0,1],names=['Time','Cells'],skiprows=1,index_col=0,delimiter='	')
+df.index = df.index*tStep2Days*24
+df2 = pd.read_csv(Cons[-1],usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2'],skiprows=1,index_col=0,delimiter='	')
+df2.index = df2.index*tStep2Days*24
+df2.CO2 = df2.CO2*Volume
+df2.Sucrose = df2.Sucrose*Volume
+# df2.Sucrose.plot(ax=ax,label = 'Sucrose')
+# df.plot(ax=ax,label='Biomass')
+ax.plot((df - df.iloc[0])*.51,label='Biomass')
+ax.plot(df2.CO2*12/CO2MW,label='CO2')
+ax.plot(df2.Sucrose*12*12/SucroseMW,label='Sucrose')
+ax.plot(df.index, df2.CO2*12/CO2MW + df.Cells*.51 + df2.Sucrose*12*12/SucroseMW,label='Total')
+ax.set_ylabel('Carbon Mass (kg)')
+ax.set_xlabel('Time (hrs)')
+ax.legend(frameon=False)
+f.savefig('CO2vsBiomass.png',dpi=600) 
+#%% Relative biomass production
+RelativeBiomass = pd.DataFrame(columns=['Export Ratio','Cell','Sucrose','Total'])
+for cell_path,path,i in zip(biomass,Cons,range(len(Run_folders))):
+    df = pd.read_csv(cell_path,usecols=[0,1],names=['Time','Biomass'],skiprows=1,delimiter='	')
+    df.index = df.Time*tStep2Days*24
+    df.Biomass = df.Biomass/Volume
+    CellMass = df[df.index <= 24].Biomass.iloc[-1]# - df.Biomass.iloc[0]
+    df2 = pd.read_csv(path,usecols=[0,2,3,4],names=['Time','O2','Sucrose','CO2'],skiprows=1,delimiter='	')
+    df2.index = df2.Time*tStep2Days*24
+    # df2.Sucrose = df2.Sucrose*Volume
+    SucMass = df2[df2.index <= 24].iloc[-1].Sucrose# - df2.Sucrose.iloc[0]
+    TotalMass = CellMass + SucMass
+    
+    RelativeBiomass = RelativeBiomass.append(pd.DataFrame([[ExportRatio[i],CellMass,SucMass,TotalMass]],columns=['Export Ratio','Cell','Sucrose','Total']),ignore_index=True)
+RelativeBiomass.index=RelativeBiomass['Export Ratio']
+RelativeBiomass.drop('Export Ratio',axis=1,inplace=True)
+TotalBiomass = RelativeBiomass.copy()
+RelativeBiomass = RelativeBiomass.div(RelativeBiomass.Total,axis=0)
+LineThickness = 2
+FontSize = 14
+f, axes = plt.subplots(ncols=3,sharex=True,figsize=(10,4),constrained_layout=True)
+width = 1/len(Run_folders)
+axs = axes.ravel()
+labels = RelativeBiomass.index
+axs[0].bar(labels,RelativeBiomass.Cell,width,label='Cell Biomass',edgecolor='k',lw=LineThickness,color='#f4a582')
+axs[0].bar(labels,RelativeBiomass.Sucrose,width,bottom=RelativeBiomass.Cell,label='Sucrose Biomass',edgecolor='k',lw=LineThickness,color='#92c5de')
+axs[0].set_ylabel('Relative Biomass',fontsize=FontSize)
+# ax[0].set_xlabel('Relative Sucrose Export')
+axs[0].legend(frameon=False,bbox_to_anchor=(0.1,1),fontsize=FontSize-2)
+
+axs[1].bar(labels,TotalBiomass.Cell,width,label='Cell Biomass',edgecolor='k',lw=LineThickness,color='#f4a582')
+axs[1].bar(labels,TotalBiomass.Sucrose,width,bottom=TotalBiomass.Cell,label='Sucrose Biomass',edgecolor='k',lw=LineThickness,color='#92c5de')
+axs[1].set_ylabel('Biomass (mg/ml)',fontsize=FontSize)
+axs[1].set_xlabel('Relative Sucrose Export',fontsize=FontSize)
+
+axs[2].scatter(labels,TotalBiomass.Total/TotalBiomass.Cell,marker='o',edgecolor='k',label='Ratio',lw=LineThickness,color='#bababa')
+axs[2].set_ylabel(r'Total to cell biomass',fontsize=FontSize)
+for ax in axs:
+    ax.spines['left'].set_linewidth(LineThickness)
+    ax.spines['left'].set_color('black')
+    ax.spines['bottom'].set_linewidth(LineThickness)
+    ax.spines['bottom'].set_color('black')
+    ax.spines['top'].set_visible(False)
+    ax.spines['right'].set_visible(False)
+    ax.yaxis.set_tick_params(labelsize=FontSize-2,which='both',left=False)
+    ax.xaxis.set_tick_params(labelsize=FontSize-2,bottom=False)
+    ax.tick_params(axis='both',which='both',length=0)
+    ax.grid(False)
+    # ax.set_xticks(labels)
+f.savefig('RelativeSucrose.png',dpi=600)
diff --git a/examples/axenic-cyanobacteria/log.lammps b/examples/axenic-cyanobacteria/log.lammps
new file mode 100755
index 000000000..1d141c47c
--- /dev/null
+++ b/examples/axenic-cyanobacteria/log.lammps
@@ -0,0 +1,5833 @@
+LAMMPS (20 Nov 2019)
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 0.0
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_0.0
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_0.0
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 1486 
+number of iterations: 1370 
+number of iterations: 1280 
+     360    0.6299545       11           11 1.1173608e-14          0.1  0.015945757        1e-20    43.990354 
+number of iterations: 1201 
+number of iterations: 1131 
+number of iterations: 1062 
+number of iterations: 999 
+     720    1.4157469       15           15 1.1936173e-14          0.1  0.025758558        1e-20    43.976733 
+number of iterations: 938 
+number of iterations: 877 
+number of iterations: 827 
+    1080    1.9485689       16           16 1.254206e-14          0.1  0.033555424        1e-20    43.965918 
+number of iterations: 798 
+number of iterations: 772 
+number of iterations: 748 
+number of iterations: 727 
+    1440    2.5766248       16           16 1.3398018e-14          0.1  0.044570675        1e-20    43.950641 
+number of iterations: 707 
+number of iterations: 689 
+number of iterations: 672 
+number of iterations: 657 
+    1800    3.0805273       16           16 1.4312392e-14          0.1  0.056337983        1e-20    43.934323 
+number of iterations: 642 
+number of iterations: 629 
+number of iterations: 616 
+    2160    3.4552458       16           16 1.5038897e-14          0.1  0.065687731        1e-20    43.921359 
+number of iterations: 605 
+number of iterations: 595 
+number of iterations: 584 
+number of iterations: 574 
+    2520     3.909127       17           17 1.6065257e-14          0.1  0.078896492        1e-20    43.903049 
+number of iterations: 565 
+number of iterations: 557 
+number of iterations: 548 
+    2880    4.2573798       18           18 1.6880738e-14          0.1  0.089391326        1e-20    43.888503 
+number of iterations: 540 
+number of iterations: 533 
+number of iterations: 525 
+number of iterations: 518 
+    3240    4.7876229       18           18 1.8032797e-14          0.1   0.10421785        1e-20    43.867956 
+number of iterations: 511 
+number of iterations: 505 
+number of iterations: 498 
+number of iterations: 492 
+    3600    5.1533892       18           18 1.9263482e-14          0.1   0.12005645        1e-20    43.846008 
+number of iterations: 487 
+number of iterations: 481 
+number of iterations: 476 
+    3960    5.4431785       18           18 2.0241307e-14          0.1   0.13264094        1e-20    43.828571 
+number of iterations: 470 
+number of iterations: 465 
+number of iterations: 452 
+number of iterations: 448 
+    4320    5.9132198       19           19 2.1622715e-14          0.1    0.1504199        1e-20     43.80394 
+number of iterations: 453 
+number of iterations: 460 
+number of iterations: 456 
+    4680    6.1667202       23           23 2.2720296e-14          0.1   0.16454578        1e-20    43.784374 
+number of iterations: 452 
+number of iterations: 449 
+number of iterations: 447 
+number of iterations: 443 
+    5040    6.5423669       29           29 2.4270888e-14          0.1   0.18450208        1e-20    43.756737 
+number of iterations: 440 
+number of iterations: 436 
+number of iterations: 433 
+number of iterations: 430 
+    5400    6.9999325       31           31 2.5927303e-14          0.1   0.20582067        1e-20    43.727205 
+number of iterations: 427 
+number of iterations: 424 
+number of iterations: 421 
+    5760    7.2641883       31           31 2.7243387e-14          0.1   0.22275919        1e-20    43.703741 
+number of iterations: 418 
+number of iterations: 415 
+number of iterations: 413 
+number of iterations: 411 
+    6120     7.605343       32           32 2.9102666e-14          0.1   0.24668888        1e-20    43.670596 
+number of iterations: 408 
+number of iterations: 406 
+number of iterations: 404 
+    6480    7.9502644       32           32 3.0579934e-14          0.1   0.26570195        1e-20    43.644263 
+number of iterations: 402 
+number of iterations: 400 
+number of iterations: 398 
+number of iterations: 396 
+    6840    8.2698272       35           35 3.2666922e-14          0.1    0.2925629        1e-20    43.607064 
+number of iterations: 394 
+number of iterations: 393 
+number of iterations: 391 
+number of iterations: 389 
+    7200    8.5705052       36           36 3.4896342e-14          0.1   0.32125742        1e-20    43.567336 
+number of iterations: 388 
+number of iterations: 386 
+number of iterations: 385 
+    7560    8.9692899       36           36 3.6667699e-14          0.1   0.34405637        1e-20    43.535776 
+number of iterations: 383 
+number of iterations: 382 
+number of iterations: 381 
+number of iterations: 379 
+    7920    9.3148288       36           36 3.9170159e-14          0.1   0.37626581        1e-20     43.49119 
+number of iterations: 378 
+number of iterations: 377 
+number of iterations: 378 
+    8280    9.5604141       37           37 4.1158458e-14          0.1   0.40185751        1e-20    43.455767 
+number of iterations: 377 
+number of iterations: 376 
+number of iterations: 374 
+number of iterations: 372 
+    8640    9.8783214       43           43 4.3967399e-14          0.1   0.43801151        1e-20     43.40573 
+number of iterations: 371 
+number of iterations: 374 
+number of iterations: 373 
+number of iterations: 372 
+    9000    10.255183       51           51 4.6968042e-14          0.1   0.47663251        1e-20     43.35228 
+number of iterations: 371 
+number of iterations: 370 
+number of iterations: 369 
+    9360    10.507797       55           55 4.9352166e-14          0.1   0.50731837        1e-20    43.309811 
+number of iterations: 369 
+number of iterations: 368 
+number of iterations: 362 
+number of iterations: 361 
+    9720    10.825488       61           61 5.2720302e-14          0.1   0.55066888        1e-20    43.249814 
+number of iterations: 360 
+number of iterations: 360 
+number of iterations: 359 
+   10080    11.128269       61           61 5.5396414e-14          0.1   0.58511273        1e-20    43.202144 
+number of iterations: 358 
+number of iterations: 358 
+number of iterations: 357 
+number of iterations: 356 
+   10440    11.472416       65           65 5.9177053e-14          0.1   0.63377303        1e-20    43.134804 
+number of iterations: 356 
+number of iterations: 355 
+number of iterations: 354 
+number of iterations: 354 
+   10800    11.770466       67           67 6.3215708e-14          0.1   0.68575468        1e-20    43.062871 
+number of iterations: 353 
+number of iterations: 353 
+number of iterations: 352 
+   11160    12.023395       70           70 6.6424572e-14          0.1   0.72705613        1e-20    43.005721 
+number of iterations: 352 
+number of iterations: 351 
+number of iterations: 350 
+number of iterations: 350 
+   11520    12.380865       72           72 7.0957849e-14          0.1   0.78540369        1e-20    42.924986 
+number of iterations: 349 
+number of iterations: 349 
+number of iterations: 348 
+   11880    12.597521       73           73 7.4559709e-14          0.1   0.83176332        1e-20    42.860842 
+number of iterations: 348 
+number of iterations: 348 
+number of iterations: 347 
+number of iterations: 347 
+   12240    12.899408       76           76 7.9648184e-14          0.1   0.89725795        1e-20    42.770225 
+number of iterations: 346 
+number of iterations: 345 
+number of iterations: 345 
+number of iterations: 344 
+   12600    13.297107       79           79 8.5083933e-14          0.1    0.9672223        1e-20    42.673426 
+number of iterations: 342 
+number of iterations: 340 
+number of iterations: 340 
+   12960     13.54606       90           90 8.940284e-14          0.1     1.022813        1e-20    42.596516 
+number of iterations: 340 
+number of iterations: 339 
+number of iterations: 339 
+number of iterations: 339 
+   13320    13.834183      105          105 9.5504315e-14          0.1    1.1013492        1e-20    42.487868 
+number of iterations: 338 
+number of iterations: 338 
+number of iterations: 338 
+   13680    14.121541      111          111 1.0035217e-13          0.1    1.1637488        1e-20    42.401548 
+number of iterations: 337 
+number of iterations: 337 
+number of iterations: 337 
+number of iterations: 337 
+   14040    14.453688      118          118 1.072009e-13          0.1    1.2519024        1e-20    42.279607 
+number of iterations: 335 
+number of iterations: 335 
+number of iterations: 334 
+number of iterations: 333 
+   14400    14.740712      125          125 1.1451704e-13          0.1    1.3460723        1e-20    42.149352 
+number of iterations: 333 
+number of iterations: 333 
+number of iterations: 333 
+   14760    14.962574      132          132 1.2032998e-13          0.1    1.4208934        1e-20    42.045866 
+number of iterations: 333 
+number of iterations: 332 
+number of iterations: 332 
+number of iterations: 332 
+   15120    15.385987      138          138 1.2854214e-13          0.1    1.5265953        1e-20    41.899673 
+number of iterations: 331 
+number of iterations: 331 
+number of iterations: 331 
+   15480    15.624289      141          141 1.3506701e-13          0.1    1.6105799        1e-20    41.783519 
+number of iterations: 330 
+number of iterations: 330 
+number of iterations: 329 
+number of iterations: 329 
+   15840    15.903928      146          146 1.4428493e-13          0.1    1.7292282        1e-20    41.619429 
+number of iterations: 329 
+number of iterations: 329 
+number of iterations: 329 
+number of iterations: 328 
+   16200    16.256859      156          156 1.5413194e-13          0.1    1.8559739        1e-20    41.444148 
+number of iterations: 328 
+number of iterations: 329 
+number of iterations: 329 
+   16560    16.570951      163          163 1.6195576e-13          0.1    1.9566776        1e-20     41.30489 
+number of iterations: 328 
+number of iterations: 328 
+number of iterations: 328 
+number of iterations: 328 
+   16920    16.861434      174          174 1.7300875e-13          0.1    2.0989446        1e-20    41.108165 
+number of iterations: 328 
+number of iterations: 329 
+number of iterations: 329 
+   17280    17.107658      184          184 1.8179077e-13          0.1    2.2119809        1e-20    40.951862 
+number of iterations: 327 
+number of iterations: 324 
+number of iterations: 324 
+number of iterations: 324 
+   17640    17.575756      208          208 1.9419744e-13          0.1    2.3716717        1e-20    40.731049 
+number of iterations: 324 
+number of iterations: 324 
+number of iterations: 324 
+number of iterations: 324 
+   18000    17.932784      224          224 2.0745083e-13          0.1    2.5422597        1e-20    40.495181 
+number of iterations: 324 
+number of iterations: 325 
+number of iterations: 325 
+   18360    18.163664      240          240 2.1798114e-13          0.1     2.677799        1e-20    40.307779 
+number of iterations: 326 
+number of iterations: 326 
+number of iterations: 326 
+number of iterations: 326 
+   18720    18.549647      255          255 2.328577e-13          0.1    2.8692793        1e-20    40.043041 
+number of iterations: 326 
+number of iterations: 326 
+number of iterations: 325 
+   19080    18.867463      262          262 2.4467768e-13          0.1    3.0214179        1e-20    39.832699 
+number of iterations: 325 
+number of iterations: 325 
+number of iterations: 326 
+number of iterations: 326 
+   19440    19.156912      273          273 2.6137619e-13          0.1      3.23635        1e-20    39.535551 
+number of iterations: 326 
+number of iterations: 326 
+number of iterations: 326 
+number of iterations: 326 
+   19800    19.534303      291          291 2.7921432e-13          0.1    3.4659494        1e-20    39.218135 
+number of iterations: 325 
+number of iterations: 325 
+number of iterations: 325 
+   20160    19.859354      305          305 2.9338739e-13          0.1    3.6483733        1e-20    38.965943 
+number of iterations: 325 
+number of iterations: 325 
+number of iterations: 325 
+number of iterations: 324 
+   20520    20.167078      319          319 3.1341019e-13          0.1    3.9060922        1e-20    38.609664 
+number of iterations: 324 
+number of iterations: 323 
+number of iterations: 321 
+   20880    20.461427      334          334 3.2931905e-13          0.1    4.1108611        1e-20    38.326589 
+number of iterations: 323 
+number of iterations: 322 
+number of iterations: 323 
+number of iterations: 323 
+   21240    20.862868      366          366 3.5179408e-13          0.1    4.4001453        1e-20     37.92669 
+number of iterations: 322 
+number of iterations: 322 
+number of iterations: 322 
+number of iterations: 321 
+   21600    21.172206      394          394 3.7580295e-13          0.1    4.7091718        1e-20     37.49951 
+number of iterations: 321 
+number of iterations: 321 
+number of iterations: 321 
+   21960    21.476731      419          419 3.9487891e-13          0.1    4.9547044        1e-20    37.160109 
+number of iterations: 320 
+number of iterations: 319 
+number of iterations: 319 
+number of iterations: 319 
+   22320    21.861424      451          451 4.2182819e-13          0.1    5.3015776        1e-20     36.68063 
+number of iterations: 319 
+number of iterations: 320 
+number of iterations: 318 
+   22680    22.123459      477          477 4.432404e-13          0.1    5.5771806        1e-20    36.299675 
+number of iterations: 317 
+number of iterations: 317 
+number of iterations: 316 
+number of iterations: 316 
+   23040    22.440622      509          509 4.7349021e-13          0.1    5.9665363        1e-20    35.761492 
+number of iterations: 316 
+number of iterations: 316 
+number of iterations: 316 
+number of iterations: 316 
+   23400    22.862609      539          539 5.0580446e-13          0.1    6.3824669        1e-20    35.186586 
+number of iterations: 316 
+number of iterations: 316 
+number of iterations: 316 
+   23760    23.155193      555          555 5.3147936e-13          0.1    6.7129398        1e-20    34.729808 
+number of iterations: 316 
+number of iterations: 316 
+number of iterations: 315 
+number of iterations: 316 
+   24120    23.491899      582          582 5.6775119e-13          0.1    7.1798112        1e-20    34.084513 
+number of iterations: 315 
+number of iterations: 314 
+number of iterations: 314 
+   24480    23.877134      621          621 5.9657053e-13          0.1    7.5507566        1e-20    33.571812 
+number of iterations: 314 
+number of iterations: 314 
+number of iterations: 314 
+number of iterations: 315 
+   24840     24.28379      660          660 6.3728463e-13          0.1    8.0748034        1e-20    32.847513 
+number of iterations: 314 
+number of iterations: 314 
+number of iterations: 313 
+number of iterations: 313 
+   25200    24.627598      711          711 6.8077734e-13          0.1    8.6346151        1e-20    32.073797 
+number of iterations: 313 
+number of iterations: 312 
+number of iterations: 312 
+   25560    24.957139      748          748 7.1533393e-13          0.1    9.0794075        1e-20    31.459058 
+number of iterations: 310 
+number of iterations: 309 
+number of iterations: 309 
+number of iterations: 309 
+   25920    25.407382      805          805 7.6415325e-13          0.1    9.7077884        1e-20    30.590596 
+number of iterations: 308 
+number of iterations: 309 
+number of iterations: 309 
+   26280    25.692797      840          840 8.0294203e-13          0.1    10.207061        1e-20     29.90058 
+number of iterations: 308 
+number of iterations: 308 
+number of iterations: 308 
+number of iterations: 308 
+   26640    26.098145      902          902 8.5774032e-13          0.1    10.912403        1e-20    28.925781 
+number of iterations: 308 
+number of iterations: 308 
+number of iterations: 308 
+number of iterations: 308 
+   27000    26.497173      972          972 9.1627841e-13          0.1    11.665878        1e-20    27.884479 
+number of iterations: 308 
+number of iterations: 307 
+number of iterations: 308 
+   27360    26.795883     1024         1024 9.6278912e-13          0.1    12.264541        1e-20    27.057139 
+number of iterations: 309 
+number of iterations: 309 
+number of iterations: 308 
+number of iterations: 308 
+   27720    27.327392     1090         1090 1.0284964e-12          0.1    13.110288        1e-20    25.888352 
+number of iterations: 308 
+number of iterations: 308 
+number of iterations: 307 
+   28080    27.656438     1132         1132 1.0807034e-12          0.1    13.782265        1e-20    24.959722 
+number of iterations: 307 
+number of iterations: 307 
+number of iterations: 307 
+number of iterations: 306 
+   28440    28.106727     1212         1212 1.1544579e-12          0.1    14.731589        1e-20    23.647835 
+number of iterations: 306 
+number of iterations: 308 
+number of iterations: 313 
+number of iterations: 319 
+   28800    28.580357     1287         1287 1.2332459e-12          0.1    15.745701        1e-20    22.246444 
+number of iterations: 326 
+number of iterations: 333 
+number of iterations: 339 
+   29160    28.956536     1344         1344 1.295846e-12          0.1     16.55145        1e-20    21.133006 
+number of iterations: 346 
+number of iterations: 352 
+number of iterations: 358 
+number of iterations: 365 
+   29520    29.511472     1426         1426 1.3842832e-12          0.1    17.689763        1e-20    19.560037 
+number of iterations: 372 
+number of iterations: 379 
+number of iterations: 387 
+   29880     29.89774     1511         1511 1.4545499e-12          0.1      18.5942        1e-20    18.310271 
+number of iterations: 396 
+number of iterations: 405 
+number of iterations: 414 
+number of iterations: 424 
+   30240    30.502058     1631         1631 1.553818e-12          0.1    19.871932        1e-20    16.544711 
+number of iterations: 434 
+number of iterations: 444 
+number of iterations: 455 
+number of iterations: 466 
+   30600    30.991366     1746         1746 1.6598608e-12          0.1    21.236865        1e-20    14.658697 
+number of iterations: 479 
+number of iterations: 493 
+number of iterations: 512 
+   30960    31.410101     1834         1834 1.7441156e-12          0.1    22.321352        1e-20     13.16022 
+number of iterations: 533 
+number of iterations: 554 
+number of iterations: 576 
+number of iterations: 600 
+   31320    32.020513     1974         1974 1.8631452e-12          0.1    23.853443        1e-20    11.043323 
+number of iterations: 623 
+number of iterations: 649 
+number of iterations: 678 
+   31680     32.55799     2084         2084 1.9577184e-12          0.1    25.070749        1e-20    9.3614098 
+number of iterations: 709 
+number of iterations: 743 
+number of iterations: 780 
+number of iterations: 823 
+   32040    33.331254     2203         2203 2.089049e-12          0.1     26.78932        1e-20    6.9869832 
+number of iterations: 871 
+number of iterations: 926 
+number of iterations: 1026 
+number of iterations: 1143 
+   32400    34.243822     2340         2340 2.2316169e-12          0.1    28.624413        1e-20    4.4516605 
+number of iterations: 1260 
+number of iterations: 1383 
+number of iterations: 1521 
+   32760    35.136815     2466         2466 2.3426303e-12          0.1    30.081825        1e-20    2.4382034 
+number of iterations: 1686 
+number of iterations: 1918 
+number of iterations: 2470 
+number of iterations: 5174 
+Fix halt 10 condition met on step 33100 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 37.0602 on 12 procs for 33100 steps with 2612 atoms
+
+Performance: 771673746.241 tau/day, 893.141 timesteps/s
+50.4% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.027975   | 0.099541   | 0.28548    |  22.2 |  0.27
+Neigh   | 0.0077627  | 0.038061   | 0.10752    |  14.3 |  0.10
+Comm    | 0.13026    | 0.46917    | 0.80937    |  31.3 |  1.27
+Output  | 2.0015     | 2.0021     | 2.0054     |   0.1 |  5.40
+Modify  | 33.182     | 33.654     | 34.085     |   4.2 | 90.81
+Other   |            | 0.7972     |            |       |  2.15
+
+Nlocal:    217.667 ave 692 max 0 min
+Histogram: 5 0 0 2 3 1 0 0 0 1
+Nghost:    55.1667 ave 108 max 3 min
+Histogram: 2 0 0 2 3 1 1 0 2 1
+Neighs:    758.833 ave 2675 max 0 min
+Histogram: 5 0 1 4 1 0 0 0 0 1
+
+Total # of neighbors = 9106
+Ave neighs/atom = 3.48622
+Neighbor list builds = 716
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 0.1
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_0.1
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_0.1
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 329743 
+number of iterations: 6124 
+number of iterations: 4538 
+     360     48.94083       11           11 1.1162637e-14          0.1  0.018720721  0.002563439     43.98651 
+number of iterations: 3307 
+number of iterations: 2930 
+number of iterations: 2588 
+number of iterations: 2332 
+     720    51.370504       15           15 1.1908846e-14          0.1  0.032438151 0.0061419904    43.967481 
+number of iterations: 2125 
+number of iterations: 1960 
+number of iterations: 1837 
+    1080    52.860722       16           16 1.2501059e-14          0.1  0.043325009 0.0089818658    43.952388 
+number of iterations: 1740 
+number of iterations: 1659 
+number of iterations: 1592 
+number of iterations: 1536 
+    1440    54.481689       16           16 1.333674e-14          0.1  0.058688168  0.012989177    43.931092 
+number of iterations: 1486 
+number of iterations: 1442 
+number of iterations: 1403 
+number of iterations: 1368 
+    1800     55.77905       16           16 1.4228284e-14          0.1  0.075078777  0.017264335    43.908375 
+number of iterations: 1336 
+number of iterations: 1307 
+number of iterations: 1280 
+    2160    56.763075       16           16 1.4935841e-14          0.1  0.088087119  0.020657218    43.890347 
+number of iterations: 1256 
+number of iterations: 1233 
+number of iterations: 1213 
+number of iterations: 1193 
+    2520    57.863014       17           17 1.5934283e-14          0.1   0.10644352  0.025444933    43.864911 
+number of iterations: 1175 
+number of iterations: 1160 
+number of iterations: 1145 
+    2880    58.726034       18           18 1.6726677e-14          0.1   0.12101162  0.029244576    43.844728 
+number of iterations: 1130 
+number of iterations: 1116 
+number of iterations: 1104 
+number of iterations: 1091 
+    3240    59.775728       18           18 1.7844835e-14          0.1   0.14156901  0.034606293    43.816251 
+number of iterations: 1080 
+number of iterations: 1069 
+number of iterations: 1058 
+number of iterations: 1048 
+    3600    60.834527       18           18 1.903774e-14          0.1   0.16350093  0.040326436    43.785871 
+number of iterations: 1039 
+number of iterations: 1030 
+number of iterations: 1021 
+    3960    61.769779       18           18 1.9984466e-14          0.1   0.18090696  0.044866115    43.761763 
+number of iterations: 1013 
+number of iterations: 1005 
+number of iterations: 998 
+number of iterations: 983 
+    4320    62.718136       19           19 2.1320403e-14          0.1   0.20546923   0.05127213    43.727747 
+number of iterations: 976 
+number of iterations: 936 
+number of iterations: 930 
+    4680    63.456419       21           21 2.2380642e-14          0.1   0.22496259  0.056356115    43.700755 
+number of iterations: 923 
+number of iterations: 917 
+number of iterations: 913 
+number of iterations: 908 
+    5040    64.313782       27           27 2.3876761e-14          0.1   0.25246992  0.063530154    43.662675 
+number of iterations: 903 
+number of iterations: 898 
+number of iterations: 893 
+number of iterations: 885 
+    5400    65.169483       31           31 2.5472893e-14          0.1   0.28181665  0.071183769     43.62204 
+number of iterations: 880 
+number of iterations: 875 
+number of iterations: 871 
+    5760    65.842178       31           31 2.6739631e-14          0.1   0.30510723   0.07725791    43.589791 
+number of iterations: 867 
+number of iterations: 862 
+number of iterations: 858 
+number of iterations: 854 
+    6120    66.741858       32           32 2.8527142e-14          0.1   0.33797301  0.085829213    43.544288 
+number of iterations: 851 
+number of iterations: 847 
+number of iterations: 843 
+    6480    67.385696       32           32 2.9945765e-14          0.1   0.36405627  0.092631656    43.508177 
+number of iterations: 840 
+number of iterations: 836 
+number of iterations: 833 
+number of iterations: 830 
+    6840    68.275921       34           34 3.1947602e-14          0.1    0.4008631   0.10223068    43.457232 
+number of iterations: 827 
+number of iterations: 823 
+number of iterations: 820 
+number of iterations: 817 
+    7200    69.130637       36           36 3.408326e-14          0.1   0.44013121   0.11247142    43.402885 
+number of iterations: 815 
+number of iterations: 812 
+number of iterations: 809 
+    7560    69.722827       36           36 3.5778182e-14          0.1   0.47129575   0.12059879    43.359757 
+number of iterations: 807 
+number of iterations: 804 
+number of iterations: 802 
+number of iterations: 799 
+    7920     70.60072       36           36 3.816991e-14          0.1   0.51527261   0.13206742    43.298901 
+number of iterations: 797 
+number of iterations: 795 
+number of iterations: 792 
+    8280     71.21896       36           36 4.0068056e-14          0.1   0.55017408   0.14116928    43.250605 
+number of iterations: 793 
+number of iterations: 791 
+number of iterations: 789 
+number of iterations: 787 
+    8640    71.983911       38           38 4.2746556e-14          0.1   0.59942364     0.154013    43.182459 
+number of iterations: 789 
+number of iterations: 796 
+number of iterations: 794 
+number of iterations: 793 
+    9000    72.754057       49           49 4.5604111e-14          0.1   0.65196551   0.16771534    43.109765 
+number of iterations: 792 
+number of iterations: 790 
+number of iterations: 788 
+    9360    73.467538       52           52 4.7871952e-14          0.1   0.69366442   0.17858997    43.052071 
+number of iterations: 787 
+number of iterations: 782 
+number of iterations: 781 
+number of iterations: 779 
+    9720    74.345928       59           59 5.1072132e-14          0.1   0.75250595   0.19393526    42.970658 
+number of iterations: 779 
+number of iterations: 773 
+number of iterations: 772 
+   10080    74.894412       61           61 5.3611892e-14          0.1   0.79920427   0.20611374    42.906044 
+number of iterations: 770 
+number of iterations: 769 
+number of iterations: 768 
+number of iterations: 766 
+   10440     75.83115       65           65 5.7195781e-14          0.1   0.86510129   0.22329897    42.814871 
+number of iterations: 765 
+number of iterations: 764 
+number of iterations: 763 
+number of iterations: 761 
+   10800    76.674847       66           66 6.1019248e-14          0.1   0.93540391   0.24163304     42.71761 
+number of iterations: 760 
+number of iterations: 759 
+number of iterations: 758 
+   11160    77.202105       67           67 6.4053666e-14          0.1   0.99119863   0.25618353    42.640424 
+number of iterations: 757 
+number of iterations: 756 
+number of iterations: 755 
+number of iterations: 754 
+   11520     78.02845       72           72 6.8335574e-14          0.1    1.0699305   0.27671591    42.531512 
+number of iterations: 754 
+number of iterations: 753 
+number of iterations: 745 
+   11880     78.69568       73           73 7.1733825e-14          0.1    1.1324143   0.29301101    42.445079 
+number of iterations: 745 
+number of iterations: 744 
+number of iterations: 747 
+number of iterations: 746 
+   12240    79.367563       75           75 7.6529142e-14          0.1    1.2205877   0.31600538    42.323114 
+number of iterations: 745 
+number of iterations: 741 
+number of iterations: 740 
+number of iterations: 739 
+   12600    80.075402       76           76 8.164502e-14          0.1    1.3146558   0.34053691    42.193002 
+number of iterations: 739 
+number of iterations: 734 
+number of iterations: 733 
+   12960     80.67152       82           82 8.5705135e-14          0.1    1.3893107   0.36000582    42.089746 
+number of iterations: 732 
+number of iterations: 732 
+number of iterations: 735 
+number of iterations: 740 
+   13320    81.398743       95           95 9.1434417e-14          0.1    1.4946601    0.3874789    41.944039 
+number of iterations: 736 
+number of iterations: 731 
+number of iterations: 733 
+   13680    81.976849      108          108 9.5981347e-14          0.1    1.5782701   0.40928249    41.828402 
+number of iterations: 732 
+number of iterations: 729 
+number of iterations: 729 
+number of iterations: 728 
+   14040     82.69371      114          114 1.0239758e-13          0.1    1.6962522   0.44004974    41.665233 
+number of iterations: 727 
+number of iterations: 726 
+number of iterations: 726 
+number of iterations: 726 
+   14400    83.437905      120          120 1.0924273e-13          0.1    1.8221218   0.47287381    41.491163 
+number of iterations: 725 
+number of iterations: 725 
+number of iterations: 723 
+   14760    84.026718      126          126 1.1467525e-13          0.1    1.9220151   0.49892392    41.353023 
+number of iterations: 718 
+number of iterations: 717 
+number of iterations: 717 
+number of iterations: 716 
+   15120    84.732999      134          134 1.2234115e-13          0.1    2.0629754   0.53568346    41.158098 
+number of iterations: 716 
+number of iterations: 718 
+number of iterations: 717 
+   15480    85.409061      138          138 1.2842503e-13          0.1     2.174845   0.56485689    41.003405 
+number of iterations: 716 
+number of iterations: 715 
+number of iterations: 715 
+number of iterations: 714 
+   15840    86.193224      142          142 1.3701008e-13          0.1     2.332706   0.60602396     40.78512 
+number of iterations: 714 
+number of iterations: 713 
+number of iterations: 713 
+number of iterations: 713 
+   16200    86.868169      147          147 1.4616904e-13          0.1    2.5011207   0.64994308    40.552248 
+number of iterations: 712 
+number of iterations: 712 
+number of iterations: 711 
+   16560    87.483536      156          156 1.5343786e-13          0.1    2.6347796   0.68479854    40.367442 
+number of iterations: 711 
+number of iterations: 710 
+number of iterations: 709 
+number of iterations: 708 
+   16920    88.231959      164          164 1.6369499e-13          0.1    2.8233861   0.73398338    40.106674 
+number of iterations: 704 
+number of iterations: 704 
+number of iterations: 704 
+   17280    89.133348      173          173 1.7183535e-13          0.1    2.9730698    0.7730179    39.899727 
+number of iterations: 704 
+number of iterations: 701 
+number of iterations: 701 
+number of iterations: 702 
+   17640    90.094372      186          186 1.8332233e-13          0.1    3.1842876   0.82809981    39.607711 
+number of iterations: 700 
+number of iterations: 697 
+number of iterations: 698 
+number of iterations: 695 
+   18000    90.968504      209          209 1.955772e-13          0.1     3.409625   0.88686397    39.296178 
+number of iterations: 694 
+number of iterations: 695 
+number of iterations: 695 
+   18360    91.894281      222          222 2.0530303e-13          0.1    3.5884585   0.93350088    39.048944 
+number of iterations: 694 
+number of iterations: 694 
+number of iterations: 692 
+number of iterations: 690 
+   18720    92.818514      242          242 2.1902727e-13          0.1    3.8408165   0.99931117    38.700069 
+number of iterations: 688 
+number of iterations: 688 
+number of iterations: 688 
+   19080    93.626273      253          253 2.2991925e-13          0.1    4.0410949    1.0515401    38.423197 
+number of iterations: 686 
+number of iterations: 685 
+number of iterations: 685 
+number of iterations: 685 
+   19440     94.63798      263          263 2.4528906e-13          0.1    4.3237113    1.1252412    38.032504 
+number of iterations: 684 
+number of iterations: 684 
+number of iterations: 684 
+number of iterations: 683 
+   19800    95.691939      273          273 2.6168632e-13          0.1    4.6252233    1.2038692    37.615701 
+number of iterations: 683 
+number of iterations: 682 
+number of iterations: 681 
+   20160     96.40769      280          280 2.7469968e-13          0.1    4.8645129    1.2662709    37.284919 
+number of iterations: 680 
+number of iterations: 678 
+number of iterations: 676 
+number of iterations: 670 
+   20520     97.39679      305          305  2.93063e-13          0.1    5.2021756    1.3543264    36.818161 
+number of iterations: 670 
+number of iterations: 670 
+number of iterations: 670 
+   20880    98.198872      311          311 3.0763669e-13          0.1    5.4701542    1.4242098    36.447736 
+number of iterations: 670 
+number of iterations: 670 
+number of iterations: 668 
+number of iterations: 666 
+   21240    99.094446      331          331 3.2820181e-13          0.1     5.848302    1.5228231    35.925034 
+number of iterations: 667 
+number of iterations: 667 
+number of iterations: 666 
+number of iterations: 664 
+   21600    99.795291      364          364 3.5014168e-13          0.1    6.2517276    1.6280286    35.367401 
+number of iterations: 664 
+number of iterations: 663 
+number of iterations: 663 
+   21960    100.33902      383          383 3.6755381e-13          0.1     6.571896    1.7115224    34.924861 
+number of iterations: 661 
+number of iterations: 662 
+number of iterations: 660 
+number of iterations: 659 
+   22320    101.12908      416          416 3.9212431e-13          0.1    7.0236914    1.8293418    34.300397 
+number of iterations: 660 
+number of iterations: 660 
+number of iterations: 658 
+   22680    101.73841      441          441 4.1162419e-13          0.1    7.3822482    1.9228466    33.804813 
+number of iterations: 657 
+number of iterations: 656 
+number of iterations: 654 
+number of iterations: 654 
+   23040    102.48606      471          471 4.3914074e-13          0.1      7.88821    2.0547921    33.105505 
+number of iterations: 651 
+number of iterations: 649 
+number of iterations: 649 
+number of iterations: 648 
+   23400    103.31406      505          505 4.6849672e-13          0.1    8.4279965    2.1955581    32.359461 
+number of iterations: 649 
+number of iterations: 650 
+number of iterations: 650 
+   23760    104.04874      527          527 4.9179451e-13          0.1    8.8563883    2.3072741    31.767387 
+number of iterations: 648 
+number of iterations: 647 
+number of iterations: 648 
+number of iterations: 648 
+   24120    105.03082      553          553 5.2467032e-13          0.1    9.4609006    2.4649184    30.931909 
+number of iterations: 646 
+number of iterations: 644 
+number of iterations: 645 
+   24480    105.75448      569          569 5.5076155e-13          0.1    9.9406594    2.5900296    30.268859 
+number of iterations: 643 
+number of iterations: 640 
+number of iterations: 640 
+number of iterations: 640 
+   24840    106.74343      610          610 5.8757922e-13          0.1    10.617656    2.7665759    29.333231 
+number of iterations: 639 
+number of iterations: 639 
+number of iterations: 638 
+number of iterations: 638 
+   25200    107.68368      650          650 6.2685809e-13          0.1    11.339909    2.9549239    28.335072 
+number of iterations: 638 
+number of iterations: 639 
+number of iterations: 634 
+   25560    108.45165      683          683 6.5803098e-13          0.1    11.913109    3.1044024    27.542918 
+number of iterations: 633 
+number of iterations: 635 
+number of iterations: 636 
+number of iterations: 635 
+   25920      109.451      731          731 7.0201945e-13          0.1    12.721968    3.3153343    26.425103 
+number of iterations: 634 
+number of iterations: 631 
+number of iterations: 629 
+   26280    110.23942      776          776 7.3693001e-13          0.1    13.363903    3.4827363    25.537982 
+number of iterations: 629 
+number of iterations: 628 
+number of iterations: 624 
+number of iterations: 625 
+   26640    111.28698      825          825 7.8619274e-13          0.1     14.26974    3.7189588    24.286184 
+number of iterations: 623 
+number of iterations: 623 
+number of iterations: 623 
+number of iterations: 620 
+   27000    112.27397      888          888 8.387486e-13          0.1     15.23613    3.9709725    22.950727 
+number of iterations: 619 
+number of iterations: 618 
+number of iterations: 618 
+   27360    113.10227      931          931 8.804585e-13          0.1    16.003089    4.1709783    21.890884 
+number of iterations: 617 
+number of iterations: 616 
+number of iterations: 612 
+number of iterations: 610 
+   27720    114.06048     1000         1000 9.3931585e-13          0.1    17.085345    4.4532081    20.395361 
+number of iterations: 607 
+number of iterations: 605 
+number of iterations: 603 
+   28080    114.91964     1042         1042 9.8602678e-13          0.1    17.944256    4.6771941    19.208489 
+number of iterations: 603 
+number of iterations: 601 
+number of iterations: 598 
+number of iterations: 596 
+   28440    115.98626     1111         1111 1.0519411e-12          0.1    19.156282    4.9932636    17.533705 
+number of iterations: 594 
+number of iterations: 591 
+number of iterations: 589 
+number of iterations: 588 
+   28800    116.99373     1179         1179 1.1222617e-12          0.1    20.449326    5.3304615    15.747003 
+number of iterations: 586 
+number of iterations: 584 
+number of iterations: 584 
+   29160    117.92325     1235         1235 1.1780702e-12          0.1    21.475526    5.5980717    14.329046 
+number of iterations: 580 
+number of iterations: 580 
+number of iterations: 582 
+number of iterations: 576 
+   29520    118.88518     1304         1304 1.2568221e-12          0.1    22.923606    5.9756991    12.328192 
+number of iterations: 574 
+number of iterations: 589 
+number of iterations: 614 
+   29880    119.50841     1374         1374 1.3193218e-12          0.1    24.072839     6.275394    10.740296 
+number of iterations: 640 
+number of iterations: 667 
+number of iterations: 697 
+number of iterations: 730 
+   30240    120.46039     1454         1454 1.4075158e-12          0.1    25.694536    6.6982964    8.4996516 
+number of iterations: 766 
+number of iterations: 805 
+number of iterations: 846 
+number of iterations: 895 
+   30600    121.47455     1571         1571 1.5016048e-12          0.1    27.424649    7.1494681    6.1092958 
+number of iterations: 953 
+number of iterations: 1067 
+number of iterations: 1184 
+   30960    122.32515     1652         1652 1.5762759e-12          0.1     28.79771    7.5075288    4.2123146 
+number of iterations: 1302 
+number of iterations: 1431 
+number of iterations: 1576 
+number of iterations: 1751 
+   31320    123.85098     1765         1765 1.6816415e-12          0.1    30.735215    8.0127824    1.5356024 
+number of iterations: 2049 
+number of iterations: 2744 
+number of iterations: 8980 
+Fix halt 10 condition met on step 31600 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 126.213 on 12 procs for 31600 steps with 1854 atoms
+
+Performance: 216320859.855 tau/day, 250.371 timesteps/s
+52.8% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.027175   | 0.071658   | 0.18065    |  15.8 |  0.06
+Neigh   | 0.0070047  | 0.025784   | 0.069282   |  11.0 |  0.02
+Comm    | 0.11004    | 0.45538    | 0.84829    |  33.8 |  0.36
+Output  | 2.0879     | 2.0885     | 2.0914     |   0.1 |  1.65
+Modify  | 122.33     | 122.69     | 123.11     |   2.1 | 97.21
+Other   |            | 0.8791     |            |       |  0.70
+
+Nlocal:    154.5 ave 490 max 0 min
+Histogram: 5 0 0 2 3 1 0 0 0 1
+Nghost:    36 ave 66 max 0 min
+Histogram: 2 0 0 1 2 2 2 0 0 3
+Neighs:    471.167 ave 1655 max 0 min
+Histogram: 5 0 1 3 2 0 0 0 0 1
+
+Total # of neighbors = 5654
+Ave neighs/atom = 3.04962
+Neighbor list builds = 642
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 0.2
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_0.2
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_0.2
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 329743 
+number of iterations: 6123 
+number of iterations: 4537 
+     360    49.538044       11           11 1.1151674e-14          0.1  0.021493844 0.0051251987     43.98267 
+number of iterations: 3306 
+number of iterations: 2928 
+number of iterations: 2587 
+number of iterations: 2330 
+     720    51.561261       15           15 1.1881572e-14          0.1  0.039104333  0.012271712    43.958252 
+number of iterations: 2124 
+number of iterations: 1959 
+number of iterations: 1835 
+    1080    52.726809       16           16 1.2460179e-14          0.1  0.053064935  0.017936579    43.938904 
+number of iterations: 1739 
+number of iterations: 1658 
+number of iterations: 1590 
+number of iterations: 1534 
+    1440    54.103255       16           16 1.3275722e-14          0.1  0.072743071  0.025921016    43.911637 
+number of iterations: 1484 
+number of iterations: 1441 
+number of iterations: 1401 
+number of iterations: 1366 
+    1800    55.323197       16           16 1.4144643e-14          0.1  0.093709777  0.034427977    43.882587 
+number of iterations: 1334 
+number of iterations: 1305 
+number of iterations: 1278 
+    2160    56.241426       16           16 1.4833457e-14          0.1   0.11033091  0.041171619     43.85956 
+number of iterations: 1254 
+number of iterations: 1231 
+number of iterations: 1211 
+number of iterations: 1191 
+    2520    57.272396       17           17 1.5804336e-14          0.1   0.13375849  0.050676677    43.827108 
+number of iterations: 1173 
+number of iterations: 1157 
+number of iterations: 1142 
+    2880    58.029155       18           18 1.6573973e-14          0.1   0.15233008  0.058211507    43.801386 
+number of iterations: 1128 
+number of iterations: 1114 
+number of iterations: 1101 
+number of iterations: 1089 
+    3240    59.043765       18           18 1.7658771e-14          0.1   0.17850663  0.068831754    43.765134 
+number of iterations: 1077 
+number of iterations: 1066 
+number of iterations: 1056 
+number of iterations: 1046 
+    3600    59.957908       18           18 1.8814572e-14          0.1   0.20639687  0.080147119    43.726511 
+number of iterations: 1037 
+number of iterations: 1027 
+number of iterations: 1019 
+    3960    60.671711       18           18 1.9730801e-14          0.1   0.22850636  0.089117075    43.695896 
+number of iterations: 1011 
+number of iterations: 1003 
+number of iterations: 995 
+number of iterations: 988 
+    4320    61.495377       18           18 2.102222e-14          0.1   0.25966985   0.10176017    43.652747 
+number of iterations: 973 
+number of iterations: 967 
+number of iterations: 927 
+    4680    62.122652       21           21 2.2045958e-14          0.1   0.28437435   0.11178266    43.618546 
+number of iterations: 920 
+number of iterations: 914 
+number of iterations: 908 
+number of iterations: 904 
+    5040    62.932205       27           27 2.3488908e-14          0.1    0.3191946   0.12590915    43.570349 
+number of iterations: 900 
+number of iterations: 895 
+number of iterations: 890 
+number of iterations: 885 
+    5400    63.668296       29           29 2.5026302e-14          0.1   0.35629467   0.14096023    43.518996 
+number of iterations: 877 
+number of iterations: 872 
+number of iterations: 868 
+    5760    64.255344       31           31 2.6245029e-14          0.1   0.38570496   0.15289158    43.478285 
+number of iterations: 863 
+number of iterations: 859 
+number of iterations: 855 
+number of iterations: 851 
+    6120    65.015266       31           31 2.7962817e-14          0.1    0.4271588   0.16970873    43.420906 
+number of iterations: 847 
+number of iterations: 843 
+number of iterations: 840 
+    6480    65.594591       32           32 2.9324546e-14          0.1   0.46002015   0.18304007    43.375423 
+number of iterations: 836 
+number of iterations: 833 
+number of iterations: 829 
+number of iterations: 826 
+    6840    66.357026       34           34 3.1243894e-14          0.1    0.5063383    0.2018305    43.311325 
+number of iterations: 823 
+number of iterations: 820 
+number of iterations: 817 
+number of iterations: 814 
+    7200    67.135632       36           36 3.3288866e-14          0.1   0.55568915   0.22185086    43.243037 
+number of iterations: 811 
+number of iterations: 808 
+number of iterations: 806 
+    7560    67.637537       36           36 3.4909963e-14          0.1   0.59481102   0.23772148    43.188906 
+number of iterations: 803 
+number of iterations: 800 
+number of iterations: 798 
+number of iterations: 795 
+    7920    68.346882       36           36 3.7194887e-14          0.1   0.64995321     0.260091    43.112612 
+number of iterations: 793 
+number of iterations: 791 
+number of iterations: 788 
+    8280    68.909428       36           36 3.9006199e-14          0.1   0.69366586   0.27782385    43.052135 
+number of iterations: 786 
+number of iterations: 784 
+number of iterations: 785 
+number of iterations: 783 
+    8640    69.665253       37           37 4.1559229e-14          0.1   0.75527831   0.30281813    42.966897 
+number of iterations: 781 
+number of iterations: 779 
+number of iterations: 781 
+number of iterations: 788 
+    9000    70.388963       44           44 4.427936e-14          0.1    0.8209236   0.32944835    42.876085 
+number of iterations: 789 
+number of iterations: 787 
+number of iterations: 786 
+    9360    70.912649       50           50 4.6435671e-14          0.1   0.87296165   0.35055877    42.804102 
+number of iterations: 784 
+number of iterations: 782 
+number of iterations: 781 
+number of iterations: 777 
+    9720     71.68352       56           56 4.9474974e-14          0.1    0.9463093   0.38031382    42.702641 
+number of iterations: 776 
+number of iterations: 774 
+number of iterations: 774 
+   10080    72.324899       60           60  5.18843e-14          0.1    1.0044532   0.40390125    42.622211 
+number of iterations: 768 
+number of iterations: 767 
+number of iterations: 766 
+number of iterations: 764 
+   10440    73.038867       61           61 5.5280226e-14          0.1    1.0864069    0.4371476    42.508847 
+number of iterations: 763 
+number of iterations: 762 
+number of iterations: 761 
+number of iterations: 759 
+   10800    73.744821       65           65 5.8898422e-14          0.1    1.1737251      0.47257     42.38807 
+number of iterations: 758 
+number of iterations: 757 
+number of iterations: 756 
+   11160    74.346325       66           66 6.176665e-14          0.1    1.2429448   0.50065022     42.29233 
+number of iterations: 755 
+number of iterations: 754 
+number of iterations: 753 
+number of iterations: 752 
+   11520    75.060885       69           69 6.5809394e-14          0.1      1.34051   0.54022912    42.157391 
+number of iterations: 751 
+number of iterations: 750 
+number of iterations: 749 
+   11880     75.62735       72           72 6.9014172e-14          0.1    1.4178511   0.57160418    42.050426 
+number of iterations: 748 
+number of iterations: 746 
+number of iterations: 740 
+number of iterations: 739 
+   12240    76.308478       73           73 7.3531281e-14          0.1    1.5268632   0.61582713    41.899662 
+number of iterations: 740 
+number of iterations: 739 
+number of iterations: 739 
+number of iterations: 739 
+   12600     77.02106       76           76 7.8344043e-14          0.1    1.6430127   0.66294488    41.739032 
+number of iterations: 738 
+number of iterations: 737 
+number of iterations: 736 
+   12960    77.564313       76           76 8.2159231e-14          0.1    1.7350876   0.70029623    41.611701 
+number of iterations: 735 
+number of iterations: 732 
+number of iterations: 731 
+number of iterations: 731 
+   13320    78.197913       85           85 8.7536708e-14          0.1    1.8648662    0.7529426    41.432236 
+number of iterations: 729 
+number of iterations: 728 
+number of iterations: 728 
+   13680    78.792815       99           99 9.1799559e-14          0.1     1.967748   0.79467697    41.289967 
+number of iterations: 725 
+number of iterations: 722 
+number of iterations: 720 
+number of iterations: 722 
+   14040    79.493665      110          110 9.7808015e-14          0.1    2.1127575   0.85350098    41.089449 
+number of iterations: 722 
+number of iterations: 721 
+number of iterations: 720 
+number of iterations: 720 
+   14400    80.181957      116          116 1.0420973e-13          0.1    2.2672582   0.91617524    40.875812 
+number of iterations: 719 
+number of iterations: 712 
+number of iterations: 711 
+   14760    80.698385      119          119 1.0928453e-13          0.1     2.389735   0.96585866    40.706459 
+number of iterations: 712 
+number of iterations: 712 
+number of iterations: 710 
+number of iterations: 709 
+   15120    81.319783      127          127 1.1643741e-13          0.1    2.5623641    1.0358869    40.467766 
+number of iterations: 709 
+number of iterations: 708 
+number of iterations: 707 
+   15480    81.847368      133          133 1.2210766e-13          0.1    2.6992099    1.0913996    40.278558 
+number of iterations: 707 
+number of iterations: 707 
+number of iterations: 707 
+number of iterations: 703 
+   15840    82.449533      139          139 1.3009984e-13          0.1    2.8920926    1.1696443    40.011877 
+number of iterations: 703 
+number of iterations: 702 
+number of iterations: 702 
+number of iterations: 701 
+   16200    83.092806      141          141 1.3861512e-13          0.1    3.0975987    1.2530102    39.727751 
+number of iterations: 700 
+number of iterations: 699 
+number of iterations: 699 
+   16560    83.594426      147          147 1.4536537e-13          0.1    3.2605077    1.3190961    39.502524 
+number of iterations: 698 
+number of iterations: 698 
+number of iterations: 698 
+number of iterations: 697 
+   16920    84.309683      157          157 1.5487981e-13          0.1    3.4901268    1.4122436    39.185078 
+number of iterations: 697 
+number of iterations: 696 
+number of iterations: 695 
+   17280    84.836525      164          164 1.6242213e-13          0.1    3.6721509    1.4860837    38.933439 
+number of iterations: 693 
+number of iterations: 688 
+number of iterations: 689 
+number of iterations: 687 
+   17640    85.459818      174          174 1.7305296e-13          0.1    3.9287129    1.5901608    38.578762 
+number of iterations: 687 
+number of iterations: 685 
+number of iterations: 684 
+number of iterations: 685 
+   18000    86.152942      188          188 1.843796e-13          0.1    4.2020679    1.7010501    38.200873 
+number of iterations: 683 
+number of iterations: 684 
+number of iterations: 683 
+   18360    86.645459      205          205 1.9335849e-13          0.1    4.4187636    1.7889549    37.901314 
+number of iterations: 680 
+number of iterations: 684 
+number of iterations: 682 
+number of iterations: 682 
+   18720    87.318375      224          224 2.0601417e-13          0.1    4.7241946    1.9128559    37.479097 
+number of iterations: 681 
+number of iterations: 679 
+number of iterations: 680 
+   19080    87.837712      237          237 2.1604662e-13          0.1    4.9663189    2.0110753    37.144399 
+number of iterations: 678 
+number of iterations: 676 
+number of iterations: 676 
+number of iterations: 675 
+   19440    88.482133      253          253 2.3018727e-13          0.1    5.3075914    2.1495147    36.672654 
+number of iterations: 673 
+number of iterations: 673 
+number of iterations: 673 
+number of iterations: 672 
+   19800    89.205029      263          263 2.4525346e-13          0.1    5.6711988    2.2970151    36.170044 
+number of iterations: 673 
+number of iterations: 670 
+number of iterations: 670 
+   20160     89.67721      271          271 2.5719677e-13          0.1     5.959443    2.4139423    35.771617 
+number of iterations: 670 
+number of iterations: 669 
+number of iterations: 669 
+number of iterations: 668 
+   20520    90.469856      280          280 2.7403078e-13          0.1    6.3657217    2.5787505    35.210045 
+number of iterations: 669 
+number of iterations: 669 
+number of iterations: 668 
+   20880    91.025864      299          299 2.8737549e-13          0.1    6.6877859    2.7093973    34.764886 
+number of iterations: 665 
+number of iterations: 668 
+number of iterations: 666 
+number of iterations: 665 
+   21240    91.691177      311          311 3.0618474e-13          0.1    7.1417336    2.8935432    34.137446 
+number of iterations: 665 
+number of iterations: 663 
+number of iterations: 662 
+number of iterations: 661 
+   21600    92.432942      330          330 3.262251e-13          0.1    7.6253896    3.0897413    33.468956 
+number of iterations: 660 
+number of iterations: 660 
+number of iterations: 661 
+   21960    92.942391      350          350 3.4211155e-13          0.1    8.0087926    3.2452716    32.939042 
+number of iterations: 659 
+number of iterations: 659 
+number of iterations: 658 
+number of iterations: 655 
+   22320    93.685217      381          381 3.6450338e-13          0.1    8.5491973    3.4644903    32.192142 
+number of iterations: 655 
+number of iterations: 653 
+number of iterations: 652 
+   22680    94.190137      400          400 3.822539e-13          0.1    8.9775871      3.63827    31.600068 
+number of iterations: 652 
+number of iterations: 649 
+number of iterations: 649 
+number of iterations: 645 
+   23040    94.875441      436          436 4.0727311e-13          0.1    9.5814034    3.8832116     30.76555 
+number of iterations: 645 
+number of iterations: 645 
+number of iterations: 644 
+number of iterations: 644 
+   23400    95.623418      464          464 4.3392988e-13          0.1    10.224739    4.1441846     29.87643 
+number of iterations: 642 
+number of iterations: 639 
+number of iterations: 639 
+   23760    96.143936      489          489 4.5506131e-13          0.1    10.734725    4.3510638    29.171616 
+number of iterations: 639 
+number of iterations: 638 
+number of iterations: 638 
+number of iterations: 637 
+   24120    96.775406      524          524 4.8484589e-13          0.1    11.453548    4.6426586    28.178199 
+number of iterations: 639 
+number of iterations: 641 
+number of iterations: 641 
+   24480    97.390808      538          538 5.0845681e-13          0.1    12.023376    4.8738127    27.390705 
+number of iterations: 642 
+number of iterations: 642 
+number of iterations: 642 
+number of iterations: 642 
+   24840    98.087425      559          559 5.4173621e-13          0.1    12.826544    5.1996224    26.280757 
+number of iterations: 643 
+number of iterations: 643 
+number of iterations: 642 
+number of iterations: 641 
+   25200    98.826144      597          597 5.7719379e-13          0.1    13.682281    5.5467571     25.09818 
+number of iterations: 640 
+number of iterations: 640 
+number of iterations: 639 
+   25560    99.339997      632          632 6.0530183e-13          0.1    14.360641    5.8219382    24.160741 
+number of iterations: 638 
+number of iterations: 637 
+number of iterations: 636 
+number of iterations: 634 
+   25920    100.04198      669          669 6.4491988e-13          0.1    15.316785    6.2098037    22.839448 
+number of iterations: 631 
+number of iterations: 631 
+number of iterations: 629 
+   26280    100.71615      705          705  6.76326e-13          0.1    16.074743    6.5172736    21.792043 
+number of iterations: 626 
+number of iterations: 626 
+number of iterations: 627 
+number of iterations: 624 
+   26640    101.40443      751          751 7.2059267e-13          0.1    17.143081    6.9506494    20.315758 
+number of iterations: 621 
+number of iterations: 620 
+number of iterations: 620 
+number of iterations: 619 
+   27000    102.14568      810          810 7.6775664e-13          0.1    18.281345    7.4123904    18.742877 
+number of iterations: 616 
+number of iterations: 616 
+number of iterations: 614 
+   27360    102.73967      845          845 8.0514458e-13          0.1    19.183672    7.7784232     17.49604 
+number of iterations: 613 
+number of iterations: 613 
+number of iterations: 612 
+number of iterations: 612 
+   27720    103.48385      903          903 8.5784253e-13          0.1    20.455497    8.2943436    15.738664 
+number of iterations: 611 
+number of iterations: 609 
+number of iterations: 607 
+   28080     104.0859      955          955 8.9961737e-13          0.1    21.463701    8.7033252    14.345577 
+number of iterations: 606 
+number of iterations: 605 
+number of iterations: 603 
+number of iterations: 603 
+   28440    104.97929     1023         1023 9.5849859e-13          0.1    22.884746     9.279779    12.382082 
+number of iterations: 603 
+number of iterations: 603 
+number of iterations: 612 
+number of iterations: 637 
+   28800    105.80456     1086         1086 1.0212335e-12          0.1    24.398801    9.8939615    10.290129 
+number of iterations: 664 
+number of iterations: 693 
+number of iterations: 724 
+   29160    106.48563     1128         1128 1.0709648e-12          0.1    25.599025    10.380836    8.6318307 
+number of iterations: 759 
+number of iterations: 796 
+number of iterations: 837 
+number of iterations: 884 
+   29520    107.42939     1197         1197 1.1410603e-12          0.1    27.290727     11.06708    6.2945409 
+number of iterations: 938 
+number of iterations: 1016 
+number of iterations: 1135 
+   29880    108.35508     1253         1253 1.1966261e-12          0.1    28.631775    11.611078    4.4417833 
+number of iterations: 1251 
+number of iterations: 1373 
+number of iterations: 1508 
+number of iterations: 1667 
+   30240    109.58803     1326         1326 1.2749433e-12          0.1    30.521942    12.377826    1.8304695 
+number of iterations: 1869 
+number of iterations: 2340 
+number of iterations: 3884 
+Fix halt 10 condition met on step 30500 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 111.095 on 12 procs for 30500 steps with 1390 atoms
+
+Performance: 237202402.550 tau/day, 274.540 timesteps/s
+56.7% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.025482   | 0.055511   | 0.12177    |  11.6 |  0.05
+Neigh   | 0.0066001  | 0.019053   | 0.046902   |   8.4 |  0.02
+Comm    | 0.091452   | 0.3226     | 0.62351    |  29.0 |  0.29
+Output  | 1.8828     | 1.8832     | 1.8861     |   0.1 |  1.70
+Modify  | 107.84     | 108.13     | 108.4      |   1.6 | 97.34
+Other   |            | 0.6798     |            |       |  0.61
+
+Nlocal:    115.833 ave 364 max 0 min
+Histogram: 5 0 0 2 3 1 0 0 0 1
+Nghost:    25.5 ave 49 max 0 min
+Histogram: 2 0 0 2 2 1 0 4 0 1
+Neighs:    314.583 ave 1152 max 0 min
+Histogram: 5 0 1 4 1 0 0 0 0 1
+
+Total # of neighbors = 3775
+Ave neighs/atom = 2.71583
+Neighbor list builds = 599
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 0.3
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_0.3
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_0.3
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 329743 
+number of iterations: 6123 
+number of iterations: 4536 
+     360    46.090077       11           11 1.1140717e-14          0.1  0.024265136 0.0076852797    43.978835 
+number of iterations: 3305 
+number of iterations: 2820 
+number of iterations: 2588 
+number of iterations: 2328 
+     720      48.1293       15           15 1.1854352e-14          0.1  0.045757143  0.018389176    43.949045 
+number of iterations: 2122 
+number of iterations: 1957 
+number of iterations: 1834 
+    1080    49.350026       16           16 1.241942e-14          0.1  0.062775233  0.026864167    43.925471 
+number of iterations: 1746 
+number of iterations: 1670 
+number of iterations: 1603 
+number of iterations: 1544 
+    1440    50.711972       16           16 1.3214964e-14          0.1  0.086735384  0.038795635    43.892286 
+number of iterations: 1490 
+number of iterations: 1443 
+number of iterations: 1400 
+number of iterations: 1364 
+    1800    51.938633       16           16 1.4061467e-14          0.1   0.11223105  0.051491261    43.856978 
+number of iterations: 1332 
+number of iterations: 1303 
+number of iterations: 1277 
+    2160    52.746322       16           16 1.4731743e-14          0.1   0.13241935  0.061543829    43.829023 
+number of iterations: 1252 
+number of iterations: 1229 
+number of iterations: 1208 
+number of iterations: 1189 
+    2520    53.796347       17           17 1.5675406e-14          0.1   0.16084226  0.075696502    43.789669 
+number of iterations: 1171 
+number of iterations: 1155 
+number of iterations: 1140 
+    2880    54.560198       18           18 1.6422614e-14          0.1   0.18334788  0.086902724    43.758511 
+number of iterations: 1126 
+number of iterations: 1112 
+number of iterations: 1099 
+number of iterations: 1087 
+    3240    55.526638       18           18 1.7474588e-14          0.1   0.21503296   0.10267959    43.714648 
+number of iterations: 1075 
+number of iterations: 1064 
+number of iterations: 1054 
+number of iterations: 1044 
+    3600    56.480162       18           18 1.8593947e-14          0.1    0.2487481   0.11946707    43.667978 
+number of iterations: 1034 
+number of iterations: 1025 
+number of iterations: 1016 
+    3960    57.180742       18           18 1.9480275e-14          0.1    0.2754446   0.13275967    43.631026 
+number of iterations: 1008 
+number of iterations: 1000 
+number of iterations: 992 
+number of iterations: 985 
+    4320    58.118587       18           18 2.0728112e-14          0.1   0.31303022   0.15147397    43.579004 
+number of iterations: 978 
+number of iterations: 964 
+number of iterations: 957 
+    4680    58.805907       19           19 2.1716171e-14          0.1   0.34279182   0.16629233    43.537815 
+number of iterations: 918 
+number of iterations: 911 
+number of iterations: 905 
+number of iterations: 900 
+    5040    59.600912       23           23 2.3107231e-14          0.1   0.38469149   0.18715443    43.479838 
+number of iterations: 895 
+number of iterations: 892 
+number of iterations: 886 
+number of iterations: 882 
+    5400    60.402598       29           29 2.4587398e-14          0.1   0.42927691   0.20935314    43.418135 
+number of iterations: 877 
+number of iterations: 869 
+number of iterations: 865 
+    5760    61.029804       31           31 2.5759419e-14          0.1   0.46458077   0.22693048    43.369275 
+number of iterations: 860 
+number of iterations: 856 
+number of iterations: 852 
+number of iterations: 848 
+    6120    61.823185       31           31 2.7409475e-14          0.1   0.51428439   0.25167713    43.300489 
+number of iterations: 844 
+number of iterations: 840 
+number of iterations: 836 
+    6480    62.349296       32           32 2.8716017e-14          0.1   0.55364058   0.27127195    43.246027 
+number of iterations: 833 
+number of iterations: 829 
+number of iterations: 826 
+number of iterations: 823 
+    6840    63.204632       32           32 3.0555463e-14          0.1   0.60904921   0.29885896    43.169354 
+number of iterations: 819 
+number of iterations: 816 
+number of iterations: 813 
+number of iterations: 810 
+    7200    64.095024       34           34 3.2512737e-14          0.1    0.6680081   0.32821315    43.087778 
+number of iterations: 807 
+number of iterations: 805 
+number of iterations: 802 
+    7560    64.685758       36           36 3.4062539e-14          0.1   0.71469428   0.35145655    43.023188 
+number of iterations: 799 
+number of iterations: 797 
+number of iterations: 794 
+number of iterations: 792 
+    7920    65.469913       36           36 3.6244463e-14          0.1   0.78042273   0.38418029    42.932257 
+number of iterations: 789 
+number of iterations: 787 
+number of iterations: 785 
+    8280    66.236027       36           36 3.7972148e-14          0.1   0.83246785   0.41009153    42.860258 
+number of iterations: 782 
+number of iterations: 780 
+number of iterations: 778 
+number of iterations: 776 
+    8640    67.011344       36           36 4.0404508e-14          0.1   0.90574097   0.44657126    42.758898 
+number of iterations: 777 
+number of iterations: 775 
+number of iterations: 773 
+number of iterations: 771 
+    9000    67.740025       40           40 4.2992676e-14          0.1    0.9837069   0.48538759    42.651052 
+number of iterations: 778 
+number of iterations: 781 
+number of iterations: 782 
+    9360    68.381639       49           49 4.5042032e-14          0.1    1.0454416     0.516123    42.565663 
+number of iterations: 780 
+number of iterations: 779 
+number of iterations: 777 
+number of iterations: 775 
+    9720    69.186102       52           52 4.7927263e-14          0.1    1.1323562   0.55939457    42.445453 
+number of iterations: 774 
+number of iterations: 772 
+number of iterations: 770 
+   10080    69.862836       56           56 5.0211839e-14          0.1    1.2011763   0.59365766     42.35027 
+number of iterations: 768 
+number of iterations: 768 
+number of iterations: 763 
+number of iterations: 762 
+   10440    70.650678       61           61 5.3428229e-14          0.1    1.2980661   0.64189573    42.216265 
+number of iterations: 760 
+number of iterations: 759 
+number of iterations: 758 
+number of iterations: 757 
+   10800    71.433857       64           64 5.685065e-14          0.1     1.401163   0.69322379    42.073681 
+number of iterations: 755 
+number of iterations: 754 
+number of iterations: 753 
+   11160     72.17526       66           66 5.9560581e-14          0.1     1.482797   0.73386624    41.960785 
+number of iterations: 752 
+number of iterations: 754 
+number of iterations: 753 
+number of iterations: 752 
+   11520     72.93068       67           67 6.3375819e-14          0.1     1.597728   0.79108573    41.801847 
+number of iterations: 751 
+number of iterations: 750 
+number of iterations: 749 
+   11880    73.594248       70           70 6.6396788e-14          0.1    1.6887327   0.83639313       41.676 
+number of iterations: 748 
+number of iterations: 747 
+number of iterations: 746 
+number of iterations: 745 
+   12240    74.231802       72           72 7.0649929e-14          0.1    1.8168549   0.90018009    41.498831 
+number of iterations: 739 
+number of iterations: 737 
+number of iterations: 730 
+number of iterations: 730 
+   12600    75.094888       74           74 7.517551e-14          0.1    1.9531849   0.96805312    41.310314 
+number of iterations: 725 
+number of iterations: 724 
+number of iterations: 722 
+   12960    75.830748       76           76 7.8758942e-14          0.1    2.0611338    1.0217962    41.161045 
+number of iterations: 722 
+number of iterations: 721 
+number of iterations: 720 
+number of iterations: 719 
+   13320    76.586489       78           78 8.3803957e-14          0.1    2.2131116    1.0974596    40.950897 
+number of iterations: 716 
+number of iterations: 716 
+number of iterations: 715 
+   13680    77.237121       87           87 8.7798686e-14          0.1    2.3334517    1.1573715    40.784498 
+number of iterations: 713 
+number of iterations: 712 
+number of iterations: 713 
+number of iterations: 710 
+   14040    78.000075      102          102 9.3422754e-14          0.1    2.5028781    1.2417201    40.550232 
+number of iterations: 707 
+number of iterations: 702 
+number of iterations: 702 
+number of iterations: 696 
+   14400    78.780623      111          111 9.9407081e-14          0.1    2.6831547    1.3314713     40.30097 
+number of iterations: 696 
+number of iterations: 695 
+number of iterations: 699 
+   14760    79.439756      117          117 1.0414557e-13          0.1    2.8259002    1.4025378    40.103606 
+number of iterations: 700 
+number of iterations: 699 
+number of iterations: 699 
+number of iterations: 698 
+   15120    80.234351      121          121 1.1081676e-13          0.1    3.0268693    1.5025906    39.825747 
+number of iterations: 697 
+number of iterations: 695 
+number of iterations: 694 
+   15480    80.771713      127          127 1.1609912e-13          0.1    3.1859993    1.5818139    39.605741 
+number of iterations: 694 
+number of iterations: 693 
+number of iterations: 693 
+number of iterations: 692 
+   15840    81.468157      135          135 1.2353602e-13          0.1    3.4100323    1.6933498    39.296014 
+number of iterations: 692 
+number of iterations: 692 
+number of iterations: 691 
+number of iterations: 691 
+   16200    82.293855      140          140 1.3144929e-13          0.1    3.6484164    1.8120304    38.966452 
+number of iterations: 690 
+number of iterations: 690 
+number of iterations: 690 
+   16560    82.843718      141          141 1.3771515e-13          0.1    3.8371725    1.9060038    38.705505 
+number of iterations: 691 
+number of iterations: 691 
+number of iterations: 689 
+number of iterations: 688 
+   16920    83.577203      147          147 1.4653669e-13          0.1    4.1029182    2.0383064     38.33813 
+number of iterations: 688 
+number of iterations: 687 
+number of iterations: 687 
+   17280    84.127113      156          156 1.5352173e-13          0.1    4.3133403    2.1430658    38.047243 
+number of iterations: 686 
+number of iterations: 686 
+number of iterations: 686 
+number of iterations: 684 
+   17640      84.8479      165          165 1.6335578e-13          0.1    4.6095867    2.2905533    37.637726 
+number of iterations: 677 
+number of iterations: 678 
+number of iterations: 678 
+number of iterations: 675 
+   18000    85.631502      177          177 1.7381976e-13          0.1    4.9248108    2.4474883    37.201983 
+number of iterations: 675 
+number of iterations: 675 
+number of iterations: 674 
+   18360    86.229616      184          184 1.8210532e-13          0.1    5.1744104    2.5717522     36.85696 
+number of iterations: 674 
+number of iterations: 673 
+number of iterations: 673 
+number of iterations: 671 
+   18720    86.921995      207          207 1.9377033e-13          0.1    5.5258164    2.7467004    36.371214 
+number of iterations: 675 
+number of iterations: 672 
+number of iterations: 671 
+   19080    87.553645      220          220 2.0300688e-13          0.1    5.8040654    2.8852275    35.986595 
+number of iterations: 671 
+number of iterations: 670 
+number of iterations: 668 
+number of iterations: 668 
+   19440    88.233121      238          238 2.1601077e-13          0.1    6.1958061    3.0802561    35.445111 
+number of iterations: 665 
+number of iterations: 666 
+number of iterations: 664 
+number of iterations: 664 
+   19800    88.975523      253          253 2.2984763e-13          0.1    6.6126397    3.2877773    34.868953 
+number of iterations: 659 
+number of iterations: 657 
+number of iterations: 657 
+   20160    89.569314      258          258 2.408039e-13          0.1    6.9426957     3.452096    34.412749 
+number of iterations: 658 
+number of iterations: 658 
+number of iterations: 658 
+number of iterations: 657 
+   20520    90.295581      270          270 2.5622892e-13          0.1    7.4073707    3.6834353    33.770488 
+number of iterations: 657 
+number of iterations: 657 
+number of iterations: 656 
+   20880    90.935022      279          279 2.6844271e-13          0.1    7.7753086    3.8666136    33.261943 
+number of iterations: 655 
+number of iterations: 655 
+number of iterations: 654 
+number of iterations: 654 
+   21240    91.700117      296          296 2.8563817e-13          0.1    8.2933172    4.1245048    32.545992 
+number of iterations: 654 
+number of iterations: 656 
+number of iterations: 653 
+number of iterations: 653 
+   21600    92.450202      311          311 3.0393511e-13          0.1    8.8445117    4.3989161    31.784187 
+number of iterations: 652 
+number of iterations: 652 
+number of iterations: 651 
+   21960    93.146202      323          323 3.1842294e-13          0.1    9.2809565    4.6161996    31.180987 
+number of iterations: 650 
+number of iterations: 651 
+number of iterations: 649 
+number of iterations: 648 
+   22320    93.891004      345          345 3.3881994e-13          0.1    9.8954156     4.922107     30.33177 
+number of iterations: 646 
+number of iterations: 646 
+number of iterations: 645 
+   22680    94.510843      369          369 3.5497064e-13          0.1    10.381952    5.1643294    29.659358 
+number of iterations: 643 
+number of iterations: 641 
+number of iterations: 637 
+number of iterations: 638 
+   23040     95.36744      396          396 3.7770875e-13          0.1    11.066936     5.505348    28.712698 
+number of iterations: 638 
+number of iterations: 639 
+number of iterations: 637 
+number of iterations: 637 
+   23400     96.12621      429          429 4.0190338e-13          0.1    11.795797    5.8682104    27.705418 
+number of iterations: 637 
+number of iterations: 637 
+number of iterations: 638 
+   23760    96.718984      452          452 4.2106109e-13          0.1    12.372921    6.1555305     26.90785 
+number of iterations: 636 
+number of iterations: 636 
+number of iterations: 634 
+number of iterations: 634 
+   24120     97.52164      481          481 4.480327e-13          0.1     13.18544    6.5600408    25.784991 
+number of iterations: 632 
+number of iterations: 633 
+number of iterations: 631 
+   24480    98.165475      505          505 4.6938927e-13          0.1    13.828807    6.8803389    24.895904 
+number of iterations: 633 
+number of iterations: 633 
+number of iterations: 631 
+number of iterations: 633 
+   24840    98.946464      537          537 4.9945659e-13          0.1    14.734591    7.3312789    23.644194 
+number of iterations: 632 
+number of iterations: 632 
+number of iterations: 631 
+number of iterations: 630 
+   25200    99.782849      556          556 5.3144989e-13          0.1    15.698393    7.8111039    22.312333 
+number of iterations: 627 
+number of iterations: 628 
+number of iterations: 627 
+   25560    100.33217      575          575 5.5678272e-13          0.1    16.461545     8.191037    21.257762 
+number of iterations: 627 
+number of iterations: 627 
+number of iterations: 626 
+number of iterations: 624 
+   25920    101.03299      614          614 5.924481e-13          0.1    17.535966    8.7259336    19.773083 
+number of iterations: 623 
+number of iterations: 626 
+number of iterations: 626 
+   26280    101.69972      642          642 6.2068853e-13          0.1    18.386712    9.1494732    18.597508 
+number of iterations: 628 
+number of iterations: 626 
+number of iterations: 623 
+number of iterations: 622 
+   26640    102.47144      683          683 6.6044742e-13          0.1    19.584453    9.7457625    16.942477 
+number of iterations: 622 
+number of iterations: 618 
+number of iterations: 617 
+number of iterations: 617 
+   27000     103.2552      734          734 7.0275307e-13          0.1    20.858923    10.380249    15.181461 
+number of iterations: 616 
+number of iterations: 612 
+number of iterations: 613 
+   27360     103.9387      780          780 7.3625136e-13          0.1    21.868074    10.882646    13.787081 
+number of iterations: 609 
+number of iterations: 609 
+number of iterations: 608 
+number of iterations: 607 
+   27720    104.71703      827          827 7.834126e-13          0.1    23.288823    11.589955    11.824024 
+number of iterations: 603 
+number of iterations: 611 
+number of iterations: 634 
+   28080    105.36659      868          868 8.2075558e-13          0.1    24.413793    12.150013    10.269684 
+number of iterations: 661 
+number of iterations: 688 
+number of iterations: 719 
+number of iterations: 752 
+   28440     106.2415      929          929 8.7332956e-13          0.1    25.997596    12.938499    8.0814325 
+number of iterations: 785 
+number of iterations: 824 
+number of iterations: 869 
+number of iterations: 921 
+   28800    107.28803      990          990 9.2927086e-13          0.1    27.682855     13.77749    5.7530786 
+number of iterations: 981 
+number of iterations: 1105 
+number of iterations: 1222 
+   29160    108.19229     1031         1031 9.7356563e-13          0.1    29.017256    14.441811    3.9095279 
+number of iterations: 1343 
+number of iterations: 1475 
+number of iterations: 1626 
+number of iterations: 1812 
+   29520    109.55301     1101         1101 1.0359244e-12          0.1    30.895882    15.377068    1.3141838 
+number of iterations: 2179 
+number of iterations: 3074 
+number of iterations: 20794 
+Fix halt 10 condition met on step 29800 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 113.573 on 12 procs for 29800 steps with 1125 atoms
+
+Performance: 226702763.695 tau/day, 262.387 timesteps/s
+56.7% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.025194   | 0.04889    | 0.097255   |   9.4 |  0.04
+Neigh   | 0.0061352  | 0.015816   | 0.037049   |   7.0 |  0.01
+Comm    | 0.086684   | 0.33872    | 0.68064    |  31.6 |  0.30
+Output  | 1.8354     | 1.8363     | 1.8399     |   0.1 |  1.62
+Modify  | 110.28     | 110.61     | 110.89     |   1.7 | 97.39
+Other   |            | 0.7225     |            |       |  0.64
+
+Nlocal:    93.75 ave 290 max 0 min
+Histogram: 5 0 0 1 3 2 0 0 0 1
+Nghost:    20 ave 35 max 0 min
+Histogram: 2 0 1 1 1 0 2 0 1 4
+Neighs:    231 ave 811 max 0 min
+Histogram: 5 0 1 2 3 0 0 0 0 1
+
+Total # of neighbors = 2772
+Ave neighs/atom = 2.464
+Neighbor list builds = 559
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 0.4
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_0.4
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_0.4
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 329743 
+number of iterations: 6160 
+number of iterations: 4534 
+     360    46.588662       11           11 1.1129768e-14          0.1  0.027034629  0.010243697    43.975003 
+number of iterations: 3304 
+number of iterations: 2819 
+number of iterations: 2586 
+number of iterations: 2327 
+     720    48.872131       15           15 1.1827185e-14          0.1  0.052396608  0.024494434    43.939858 
+number of iterations: 2120 
+number of iterations: 1955 
+number of iterations: 1832 
+    1080    50.200231       16           16 1.2378781e-14          0.1  0.072456106  0.035764791    43.912077 
+number of iterations: 1745 
+number of iterations: 1668 
+number of iterations: 1601 
+number of iterations: 1542 
+    1440    51.596418       16           16 1.3154464e-14          0.1   0.10066588  0.051613463    43.873013 
+number of iterations: 1489 
+number of iterations: 1441 
+number of iterations: 1398 
+number of iterations: 1362 
+    1800     52.86704       16           16 1.3978753e-14          0.1    0.1306442  0.068455079    43.831505 
+number of iterations: 1330 
+number of iterations: 1301 
+number of iterations: 1275 
+    2160    53.855632       16           16 1.4630693e-14          0.1   0.15435488  0.081775248    43.798678 
+number of iterations: 1250 
+number of iterations: 1227 
+number of iterations: 1206 
+number of iterations: 1187 
+    2520    54.932794       17           17 1.5547486e-14          0.1   0.18769854   0.10050671    43.752517 
+number of iterations: 1169 
+number of iterations: 1153 
+number of iterations: 1137 
+    2880    55.770562       17           17 1.6272588e-14          0.1   0.21407047   0.11532153    43.716012 
+number of iterations: 1124 
+number of iterations: 1110 
+number of iterations: 1097 
+number of iterations: 1084 
+    3240    56.864616       18           18 1.7292266e-14          0.1   0.25115591    0.1361548    43.664681 
+number of iterations: 1073 
+number of iterations: 1062 
+number of iterations: 1051 
+number of iterations: 1041 
+    3600    57.807549       18           18 1.8375839e-14          0.1   0.29056572   0.15829354    43.610135 
+number of iterations: 1032 
+number of iterations: 1022 
+number of iterations: 1014 
+    3960    58.568153       18           18 1.923285e-14          0.1   0.32173571   0.17580331    43.566996 
+number of iterations: 1005 
+number of iterations: 997 
+number of iterations: 990 
+number of iterations: 982 
+    4320     59.46899       18           18 2.0438025e-14          0.1   0.36556909   0.20042652    43.506335 
+number of iterations: 975 
+number of iterations: 968 
+number of iterations: 955 
+    4680    60.141405       19           19 2.1391211e-14          0.1   0.40023793   0.21990134    43.458359 
+number of iterations: 948 
+number of iterations: 908 
+number of iterations: 903 
+number of iterations: 897 
+    5040    61.044249       23           23 2.2731634e-14          0.1   0.44899089    0.2472877    43.390904 
+number of iterations: 891 
+number of iterations: 887 
+number of iterations: 883 
+number of iterations: 878 
+    5400    61.927749       28           28 2.4156051e-14          0.1   0.50079992   0.27639029    43.319221 
+number of iterations: 874 
+number of iterations: 869 
+number of iterations: 861 
+    5760    62.523563       30           30 2.5282638e-14          0.1    0.5417772   0.29940796    43.262516 
+number of iterations: 857 
+number of iterations: 853 
+number of iterations: 848 
+number of iterations: 844 
+    6120    63.388897       31           31 2.6866907e-14          0.1   0.59940196   0.33177666    43.182779 
+number of iterations: 840 
+number of iterations: 837 
+number of iterations: 833 
+    6480    64.067183       31           31 2.8119923e-14          0.1   0.64497831   0.35737745    43.119716 
+number of iterations: 829 
+number of iterations: 826 
+number of iterations: 822 
+number of iterations: 819 
+    6840     64.84318       32           32 2.9881983e-14          0.1   0.70907009   0.39337866    43.031039 
+number of iterations: 816 
+number of iterations: 813 
+number of iterations: 810 
+number of iterations: 807 
+    7200    65.576784       34           34 3.1754457e-14          0.1   0.77717874   0.43163584    42.936809 
+number of iterations: 804 
+number of iterations: 801 
+number of iterations: 798 
+    7560    66.255679       36           36 3.3235418e-14          0.1   0.83104769   0.46189396    42.862289 
+number of iterations: 795 
+number of iterations: 793 
+number of iterations: 790 
+number of iterations: 788 
+    7920    67.008009       36           36 3.5318026e-14          0.1   0.90680195   0.50444469      42.7575 
+number of iterations: 785 
+number of iterations: 783 
+number of iterations: 781 
+    8280    67.596117       36           36 3.6965185e-14          0.1   0.96671785   0.53809878     42.67462 
+number of iterations: 778 
+number of iterations: 776 
+number of iterations: 774 
+number of iterations: 772 
+    8640    68.351912       36           36 3.9281508e-14          0.1    1.0509751   0.58542501    42.558074 
+number of iterations: 770 
+number of iterations: 768 
+number of iterations: 769 
+number of iterations: 767 
+    9000    69.084137       38           38 4.1742978e-14          0.1     1.140512   0.63571676    42.434229 
+number of iterations: 766 
+number of iterations: 764 
+number of iterations: 771 
+    9360    69.679368       43           43 4.3689783e-14          0.1    1.2113271    0.6754929    42.336283 
+number of iterations: 773 
+number of iterations: 773 
+number of iterations: 771 
+number of iterations: 770 
+    9720    70.465661       50           50 4.6427486e-14          0.1    1.3109107   0.73142827    42.198559 
+number of iterations: 768 
+number of iterations: 767 
+number of iterations: 765 
+   10080    71.028743       52           52 4.8592766e-14          0.1    1.3896733   0.77566836    42.089633 
+number of iterations: 761 
+number of iterations: 759 
+number of iterations: 758 
+number of iterations: 758 
+   10440    71.738259       60           60 5.1637701e-14          0.1    1.5004322   0.83788086    41.936459 
+number of iterations: 752 
+number of iterations: 751 
+number of iterations: 750 
+number of iterations: 749 
+   10800     72.57251       61           61 5.4873439e-14          0.1    1.6181318   0.90399183     41.77369 
+number of iterations: 747 
+number of iterations: 746 
+number of iterations: 745 
+   11160    73.092072       65           65 5.743262e-14          0.1     1.711222   0.95627976    41.644957 
+number of iterations: 744 
+number of iterations: 743 
+number of iterations: 742 
+number of iterations: 740 
+   11520    73.885625       66           66 6.1031481e-14          0.1    1.8421309      1.02981    41.463932 
+number of iterations: 739 
+number of iterations: 738 
+number of iterations: 737 
+   11880    74.480805       67           67 6.3877861e-14          0.1    1.9456689    1.0879659     41.32076 
+number of iterations: 736 
+number of iterations: 735 
+number of iterations: 734 
+number of iterations: 733 
+   12240    75.225206       71           71 6.7880594e-14          0.1    2.0912696    1.1697481     41.11943 
+number of iterations: 733 
+number of iterations: 732 
+number of iterations: 731 
+number of iterations: 725 
+   12600    75.986682       73           73 7.2134149e-14          0.1    2.2459934    1.2566548     40.90549 
+number of iterations: 723 
+number of iterations: 716 
+number of iterations: 716 
+   12960    76.587951       75           75 7.5498333e-14          0.1    2.3683674    1.3253905    40.736283 
+number of iterations: 715 
+number of iterations: 715 
+number of iterations: 713 
+number of iterations: 712 
+   13320    77.309888       76           76 8.0229233e-14          0.1    2.5404562    1.4220503     40.49834 
+number of iterations: 711 
+number of iterations: 710 
+number of iterations: 707 
+   13680    77.963825       79           79 8.3970955e-14          0.1    2.6765632    1.4984996    40.310153 
+number of iterations: 707 
+number of iterations: 706 
+number of iterations: 705 
+number of iterations: 705 
+   14040    78.681735       90           90 8.9232768e-14          0.1    2.8679681    1.6060076    40.045511 
+number of iterations: 708 
+number of iterations: 713 
+number of iterations: 712 
+number of iterations: 710 
+   14400    79.400342      105          105 9.4824298e-14          0.1    3.0713702     1.720253    39.764286 
+number of iterations: 709 
+number of iterations: 708 
+number of iterations: 703 
+   14760    80.017767      111          111 9.9246703e-14          0.1    3.2322424    1.8106109    39.541867 
+number of iterations: 703 
+number of iterations: 705 
+number of iterations: 705 
+number of iterations: 705 
+   15120    80.658208      117          117 1.0546573e-13          0.1    3.4584695     1.937677    39.229098 
+number of iterations: 703 
+number of iterations: 698 
+number of iterations: 696 
+   15480     81.27897      121          121 1.1038443e-13          0.1    3.6373962    2.0381751    38.981731 
+number of iterations: 697 
+number of iterations: 694 
+number of iterations: 694 
+number of iterations: 693 
+   15840    82.027224      129          129 1.1730137e-13          0.1    3.8890115    2.1795007    38.633879 
+number of iterations: 693 
+number of iterations: 692 
+number of iterations: 692 
+number of iterations: 691 
+   16200    82.687717      135          135 1.2465174e-13          0.1    4.1563924    2.3296817    38.264242 
+number of iterations: 692 
+number of iterations: 691 
+number of iterations: 691 
+   16560    83.337748      140          140 1.3046523e-13          0.1    4.3678678    2.4484616    37.971897 
+number of iterations: 690 
+number of iterations: 690 
+number of iterations: 689 
+number of iterations: 690 
+   16920    84.063337      142          142 1.3864048e-13          0.1    4.6652557    2.6154964    37.560794 
+number of iterations: 689 
+number of iterations: 689 
+number of iterations: 687 
+   17280    84.642648      147          147 1.4510638e-13          0.1    4.9004637    2.7476062    37.235654 
+number of iterations: 686 
+number of iterations: 686 
+number of iterations: 685 
+number of iterations: 685 
+   17640    85.435733      156          156 1.5419908e-13          0.1    5.2312255    2.9333859    36.778435 
+number of iterations: 684 
+number of iterations: 684 
+number of iterations: 683 
+number of iterations: 682 
+   18000    86.133835      164          164 1.6386154e-13          0.1    5.5827124    3.1308066     36.29258 
+number of iterations: 675 
+number of iterations: 678 
+number of iterations: 676 
+   18360    86.703497      173          173 1.7150369e-13          0.1    5.8607083     3.286949    35.908317 
+number of iterations: 674 
+number of iterations: 673 
+number of iterations: 672 
+number of iterations: 671 
+   18720    87.473547      184          184 1.822505e-13          0.1    6.2516419    3.5065249    35.367953 
+number of iterations: 671 
+number of iterations: 672 
+number of iterations: 671 
+   19080     88.01204      201          201 1.9075028e-13          0.1    6.5608374    3.6801907    34.940574 
+number of iterations: 669 
+number of iterations: 668 
+number of iterations: 666 
+number of iterations: 667 
+   19440    88.807216      220          220 2.0270312e-13          0.1    6.9956469    3.9244094    34.339577 
+number of iterations: 667 
+number of iterations: 666 
+number of iterations: 666 
+number of iterations: 665 
+   19800    89.520049      238          238 2.1540496e-13          0.1    7.4577022    4.1839311    33.700934 
+number of iterations: 665 
+number of iterations: 664 
+number of iterations: 663 
+   20160    90.053652      248          248 2.2545098e-13          0.1    7.8231465    4.3891894    33.195835 
+number of iterations: 663 
+number of iterations: 663 
+number of iterations: 662 
+number of iterations: 662 
+   20520    90.905612      258          258 2.3957825e-13          0.1    8.3370489     4.677834    32.485556 
+number of iterations: 662 
+number of iterations: 662 
+number of iterations: 661 
+   20880    91.420095      266          266 2.5075166e-13          0.1    8.7435019    4.9061265    31.923795 
+number of iterations: 661 
+number of iterations: 660 
+number of iterations: 659 
+number of iterations: 659 
+   21240    92.172972      278          278 2.6646432e-13          0.1    9.3150797    5.2271638    31.133827 
+number of iterations: 659 
+number of iterations: 656 
+number of iterations: 656 
+number of iterations: 656 
+   21600      93.0825      294          294 2.8316157e-13          0.1    9.9224751     5.568318     30.29437 
+number of iterations: 657 
+number of iterations: 656 
+number of iterations: 657 
+   21960    93.574072      306          306 2.9636761e-13          0.1    10.402871    5.8381408    29.630444 
+number of iterations: 656 
+number of iterations: 656 
+number of iterations: 656 
+number of iterations: 654 
+   22320    94.375949      320          320 3.1493866e-13          0.1    11.078425    6.2175794    28.696818 
+number of iterations: 652 
+number of iterations: 652 
+number of iterations: 652 
+   22680    94.968549      334          334 3.2962671e-13          0.1    11.612729    6.5176818    27.958411 
+number of iterations: 650 
+number of iterations: 648 
+number of iterations: 648 
+number of iterations: 647 
+   23040     95.69924      364          364 3.5028184e-13          0.1    12.364096     6.939702     26.92004 
+number of iterations: 648 
+number of iterations: 647 
+number of iterations: 645 
+number of iterations: 647 
+   23400    96.441663      389          389 3.7223127e-13          0.1    13.162544    7.3881661    25.816623 
+number of iterations: 646 
+number of iterations: 645 
+number of iterations: 645 
+   23760    97.040323      412          412 3.8959131e-13          0.1    13.794045    7.7428612    24.943932 
+number of iterations: 643 
+number of iterations: 644 
+number of iterations: 643 
+number of iterations: 641 
+   24120    97.787179      444          444 4.1400394e-13          0.1    14.682091    8.2416511    23.716733 
+number of iterations: 641 
+number of iterations: 638 
+number of iterations: 636 
+   24480    98.415598      463          463 4.3331216e-13          0.1    15.384456    8.6361496    22.746141 
+number of iterations: 636 
+number of iterations: 635 
+number of iterations: 633 
+number of iterations: 633 
+   24840    99.181605      497          497 4.6046441e-13          0.1    16.372161    9.1909141    21.381263 
+number of iterations: 633 
+number of iterations: 634 
+number of iterations: 634 
+number of iterations: 632 
+   25200    99.923434      527          527 4.8931807e-13          0.1    17.421762     9.780442     19.93088 
+number of iterations: 631 
+number of iterations: 631 
+number of iterations: 630 
+   25560    100.62924      543          543 5.1213874e-13          0.1    18.251905    10.246707    18.783774 
+number of iterations: 629 
+number of iterations: 629 
+number of iterations: 630 
+number of iterations: 630 
+   25920    101.32391      562          562 5.4423038e-13          0.1    19.419298    10.902392     17.17068 
+number of iterations: 628 
+number of iterations: 626 
+number of iterations: 625 
+   26280    101.92049      589          589 5.6961201e-13          0.1    20.342594     11.42098    15.894896 
+number of iterations: 625 
+number of iterations: 623 
+number of iterations: 623 
+number of iterations: 623 
+   26640    102.80386      632          632 6.0530498e-13          0.1    21.640985    12.150244    14.100848 
+number of iterations: 622 
+number of iterations: 623 
+number of iterations: 622 
+number of iterations: 622 
+   27000     103.6949      666          666 6.4323448e-13          0.1    23.020728    12.925204    12.194429 
+number of iterations: 623 
+number of iterations: 621 
+number of iterations: 619 
+   27360    104.41633      702          702 6.732333e-13          0.1    24.111985    13.538129    10.686656 
+number of iterations: 633 
+number of iterations: 660 
+number of iterations: 687 
+number of iterations: 717 
+   27720    105.31645      751          751 7.1541914e-13          0.1    25.646573    14.400056    8.5663989 
+number of iterations: 749 
+number of iterations: 784 
+number of iterations: 825 
+   28080    106.12243      788          788 7.4878425e-13          0.1     26.86029    15.081762    6.8895158 
+number of iterations: 870 
+number of iterations: 920 
+number of iterations: 977 
+number of iterations: 1095 
+   28440    107.14504      834          834 7.9570366e-13          0.1    28.567075    16.040407    4.5314736 
+number of iterations: 1210 
+number of iterations: 1329 
+number of iterations: 1458 
+number of iterations: 1606 
+   28800    108.40355      892          892 8.4556182e-13          0.1    30.380776    17.059103    2.0258137 
+number of iterations: 1784 
+number of iterations: 2124 
+number of iterations: 2902 
+   29160    109.88541      936          936 8.7646345e-13          0.1    31.815126    17.864731  0.074730856 
+number of iterations: 12259 
+Fix halt 10 condition met on step 29200 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 111.749 on 12 procs for 29200 steps with 938 atoms
+
+Performance: 225763381.865 tau/day, 261.300 timesteps/s
+56.6% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.024612   | 0.045392   | 0.081903   |   7.4 |  0.04
+Neigh   | 0.0055677  | 0.012939   | 0.029786   |   6.0 |  0.01
+Comm    | 0.085646   | 0.31462    | 0.64628    |  31.2 |  0.28
+Output  | 1.7865     | 1.7872     | 1.7901     |   0.1 |  1.60
+Modify  | 108.57     | 108.89     | 109.15     |   1.7 | 97.44
+Other   |            | 0.6964     |            |       |  0.62
+
+Nlocal:    78.1667 ave 242 max 0 min
+Histogram: 5 0 0 1 4 1 0 0 0 1
+Nghost:    16.8333 ave 27 max 0 min
+Histogram: 2 0 1 0 1 1 0 2 2 3
+Neighs:    177.75 ave 617 max 0 min
+Histogram: 5 0 1 4 0 1 0 0 0 1
+
+Total # of neighbors = 2133
+Ave neighs/atom = 2.27399
+Neighbor list builds = 519
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 0.5
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_0.5
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_0.5
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 329743 
+number of iterations: 6159 
+number of iterations: 4533 
+     360    46.447911       11           11 1.1118826e-14          0.1  0.029802284  0.012800426    43.971174 
+number of iterations: 3302 
+number of iterations: 2818 
+number of iterations: 2585 
+number of iterations: 2325 
+     720    48.910627       15           15 1.1800072e-14          0.1  0.059022723  0.030587473    43.930692 
+number of iterations: 2118 
+number of iterations: 1954 
+number of iterations: 1831 
+    1080    50.255539       16           16 1.2338261e-14          0.1  0.082107547  0.044638468    43.898725 
+number of iterations: 1743 
+number of iterations: 1667 
+number of iterations: 1600 
+number of iterations: 1540 
+    1440    51.856115       16           16 1.3094221e-14          0.1   0.11453452   0.06437463    43.853828 
+number of iterations: 1487 
+number of iterations: 1439 
+number of iterations: 1396 
+number of iterations: 1361 
+    1800    53.165034       16           16 1.3896498e-14          0.1   0.14894931  0.085319804    43.806184 
+number of iterations: 1329 
+number of iterations: 1299 
+number of iterations: 1273 
+    2160    54.159766       16           16 1.4530303e-14          0.1   0.17613777   0.10186656    43.768547 
+number of iterations: 1248 
+number of iterations: 1225 
+number of iterations: 1204 
+number of iterations: 1185 
+    2520    55.412316       16           16 1.5420568e-14          0.1   0.21432838    0.1251087    43.715683 
+number of iterations: 1167 
+number of iterations: 1151 
+number of iterations: 1135 
+    2880    56.191511       17           17 1.6123884e-14          0.1   0.24449912   0.14346997    43.673924 
+number of iterations: 1121 
+number of iterations: 1108 
+number of iterations: 1094 
+number of iterations: 1082 
+    3240    57.349295       18           18 1.7111787e-14          0.1   0.28687787   0.16926074    43.615272 
+number of iterations: 1070 
+number of iterations: 1059 
+number of iterations: 1049 
+number of iterations: 1039 
+    3600    58.435253       18           18 1.8160219e-14          0.1   0.33185373    0.1966317     43.55303 
+number of iterations: 1029 
+number of iterations: 1020 
+number of iterations: 1011 
+    3960    59.213746       18           18 1.8988487e-14          0.1   0.36738533   0.21825494    43.503859 
+number of iterations: 1003 
+number of iterations: 995 
+number of iterations: 987 
+number of iterations: 980 
+    4320    60.191995       18           18 2.0151904e-14          0.1   0.41729485   0.24862775    43.434795 
+number of iterations: 973 
+number of iterations: 966 
+number of iterations: 959 
+    4680    61.077697       18           18 2.107101e-14          0.1   0.45672405   0.27262249    43.380237 
+number of iterations: 946 
+number of iterations: 939 
+number of iterations: 900 
+number of iterations: 894 
+    5040    62.040283       21           21 2.2362022e-14          0.1   0.51210832   0.30632635    43.303611 
+number of iterations: 888 
+number of iterations: 883 
+number of iterations: 879 
+number of iterations: 874 
+    5400    62.902534       27           27 2.3732134e-14          0.1    0.5708863   0.34209518    43.222295 
+number of iterations: 870 
+number of iterations: 866 
+number of iterations: 861 
+    5760     63.51403       29           29 2.4814531e-14          0.1   0.61732129   0.37035266    43.158052 
+number of iterations: 854 
+number of iterations: 849 
+number of iterations: 845 
+number of iterations: 841 
+    6120     64.29982       31           31 2.6334907e-14          0.1    0.6825461   0.41004419    43.067814 
+number of iterations: 837 
+number of iterations: 833 
+number of iterations: 829 
+    6480    65.032221       31           31 2.7536013e-14          0.1   0.73407437   0.44140078    42.996529 
+number of iterations: 826 
+number of iterations: 822 
+number of iterations: 819 
+number of iterations: 816 
+    6840    65.768934       32           32 2.9223133e-14          0.1    0.8064528   0.48544541    42.896404 
+number of iterations: 812 
+number of iterations: 809 
+number of iterations: 806 
+number of iterations: 803 
+    7200    66.554249       33           33 3.1013622e-14          0.1   0.88326615   0.53218866    42.790148 
+number of iterations: 800 
+number of iterations: 797 
+number of iterations: 795 
+    7560    67.250441       34           34 3.242812e-14          0.1   0.94395007    0.5691162    42.706208 
+number of iterations: 792 
+number of iterations: 789 
+number of iterations: 786 
+number of iterations: 784 
+    7920    68.008246       36           36 3.4414977e-14          0.1    1.0291916   0.62098653    42.588302 
+number of iterations: 781 
+number of iterations: 779 
+number of iterations: 777 
+    8280    68.601792       36           36 3.5984607e-14          0.1    1.0965331   0.66196447    42.495158 
+number of iterations: 774 
+number of iterations: 772 
+number of iterations: 770 
+number of iterations: 768 
+    8640    69.380149       36           36 3.8189368e-14          0.1    1.1911239   0.71952362    42.364329 
+number of iterations: 766 
+number of iterations: 764 
+number of iterations: 762 
+number of iterations: 760 
+    9000    70.092854       36           36 4.0529214e-14          0.1    1.2915106   0.78060943    42.225487 
+number of iterations: 761 
+number of iterations: 760 
+number of iterations: 758 
+    9360    70.692461       38           38 4.2377708e-14          0.1    1.3708162    0.8288675    42.115807 
+number of iterations: 756 
+number of iterations: 763 
+number of iterations: 766 
+number of iterations: 767 
+    9720    71.385237       49           49 4.4974172e-14          0.1    1.4822148   0.89665321    41.961749 
+number of iterations: 765 
+number of iterations: 764 
+number of iterations: 762 
+   10080    71.951426       51           51 4.7025396e-14          0.1    1.5702211   0.95020446    41.840051 
+number of iterations: 761 
+number of iterations: 760 
+number of iterations: 757 
+number of iterations: 756 
+   10440    72.767053       56           56 4.9906621e-14          0.1    1.6938382    1.0254246     41.66911 
+number of iterations: 754 
+number of iterations: 753 
+number of iterations: 753 
+number of iterations: 748 
+   10800    73.546455       61           61 5.2964378e-14          0.1    1.8250284    1.1052533    41.487701 
+number of iterations: 746 
+number of iterations: 745 
+number of iterations: 744 
+   11160    74.079553       62           62 5.5380026e-14          0.1    1.9286698    1.1683185    41.344387 
+number of iterations: 743 
+number of iterations: 742 
+number of iterations: 741 
+number of iterations: 739 
+   11520    74.882481       65           65 5.8773136e-14          0.1    2.0742489    1.2569023    41.143091 
+number of iterations: 738 
+number of iterations: 737 
+number of iterations: 736 
+   11880    75.456229       66           66 6.1453715e-14          0.1    2.1892582    1.3268842    40.984067 
+number of iterations: 735 
+number of iterations: 734 
+number of iterations: 733 
+number of iterations: 732 
+   12240    76.205188       69           69 6.5218957e-14          0.1    2.3508053    1.4251836    40.760702 
+number of iterations: 735 
+number of iterations: 734 
+number of iterations: 733 
+number of iterations: 732 
+   12600    76.979499       72           72 6.9214894e-14          0.1    2.5222481    1.5295055    40.523661 
+number of iterations: 731 
+number of iterations: 725 
+number of iterations: 723 
+   12960    77.503398       73           73 7.2371711e-14          0.1    2.6576893    1.6119205    40.336399 
+number of iterations: 722 
+number of iterations: 716 
+number of iterations: 715 
+number of iterations: 711 
+   13320    78.270698       75           75 7.6805893e-14          0.1    2.8479358    1.7276839    40.073366 
+number of iterations: 709 
+number of iterations: 708 
+number of iterations: 707 
+   13680    78.873615       76           76 8.0308927e-14          0.1    2.9982322    1.8191378    39.865572 
+number of iterations: 706 
+number of iterations: 706 
+number of iterations: 703 
+number of iterations: 702 
+   14040    79.568421       80           80 8.5229419e-14          0.1    3.2093441    1.9475973    39.573702 
+number of iterations: 701 
+number of iterations: 701 
+number of iterations: 699 
+number of iterations: 698 
+   14400    80.338129       94           94 9.0451387e-14          0.1    3.4333921    2.0839276    39.263958 
+number of iterations: 698 
+number of iterations: 696 
+number of iterations: 693 
+   14760    80.949237      105          105 9.4576776e-14          0.1    3.6103908    2.1916292    39.019265 
+number of iterations: 688 
+number of iterations: 688 
+number of iterations: 683 
+number of iterations: 682 
+   15120    81.615982      111          111 1.0037145e-13          0.1    3.8590102    2.3429107    38.675566 
+number of iterations: 681 
+number of iterations: 688 
+number of iterations: 687 
+   15480    82.305698      117          117 1.0494929e-13          0.1    4.0554236    2.4624247    38.404043 
+number of iterations: 686 
+number of iterations: 685 
+number of iterations: 684 
+number of iterations: 683 
+   15840    83.029948      121          121 1.1137948e-13          0.1    4.3313136    2.6302984    38.022657 
+number of iterations: 683 
+number of iterations: 680 
+number of iterations: 678 
+number of iterations: 678 
+   16200    83.692007      129          129 1.1820365e-13          0.1    4.6241056    2.8084573    37.617917 
+number of iterations: 677 
+number of iterations: 677 
+number of iterations: 676 
+   16560     84.33578      135          135 1.2359479e-13          0.1    4.8554119    2.9492037    37.298176 
+number of iterations: 676 
+number of iterations: 676 
+number of iterations: 676 
+number of iterations: 675 
+   16920     84.99645      140          140 1.3116738e-13          0.1    5.1803137    3.1469015    36.849063 
+number of iterations: 675 
+number of iterations: 674 
+number of iterations: 674 
+   17280    85.659937      141          141 1.3714978e-13          0.1    5.4369877     3.303084    36.494268 
+number of iterations: 675 
+number of iterations: 675 
+number of iterations: 673 
+number of iterations: 672 
+   17640      86.3508      147          147 1.4555289e-13          0.1    5.7975223    3.5224641    35.995915 
+number of iterations: 672 
+number of iterations: 672 
+number of iterations: 671 
+number of iterations: 671 
+   18000    87.045864      156          156 1.5447084e-13          0.1    6.1801489    3.7552858    35.467034 
+number of iterations: 671 
+number of iterations: 670 
+number of iterations: 670 
+   18360     87.65984      163          163 1.6151609e-13          0.1    6.4824286    3.9392168    35.049218 
+number of iterations: 668 
+number of iterations: 663 
+number of iterations: 664 
+number of iterations: 663 
+   18720     88.37066      173          173 1.714121e-13          0.1    6.9070235    4.1975733    34.462347 
+number of iterations: 661 
+number of iterations: 661 
+number of iterations: 662 
+   19080    88.969655      183          183 1.7923002e-13          0.1    7.2424568    4.4016767    33.998721 
+number of iterations: 660 
+number of iterations: 660 
+number of iterations: 658 
+number of iterations: 659 
+   19440    89.689405      198          198 1.9021135e-13          0.1    7.7136132    4.6883668    33.347514 
+number of iterations: 656 
+number of iterations: 659 
+number of iterations: 660 
+number of iterations: 657 
+   19800    90.435958      220          220 2.0186551e-13          0.1    8.2136386    4.9926232    32.656412 
+number of iterations: 656 
+number of iterations: 656 
+number of iterations: 655 
+   20160    91.114266      231          231 2.1107237e-13          0.1    8.6086613    5.2329875    32.110447 
+number of iterations: 653 
+number of iterations: 653 
+number of iterations: 652 
+number of iterations: 650 
+   20520    91.848242      247          247 2.2400467e-13          0.1    9.1635255    5.5706123    31.343574 
+number of iterations: 648 
+number of iterations: 648 
+number of iterations: 648 
+   20880    92.385237      255          255 2.3422126e-13          0.1    9.6018691    5.8373377    30.737752 
+number of iterations: 646 
+number of iterations: 646 
+number of iterations: 646 
+number of iterations: 644 
+   21240    93.124883      266          266 2.4857188e-13          0.1    10.217589    6.2119911    29.886795 
+number of iterations: 643 
+number of iterations: 644 
+number of iterations: 644 
+number of iterations: 644 
+   21600    93.837721      275          275 2.6380175e-13          0.1    10.871043    6.6096007    28.983705 
+number of iterations: 643 
+number of iterations: 643 
+number of iterations: 642 
+   21960    94.565332      286          286 2.7583344e-13          0.1    11.387277    6.9237153    28.270265 
+number of iterations: 643 
+number of iterations: 643 
+number of iterations: 642 
+number of iterations: 643 
+   22320     95.35716      304          304 2.9273361e-13          0.1      12.1124    7.3649323    27.268155 
+number of iterations: 642 
+number of iterations: 641 
+number of iterations: 640 
+   22680    95.921148      311          311 3.0608485e-13          0.1    12.685251    7.7134964    26.476494 
+number of iterations: 639 
+number of iterations: 638 
+number of iterations: 637 
+number of iterations: 637 
+   23040    96.717457      329          329 3.2483849e-13          0.1    13.489902    8.2031028     25.36451 
+number of iterations: 637 
+number of iterations: 632 
+number of iterations: 632 
+number of iterations: 630 
+   23400    97.455228      350          350 3.4474115e-13          0.1    14.343851    8.7227064    24.184419 
+number of iterations: 630 
+number of iterations: 630 
+number of iterations: 629 
+   23760    98.085706      374          374 3.6046439e-13          0.1    15.018472    9.1331956    23.252159 
+number of iterations: 626 
+number of iterations: 628 
+number of iterations: 629 
+number of iterations: 629 
+   24120     98.85337      400          400 3.8254982e-13          0.1    15.966076     9.709785    21.942688 
+number of iterations: 629 
+number of iterations: 627 
+number of iterations: 625 
+   24480    99.543105      426          426 3.9999744e-13          0.1    16.714686    10.165293    20.908217 
+number of iterations: 626 
+number of iterations: 622 
+number of iterations: 623 
+number of iterations: 622 
+   24840    100.35141      456          456 4.2450502e-13          0.1    17.766208    10.805116    19.455191 
+number of iterations: 623 
+number of iterations: 623 
+number of iterations: 622 
+number of iterations: 621 
+   25200    101.21078      484          484 4.5051414e-13          0.1    18.882154     11.48414    17.913171 
+number of iterations: 621 
+number of iterations: 621 
+number of iterations: 621 
+   25560      101.943      508          508 4.710615e-13          0.1    19.763759    12.020572    16.694987 
+number of iterations: 620 
+number of iterations: 620 
+number of iterations: 619 
+number of iterations: 618 
+   25920    102.90938      537          537 4.9992307e-13          0.1    21.002094    12.774064     14.98391 
+number of iterations: 617 
+number of iterations: 617 
+number of iterations: 617 
+   26280    103.67103      554          554 5.2272386e-13          0.1    21.980386    13.369328    13.632173 
+number of iterations: 616 
+number of iterations: 614 
+number of iterations: 614 
+number of iterations: 613 
+   26640    104.52178      572          572 5.5475066e-13          0.1    23.354534    14.205457     11.73351 
+number of iterations: 611 
+number of iterations: 608 
+number of iterations: 623 
+number of iterations: 647 
+   27000    105.44805      613          613 5.8873964e-13          0.1    24.812872    15.092814    9.7185783 
+number of iterations: 675 
+number of iterations: 704 
+number of iterations: 736 
+   27360    106.27363      641          641 6.1559106e-13          0.1    25.964964    15.793829    8.1268126 
+number of iterations: 769 
+number of iterations: 807 
+number of iterations: 846 
+number of iterations: 897 
+   27720    107.26358      677          677 6.5330736e-13          0.1    27.583233    16.778497    5.8910224 
+number of iterations: 951 
+number of iterations: 1041 
+number of iterations: 1159 
+   28080    108.15193      716          716 6.8310317e-13          0.1    28.861669    17.556385    4.1248036 
+number of iterations: 1275 
+number of iterations: 1399 
+number of iterations: 1537 
+number of iterations: 1699 
+   28440    109.47631      758          758 7.2495413e-13          0.1    30.657354     18.64901     1.644042 
+number of iterations: 1929 
+number of iterations: 2452 
+number of iterations: 4632 
+Fix halt 10 condition met on step 28700 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 111.273 on 12 procs for 28700 steps with 801 atoms
+
+Performance: 222846567.055 tau/day, 257.924 timesteps/s
+55.6% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.024273   | 0.040146   | 0.070558   |   6.8 |  0.04
+Neigh   | 0.0054466  | 0.011305   | 0.022911   |   4.9 |  0.01
+Comm    | 0.077893   | 0.32373    | 0.64049    |  32.4 |  0.29
+Output  | 1.776      | 1.7769     | 1.7795     |   0.1 |  1.60
+Modify  | 108.12     | 108.42     | 108.66     |   1.7 | 97.43
+Other   |            | 0.7057     |            |       |  0.63
+
+Nlocal:    66.75 ave 204 max 0 min
+Histogram: 5 0 0 1 3 2 0 0 0 1
+Nghost:    13.9167 ave 24 max 0 min
+Histogram: 2 0 1 1 1 0 0 3 2 2
+Neighs:    140.25 ave 476 max 0 min
+Histogram: 5 0 1 2 3 0 0 0 0 1
+
+Total # of neighbors = 1683
+Ave neighs/atom = 2.10112
+Neighbor list builds = 500
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 0.6
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_0.6
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_0.6
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 329743 
+number of iterations: 6158 
+number of iterations: 4532 
+     360    48.492152       11           11 1.1107892e-14          0.1  0.032568116  0.015355477    43.967348 
+number of iterations: 3301 
+number of iterations: 2816 
+number of iterations: 2583 
+number of iterations: 2323 
+     720    50.681621       15           15 1.1773012e-14          0.1  0.065635524  0.036668324    43.921544 
+number of iterations: 2116 
+number of iterations: 1952 
+number of iterations: 1829 
+    1080    51.888769       16           16 1.2297861e-14          0.1  0.091729643   0.05348528    43.885415 
+number of iterations: 1741 
+number of iterations: 1665 
+number of iterations: 1598 
+number of iterations: 1538 
+    1440    53.452021       16           16 1.3034234e-14          0.1   0.12834159   0.07707937     43.83473 
+number of iterations: 1485 
+number of iterations: 1437 
+number of iterations: 1394 
+number of iterations: 1359 
+    1800    54.659043       16           16 1.3814701e-14          0.1   0.16714698   0.10208598    43.781014 
+number of iterations: 1327 
+number of iterations: 1297 
+number of iterations: 1271 
+    2160    55.645199       16           16 1.4430569e-14          0.1   0.19776904   0.12181867    43.738628 
+number of iterations: 1246 
+number of iterations: 1223 
+number of iterations: 1202 
+number of iterations: 1183 
+    2520    56.791127       16           16 1.5294645e-14          0.1   0.24073323   0.14950401    43.679163 
+number of iterations: 1165 
+number of iterations: 1149 
+number of iterations: 1133 
+    2880    57.576273       17           17 1.597649e-14          0.1   0.27463628   0.17135037    43.632243 
+number of iterations: 1118 
+number of iterations: 1105 
+number of iterations: 1092 
+number of iterations: 1080 
+    3240    58.679256       18           18 1.6933134e-14          0.1   0.32220299   0.20200116    43.566416 
+number of iterations: 1068 
+number of iterations: 1057 
+number of iterations: 1046 
+number of iterations: 1036 
+    3600    59.618245       18           18 1.7947059e-14          0.1   0.37261836   0.23448721    43.496652 
+number of iterations: 1027 
+number of iterations: 1017 
+number of iterations: 1009 
+    3960    60.273746       18           18 1.8747151e-14          0.1   0.41240169   0.26012203    43.441602 
+number of iterations: 1000 
+number of iterations: 992 
+number of iterations: 984 
+number of iterations: 977 
+    4320    61.319449       18           18 1.9869696e-14          0.1   0.46821913   0.29608826    43.364369 
+number of iterations: 970 
+number of iterations: 963 
+number of iterations: 956 
+    4680    62.098169       18           18  2.07555e-14          0.1    0.5122652   0.32446932    43.303426 
+number of iterations: 950 
+number of iterations: 937 
+number of iterations: 931 
+number of iterations: 891 
+    5040    62.919073       21           21 2.1998302e-14          0.1   0.57406365   0.36428861    43.217929 
+number of iterations: 885 
+number of iterations: 880 
+number of iterations: 875 
+number of iterations: 871 
+    5400    63.703195       25           25 2.3315521e-14          0.1   0.63956217   0.40649192    43.127323 
+number of iterations: 866 
+number of iterations: 863 
+number of iterations: 858 
+    5760    64.335707       29           29 2.4354941e-14          0.1   0.69124762   0.43979462    43.055827 
+number of iterations: 853 
+number of iterations: 849 
+number of iterations: 842 
+number of iterations: 838 
+    6120    65.159418       31           31 2.5813271e-14          0.1    0.7637628   0.48651862    42.955519 
+number of iterations: 834 
+number of iterations: 830 
+number of iterations: 826 
+    6480    65.703826       31           31 2.6964043e-14          0.1   0.82098495   0.52338865    42.876368 
+number of iterations: 822 
+number of iterations: 819 
+number of iterations: 815 
+number of iterations: 812 
+    6840    66.613606       32           32 2.8578601e-14          0.1   0.90126885   0.57511811    42.765322 
+number of iterations: 809 
+number of iterations: 806 
+number of iterations: 802 
+number of iterations: 799 
+    7200    67.339226       32           32 3.0289836e-14          0.1   0.98636004   0.62994504    42.647631 
+number of iterations: 796 
+number of iterations: 794 
+number of iterations: 791 
+    7560    67.929839       34           34 3.1640176e-14          0.1    1.0535064   0.67320916    42.554764 
+number of iterations: 788 
+number of iterations: 785 
+number of iterations: 783 
+number of iterations: 780 
+    7920    68.726985       36           36 3.3534733e-14          0.1    1.1477159    0.7339098    42.424472 
+number of iterations: 778 
+number of iterations: 775 
+number of iterations: 773 
+    8280    69.212363       36           36 3.5029732e-14          0.1    1.2220571   0.78180884    42.321662 
+number of iterations: 770 
+number of iterations: 768 
+number of iterations: 766 
+number of iterations: 764 
+    8640    69.991152       36           36 3.712725e-14          0.1    1.3263598   0.84901227     42.17742 
+number of iterations: 762 
+number of iterations: 760 
+number of iterations: 758 
+number of iterations: 756 
+    9000    70.744727       36           36 3.9350362e-14          0.1    1.4369081   0.92023973    42.024547 
+number of iterations: 754 
+number of iterations: 752 
+number of iterations: 754 
+    9360    71.310907       37           37 4.1104626e-14          0.1    1.5241421   0.97644547    41.903919 
+number of iterations: 752 
+number of iterations: 750 
+number of iterations: 748 
+number of iterations: 756 
+    9720    72.172408       43           43 4.3565897e-14          0.1    1.6465359    1.0553041    41.734671 
+number of iterations: 758 
+number of iterations: 756 
+number of iterations: 757 
+   10080    72.792706       49           49 4.5508092e-14          0.1    1.7431197    1.1175323     41.60112 
+number of iterations: 755 
+number of iterations: 754 
+number of iterations: 752 
+number of iterations: 751 
+   10440    73.567341       52           52 4.8233034e-14          0.1    1.8786296    1.2048399    41.413748 
+number of iterations: 749 
+number of iterations: 746 
+number of iterations: 745 
+number of iterations: 743 
+   10800    74.288558       59           59 5.112114e-14          0.1    2.0222548    1.2973758    41.215154 
+number of iterations: 743 
+number of iterations: 738 
+number of iterations: 737 
+   11160    74.894732       61           61 5.3400153e-14          0.1    2.1355901    1.3703962    41.058443 
+number of iterations: 735 
+number of iterations: 734 
+number of iterations: 733 
+number of iterations: 732 
+   11520    75.587963       64           64 5.6597657e-14          0.1    2.2946031    1.4728455    40.838578 
+number of iterations: 731 
+number of iterations: 730 
+number of iterations: 729 
+   11880    76.279633       65           65 5.9120816e-14          0.1    2.4200807    1.5536885    40.665086 
+number of iterations: 728 
+number of iterations: 727 
+number of iterations: 726 
+number of iterations: 725 
+   12240    76.946473       67           67 6.2660863e-14          0.1    2.5961299    1.6671133    40.421677 
+number of iterations: 724 
+number of iterations: 723 
+number of iterations: 723 
+number of iterations: 722 
+   12600    77.741707       70           70 6.6412881e-14          0.1    2.7827212    1.7873299    40.163699 
+number of iterations: 721 
+number of iterations: 720 
+number of iterations: 719 
+   12960    78.425216       72           72 6.9373609e-14          0.1    2.9299591    1.8821929    39.960134 
+number of iterations: 718 
+number of iterations: 711 
+number of iterations: 710 
+number of iterations: 709 
+   13320    79.188868       73           73 7.3527574e-14          0.1    3.1365383     2.015288     39.67453 
+number of iterations: 702 
+number of iterations: 702 
+number of iterations: 701 
+   13680    79.835746       75           75 7.6805479e-14          0.1     3.299551    2.1203137    39.449161 
+number of iterations: 700 
+number of iterations: 699 
+number of iterations: 698 
+number of iterations: 697 
+   14040    80.572702       76           76 8.1404451e-14          0.1    3.5282609    2.2676671     39.13297 
+number of iterations: 697 
+number of iterations: 692 
+number of iterations: 691 
+number of iterations: 691 
+   14400     81.26787       84           84 8.6278801e-14          0.1    3.7706662    2.4238441    38.797851 
+number of iterations: 690 
+number of iterations: 689 
+number of iterations: 692 
+   14760     81.91817       94           94 9.0125163e-14          0.1    3.9619475    2.5470831    38.533421 
+number of iterations: 697 
+number of iterations: 694 
+number of iterations: 693 
+number of iterations: 692 
+   15120    82.688279      108          108 9.5521693e-14          0.1    4.2303246    2.7199915    38.162415 
+number of iterations: 691 
+number of iterations: 690 
+number of iterations: 686 
+   15480    83.214883      111          111 9.9780109e-14          0.1    4.4421016    2.8564337     37.86966 
+number of iterations: 685 
+number of iterations: 684 
+number of iterations: 688 
+number of iterations: 687 
+   15840    84.010752      118          118 1.0575476e-13          0.1    4.7392294    3.0478652    37.458924 
+number of iterations: 687 
+number of iterations: 687 
+number of iterations: 687 
+number of iterations: 686 
+   16200    84.753715      121          121 1.1208716e-13          0.1    5.0541484    3.2507591    37.023607 
+number of iterations: 684 
+number of iterations: 682 
+number of iterations: 681 
+   16560     85.29934      129          129 1.1708407e-13          0.1    5.3026502    3.4108625    36.680107 
+number of iterations: 681 
+number of iterations: 678 
+number of iterations: 677 
+number of iterations: 677 
+   16920    86.056788      135          135 1.2409485e-13          0.1    5.6513025    3.6354908    36.198179 
+number of iterations: 677 
+number of iterations: 677 
+number of iterations: 676 
+   17280    86.549582      139          139 1.2962707e-13          0.1    5.9264256    3.8127456    35.817895 
+number of iterations: 676 
+number of iterations: 676 
+number of iterations: 675 
+number of iterations: 672 
+   17640    87.329671      142          142 1.373889e-13          0.1     6.312428    4.0614377    35.284357 
+number of iterations: 672 
+number of iterations: 672 
+number of iterations: 670 
+number of iterations: 669 
+   18000    88.077971      147          147 1.456155e-13          0.1    6.7215456    4.3250215    34.718877 
+number of iterations: 669 
+number of iterations: 668 
+number of iterations: 668 
+   18360    88.585957      153          153 1.5210712e-13          0.1    7.0443841    4.5330167    34.272658 
+number of iterations: 667 
+number of iterations: 667 
+number of iterations: 664 
+number of iterations: 664 
+   18720     89.33854      163          163 1.6121502e-13          0.1     7.497338    4.8248393    33.646606 
+number of iterations: 663 
+number of iterations: 658 
+number of iterations: 660 
+   19080    89.899829      170          170 1.6840208e-13          0.1    7.8547658    5.0551174    33.152592 
+number of iterations: 660 
+number of iterations: 659 
+number of iterations: 657 
+number of iterations: 656 
+   19440    90.546984      182          182 1.7848568e-13          0.1    8.3562456    5.3782031    32.459486 
+number of iterations: 656 
+number of iterations: 654 
+number of iterations: 651 
+number of iterations: 652 
+   19800    91.341542      198          198 1.8917307e-13          0.1    8.8877499    5.7206342    31.724892 
+number of iterations: 649 
+number of iterations: 647 
+number of iterations: 646 
+   20160    91.869231      212          212 1.9760651e-13          0.1    9.3071568    5.9908464    31.145238 
+number of iterations: 649 
+number of iterations: 646 
+number of iterations: 646 
+number of iterations: 645 
+   20520    92.584165      231          231 2.0943882e-13          0.1    9.8955931    6.3699598    30.331982 
+number of iterations: 642 
+number of iterations: 641 
+number of iterations: 641 
+   20880    93.170804      242          242 2.1877572e-13          0.1    10.359931    6.6691193    29.690248 
+number of iterations: 641 
+number of iterations: 641 
+number of iterations: 642 
+number of iterations: 643 
+   21240    93.928169      253          253 2.3187559e-13          0.1    11.011402    7.0888456    28.789901 
+number of iterations: 642 
+number of iterations: 642 
+number of iterations: 642 
+number of iterations: 642 
+   21600    94.731381      264          264 2.4575986e-13          0.1     11.70188    7.5337045    27.835659 
+number of iterations: 642 
+number of iterations: 642 
+number of iterations: 642 
+   21960    95.269806      270          270 2.5671597e-13          0.1    12.246741    7.8847437    27.082674 
+number of iterations: 642 
+number of iterations: 642 
+number of iterations: 642 
+number of iterations: 641 
+   22320    95.992558      280          280 2.7208762e-13          0.1    13.011191    8.3772588    26.026237 
+number of iterations: 640 
+number of iterations: 640 
+number of iterations: 640 
+   22680    96.563297      296          296 2.8421743e-13          0.1    13.614424     8.765904    25.192609 
+number of iterations: 640 
+number of iterations: 636 
+number of iterations: 637 
+number of iterations: 637 
+   23040    97.257004      311          311 3.0123582e-13          0.1    14.460771    9.3111816    24.023028 
+number of iterations: 636 
+number of iterations: 636 
+number of iterations: 636 
+number of iterations: 636 
+   23400    98.059198      323          323 3.1927322e-13          0.1      15.3578    9.8891105     22.78343 
+number of iterations: 636 
+number of iterations: 635 
+number of iterations: 633 
+   23760    98.662678      338          338 3.3350658e-13          0.1    16.065649    10.345156    21.805274 
+number of iterations: 631 
+number of iterations: 631 
+number of iterations: 628 
+number of iterations: 628 
+   24120    99.391842      368          368 3.5347628e-13          0.1    17.058778    10.984997     20.43292 
+number of iterations: 628 
+number of iterations: 628 
+number of iterations: 628 
+   24480    100.05794      385          385 3.6923441e-13          0.1    17.842464    11.489899    19.350003 
+number of iterations: 627 
+number of iterations: 627 
+number of iterations: 626 
+number of iterations: 625 
+   24840     100.8273      415          415 3.913434e-13          0.1    18.941991    12.198286    17.830674 
+number of iterations: 625 
+number of iterations: 626 
+number of iterations: 627 
+number of iterations: 625 
+   25200    101.55768      447          447 4.1477622e-13          0.1    20.107353    12.949088    16.220405 
+number of iterations: 624 
+number of iterations: 623 
+number of iterations: 624 
+   25560    102.23714      464          464 4.3326709e-13          0.1    21.026943    13.541547    14.949759 
+number of iterations: 623 
+number of iterations: 623 
+number of iterations: 622 
+number of iterations: 622 
+   25920    103.10482      498          498 4.5921015e-13          0.1    22.317144    14.372778    13.167051 
+number of iterations: 620 
+number of iterations: 620 
+number of iterations: 618 
+   26280    103.71592      516          516 4.7968186e-13          0.1     23.33525    15.028704    11.760338 
+number of iterations: 616 
+number of iterations: 616 
+number of iterations: 616 
+number of iterations: 637 
+   26640    104.79003      540          540 5.0840404e-13          0.1    24.763681    15.948983    9.7867328 
+number of iterations: 665 
+number of iterations: 693 
+number of iterations: 723 
+number of iterations: 756 
+   27000     106.0186      559          559 5.3884593e-13          0.1    26.277634    16.924361    7.6950225 
+number of iterations: 792 
+number of iterations: 832 
+number of iterations: 876 
+   27360    106.92886      581          581 5.6286757e-13          0.1    27.472298    17.694031    6.0444954 
+number of iterations: 926 
+number of iterations: 985 
+number of iterations: 1108 
+number of iterations: 1224 
+   27720    108.28485      623          623 5.9657008e-13          0.1    29.148425    18.773886    3.7288634 
+number of iterations: 1343 
+number of iterations: 1474 
+number of iterations: 1623 
+   28080     109.4798      646          646 6.2316401e-13          0.1    30.471035    19.625985    1.9016875 
+number of iterations: 1805 
+number of iterations: 2161 
+number of iterations: 3006 
+number of iterations: 15564 
+Fix halt 10 condition met on step 28400 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 115.549 on 12 procs for 28400 steps with 681 atoms
+
+Performance: 212357238.098 tau/day, 245.784 timesteps/s
+55.3% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.023923   | 0.038518   | 0.063467   |   5.9 |  0.03
+Neigh   | 0.005493   | 0.010427   | 0.020956   |   4.5 |  0.01
+Comm    | 0.072141   | 0.29097    | 0.60298    |  30.4 |  0.25
+Output  | 1.6897     | 1.6903     | 1.6929     |   0.1 |  1.46
+Modify  | 112.55     | 112.85     | 113.09     |   1.5 | 97.66
+Other   |            | 0.6693     |            |       |  0.58
+
+Nlocal:    56.75 ave 172 max 0 min
+Histogram: 5 0 0 1 3 2 0 0 0 1
+Nghost:    11.5 ave 21 max 0 min
+Histogram: 2 1 1 0 1 0 1 3 0 3
+Neighs:    111.167 ave 397 max 0 min
+Histogram: 5 0 1 3 2 0 0 0 0 1
+
+Total # of neighbors = 1334
+Ave neighs/atom = 1.95888
+Neighbor list builds = 478
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 0.7
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_0.7
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_0.7
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 329743 
+number of iterations: 6157 
+number of iterations: 4530 
+     360    46.356078       11           11 1.1096964e-14          0.1  0.035332139  0.017908851    43.963525 
+number of iterations: 3300 
+number of iterations: 2815 
+number of iterations: 2582 
+number of iterations: 2322 
+     720    48.555911       15           15 1.1746005e-14          0.1  0.072235046  0.042737009    43.912415 
+number of iterations: 2115 
+number of iterations: 1950 
+number of iterations: 1828 
+    1080    49.853627       16           16 1.2257579e-14          0.1   0.10132249  0.062305299    43.872146 
+number of iterations: 1740 
+number of iterations: 1663 
+number of iterations: 1596 
+number of iterations: 1536 
+    1440      51.3843       16           16 1.2974503e-14          0.1   0.14208736  0.089727912    43.815718 
+number of iterations: 1483 
+number of iterations: 1435 
+number of iterations: 1392 
+number of iterations: 1357 
+    1800      52.6169       16           16 1.3733358e-14          0.1   0.18523781   0.11875413    43.755993 
+number of iterations: 1325 
+number of iterations: 1295 
+number of iterations: 1269 
+    2160    53.588785       16           16 1.4331487e-14          0.1   0.21924967   0.14163247    43.708919 
+number of iterations: 1244 
+number of iterations: 1221 
+number of iterations: 1200 
+number of iterations: 1181 
+    2520    54.717385       16           16 1.516971e-14          0.1   0.26691503   0.17369429    43.642953 
+number of iterations: 1163 
+number of iterations: 1146 
+number of iterations: 1131 
+    2880    55.571874       17           17 1.5830397e-14          0.1   0.30448494   0.19896522    43.590961 
+number of iterations: 1116 
+number of iterations: 1102 
+number of iterations: 1090 
+number of iterations: 1078 
+    3240    56.599414       18           18 1.6756288e-14          0.1   0.35713561   0.23437987    43.518105 
+number of iterations: 1066 
+number of iterations: 1055 
+number of iterations: 1044 
+number of iterations: 1034 
+    3600    57.654096       18           18 1.7736333e-14          0.1     0.412866   0.27186577     43.44099 
+number of iterations: 1024 
+number of iterations: 1015 
+number of iterations: 1006 
+    3960     58.38022       18           18 1.8508804e-14          0.1   0.45679311   0.30141212    43.380211 
+number of iterations: 998 
+number of iterations: 989 
+number of iterations: 982 
+number of iterations: 974 
+    4320    59.407583       18           18 1.959135e-14          0.1   0.51835355   0.34281862    43.295038 
+number of iterations: 967 
+number of iterations: 960 
+number of iterations: 954 
+    4680     60.22597       18           18 2.0444613e-14          0.1   0.56687586    0.3754552    43.227907 
+number of iterations: 947 
+number of iterations: 941 
+number of iterations: 928 
+number of iterations: 922 
+    5040    61.183556       19           19 2.1640381e-14          0.1   0.63487658   0.42119252    43.133831 
+number of iterations: 903 
+number of iterations: 877 
+number of iterations: 872 
+number of iterations: 867 
+    5400    62.115628       23           23 2.2906088e-14          0.1   0.70685376   0.46960446    43.034269 
+number of iterations: 862 
+number of iterations: 858 
+number of iterations: 855 
+    5760    62.746509       27           27 2.3903717e-14          0.1   0.76358737   0.50776293    42.955794 
+number of iterations: 850 
+number of iterations: 846 
+number of iterations: 842 
+number of iterations: 834 
+    6120    63.593897       30           30 2.5301802e-14          0.1   0.84309497    0.5612383    42.845811 
+number of iterations: 830 
+number of iterations: 826 
+number of iterations: 823 
+    6480    64.225466       31           31 2.6403772e-14          0.1   0.90576306   0.60338755    42.759126 
+number of iterations: 819 
+number of iterations: 815 
+number of iterations: 812 
+number of iterations: 808 
+    6840    65.000208       31           31 2.794808e-14          0.1   0.99358703   0.66245587    42.637648 
+number of iterations: 805 
+number of iterations: 802 
+number of iterations: 799 
+number of iterations: 796 
+    7200    65.780927       32           32 2.9582713e-14          0.1    1.0865475   0.72497897     42.50907 
+number of iterations: 793 
+number of iterations: 790 
+number of iterations: 787 
+    7560     66.40314       32           32 3.0871129e-14          0.1    1.1598191   0.77425964    42.407728 
+number of iterations: 784 
+number of iterations: 782 
+number of iterations: 779 
+number of iterations: 776 
+    7920    67.206806       35           35 3.2676726e-14          0.1    1.2625045   0.84332213    42.265711 
+number of iterations: 774 
+number of iterations: 771 
+number of iterations: 769 
+    8280    67.824627       36           36 3.4099895e-14          0.1     1.343442   0.89775719    42.153776 
+number of iterations: 767 
+number of iterations: 764 
+number of iterations: 762 
+number of iterations: 760 
+    8640    68.609422       36           36 3.6094336e-14          0.1    1.4568687   0.97404295    41.996914 
+number of iterations: 758 
+number of iterations: 756 
+number of iterations: 754 
+number of iterations: 752 
+    9000    69.358308       36           36 3.8205429e-14          0.1    1.5769299    1.0547905    41.830883 
+number of iterations: 750 
+number of iterations: 748 
+number of iterations: 746 
+    9360    69.957103       36           36 3.986939e-14          0.1    1.6715623    1.1184357    41.700025 
+number of iterations: 744 
+number of iterations: 746 
+number of iterations: 744 
+number of iterations: 742 
+    9720    70.690582       38           38 4.2201278e-14          0.1    1.8041809    1.2076287     41.51664 
+number of iterations: 741 
+number of iterations: 743 
+number of iterations: 750 
+   10080     71.25214       44           44 4.403927e-14          0.1    1.9087115    1.2779308    41.372101 
+number of iterations: 749 
+number of iterations: 749 
+number of iterations: 747 
+number of iterations: 746 
+   10440    72.056165       50           50 4.6615047e-14          0.1    2.0552005    1.3764527    41.169555 
+number of iterations: 744 
+number of iterations: 743 
+number of iterations: 742 
+number of iterations: 738 
+   10800    72.834561       56           56 4.9341477e-14          0.1    2.2102584    1.4807373    40.955163 
+number of iterations: 736 
+number of iterations: 735 
+number of iterations: 733 
+   11160    73.383028       59           59 5.1490446e-14          0.1    2.3324756    1.5629346    40.786177 
+number of iterations: 734 
+number of iterations: 728 
+number of iterations: 727 
+number of iterations: 726 
+   11520    74.155562       61           61 5.4502029e-14          0.1    2.5037521    1.6781267    40.549361 
+number of iterations: 725 
+number of iterations: 724 
+number of iterations: 723 
+   11880    74.815211       64           64 5.6875755e-14          0.1     2.638753    1.7689211    40.362706 
+number of iterations: 722 
+number of iterations: 721 
+number of iterations: 720 
+number of iterations: 719 
+   12240    75.514602       66           66 6.0202315e-14          0.1    2.8279452    1.8961611    40.101133 
+number of iterations: 718 
+number of iterations: 717 
+number of iterations: 716 
+number of iterations: 715 
+   12600     76.23121       67           67 6.3723438e-14          0.1    3.0282046    2.0308435    39.824265 
+number of iterations: 714 
+number of iterations: 713 
+number of iterations: 712 
+   12960     76.84197       70           70 6.6498785e-14          0.1    3.1860487    2.1370001    39.606043 
+number of iterations: 711 
+number of iterations: 711 
+number of iterations: 710 
+number of iterations: 709 
+   13320    77.586911       72           72 7.0388177e-14          0.1    3.4072512    2.2857686    39.300231 
+number of iterations: 703 
+number of iterations: 701 
+number of iterations: 700 
+   13680    78.182625       73           73 7.3453793e-14          0.1     3.581604     2.403028    39.059191 
+number of iterations: 700 
+number of iterations: 702 
+number of iterations: 701 
+number of iterations: 701 
+   14040    79.125683       76           76 7.7749971e-14          0.1    3.8259478    2.5673572    38.721397 
+number of iterations: 697 
+number of iterations: 696 
+number of iterations: 696 
+number of iterations: 695 
+   14400     79.82955       76           76 8.2297425e-14          0.1    4.0845827    2.7412975    38.363855 
+number of iterations: 694 
+number of iterations: 691 
+number of iterations: 690 
+   14760    80.389248       82           82 8.5881723e-14          0.1    4.2884392    2.8783975    38.082043 
+number of iterations: 690 
+number of iterations: 689 
+number of iterations: 689 
+number of iterations: 692 
+   15120    81.286812       95           95 9.0904788e-14          0.1    4.5741296    3.0705312    37.687109 
+number of iterations: 698 
+number of iterations: 697 
+number of iterations: 694 
+   15480    81.791272      105          105 9.4863963e-14          0.1    4.7993118    3.2219714    37.375824 
+number of iterations: 694 
+number of iterations: 690 
+number of iterations: 690 
+number of iterations: 689 
+   15840    82.542586      111          111 1.0041238e-13          0.1    5.1148814    3.4342003    36.939599 
+number of iterations: 689 
+number of iterations: 688 
+number of iterations: 688 
+number of iterations: 687 
+   16200      83.2826      118          118 1.0628532e-13          0.1    5.4489064    3.6588417    36.477871 
+number of iterations: 681 
+number of iterations: 681 
+number of iterations: 680 
+   16560    83.834273      121          121 1.1091436e-13          0.1    5.7121857    3.8359039    36.113943 
+number of iterations: 680 
+number of iterations: 678 
+number of iterations: 677 
+number of iterations: 677 
+   16920    84.604801      129          129 1.1740154e-13          0.1    6.0811452    4.0840396    35.603946 
+number of iterations: 676 
+number of iterations: 676 
+number of iterations: 675 
+   17280    85.176503      134          134 1.2251472e-13          0.1     6.371957    4.2796193    35.201977 
+number of iterations: 675 
+number of iterations: 675 
+number of iterations: 675 
+number of iterations: 673 
+   17640    85.996254      139          139 1.2968038e-13          0.1    6.7795037    4.5537066    34.638661 
+number of iterations: 673 
+number of iterations: 672 
+number of iterations: 672 
+number of iterations: 671 
+   18000     86.74798      142          142 1.3726514e-13          0.1    7.2108866    4.8438247    34.042409 
+number of iterations: 672 
+number of iterations: 669 
+number of iterations: 669 
+   18360    87.316284      144          144 1.4324345e-13          0.1     7.550903    5.0724957     33.57245 
+number of iterations: 669 
+number of iterations: 668 
+number of iterations: 668 
+number of iterations: 667 
+   18720    88.169258      153          153 1.5162149e-13          0.1    8.0274073    5.3929574    32.913853 
+number of iterations: 667 
+number of iterations: 666 
+number of iterations: 666 
+   19080    88.802889      162          162 1.5822506e-13          0.1    8.4029853    5.6455443     32.39476 
+number of iterations: 666 
+number of iterations: 665 
+number of iterations: 660 
+number of iterations: 661 
+   19440    89.631223      170          170 1.6747934e-13          0.1    8.9293247    5.9995215    31.667308 
+number of iterations: 663 
+number of iterations: 659 
+number of iterations: 659 
+number of iterations: 657 
+   19800    90.385477      180          180 1.7727489e-13          0.1    9.4864506    6.3742028    30.897318 
+number of iterations: 657 
+number of iterations: 656 
+number of iterations: 654 
+   20160     91.02823      193          193 1.8499574e-13          0.1    9.9255764    6.6695262    30.290421 
+number of iterations: 655 
+number of iterations: 654 
+number of iterations: 653 
+number of iterations: 652 
+   20520    92.124548      209          209 1.9581579e-13          0.1     10.54097    7.0833955     29.43992 
+number of iterations: 651 
+number of iterations: 651 
+number of iterations: 650 
+   20880    92.685072      222          222 2.0434414e-13          0.1    11.026019    7.4096056    28.769573 
+number of iterations: 650 
+number of iterations: 649 
+number of iterations: 649 
+number of iterations: 649 
+   21240    93.575598      238          238 2.1629584e-13          0.1    11.705775    7.8667601    27.830149 
+number of iterations: 647 
+number of iterations: 645 
+number of iterations: 647 
+number of iterations: 646 
+   21600    94.439078      253          253 2.2894657e-13          0.1    12.425287    8.3506517      26.8358 
+number of iterations: 645 
+number of iterations: 644 
+number of iterations: 644 
+   21960    95.036416      258          258 2.3891786e-13          0.1    12.992406    8.7320544    26.052068 
+number of iterations: 644 
+number of iterations: 643 
+number of iterations: 642 
+number of iterations: 641 
+   22320     95.92135      267          267 2.528917e-13          0.1    13.787171    9.2665552    24.953755 
+number of iterations: 640 
+number of iterations: 640 
+number of iterations: 640 
+   22680    96.551616      278          278 2.6390586e-13          0.1    14.413602    9.6878472    24.088081 
+number of iterations: 640 
+number of iterations: 638 
+number of iterations: 637 
+number of iterations: 637 
+   23040    97.339593      290          290 2.793412e-13          0.1    15.291487    10.278248    22.874938 
+number of iterations: 634 
+number of iterations: 634 
+number of iterations: 631 
+number of iterations: 634 
+   23400    98.101591      306          306 2.9567931e-13          0.1    16.220725    10.903182    21.590853 
+number of iterations: 633 
+number of iterations: 631 
+number of iterations: 630 
+   23760    98.825323      313          313 3.0855698e-13          0.1    16.953151    11.395755    20.578753 
+number of iterations: 629 
+number of iterations: 629 
+number of iterations: 627 
+number of iterations: 628 
+   24120    99.692935      330          330 3.2660385e-13          0.1    17.979575     12.08605    19.160414 
+number of iterations: 626 
+number of iterations: 625 
+number of iterations: 624 
+   24480    100.43239      348          348 3.4082837e-13          0.1    18.788599    12.630138    18.042503 
+number of iterations: 621 
+number of iterations: 621 
+number of iterations: 621 
+number of iterations: 620 
+   24840    101.32037      374          374 3.607627e-13          0.1    19.922364    13.392625    16.475888 
+number of iterations: 618 
+number of iterations: 618 
+number of iterations: 616 
+number of iterations: 615 
+   25200    102.35267      400          400 3.8186293e-13          0.1    21.122444    14.199709    14.817676 
+number of iterations: 613 
+number of iterations: 614 
+number of iterations: 612 
+   25560    103.05325      426          426 3.9849409e-13          0.1    22.068353    14.835853    13.510691 
+number of iterations: 612 
+number of iterations: 611 
+number of iterations: 611 
+number of iterations: 609 
+   25920     104.8181      453          453 4.2180109e-13          0.1    23.393963    15.727349    11.679104 
+number of iterations: 610 
+number of iterations: 608 
+number of iterations: 610 
+   26280    106.53998      472          472 4.4017161e-13          0.1    24.438811    16.430025     10.23548 
+number of iterations: 633 
+number of iterations: 661 
+number of iterations: 688 
+number of iterations: 716 
+   26640    107.96292      501          501 4.6591612e-13          0.1    25.903051    17.414756    8.2124413 
+number of iterations: 748 
+number of iterations: 784 
+number of iterations: 823 
+number of iterations: 866 
+   27000    108.98323      532          532 4.9316622e-13          0.1    27.452934    18.457078    6.0711423 
+number of iterations: 915 
+number of iterations: 972 
+number of iterations: 1080 
+   27360    109.85412      545          545 5.1464452e-13          0.1     28.67454    19.278628    4.3834327 
+number of iterations: 1195 
+number of iterations: 1313 
+number of iterations: 1439 
+number of iterations: 1582 
+   27720    111.22498      562          562 5.4474363e-13          0.1    30.386474    20.429934    2.0183887 
+number of iterations: 1753 
+number of iterations: 2047 
+number of iterations: 2711 
+   28080    112.86047      587          587 5.6647811e-13          0.1    31.735712    21.337322   0.15702879 
+number of iterations: 7840 
+Fix halt 10 condition met on step 28100 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 114.291 on 12 procs for 28100 steps with 592 atoms
+
+Performance: 212426296.767 tau/day, 245.864 timesteps/s
+54.6% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.023701   | 0.036222   | 0.058912   |   5.5 |  0.03
+Neigh   | 0.0050778  | 0.0091745  | 0.017183   |   3.7 |  0.01
+Comm    | 0.074261   | 0.29514    | 0.62063    |  31.1 |  0.26
+Output  | 1.8223     | 1.8228     | 1.8256     |   0.1 |  1.59
+Modify  | 111.12     | 111.44     | 111.69     |   1.6 | 97.51
+Other   |            | 0.6881     |            |       |  0.60
+
+Nlocal:    49.3333 ave 153 max 0 min
+Histogram: 5 0 0 1 3 2 0 0 0 1
+Nghost:    10.0833 ave 17 max 0 min
+Histogram: 2 1 1 1 0 0 0 1 3 3
+Neighs:    87.6667 ave 301 max 0 min
+Histogram: 5 0 0 3 3 0 0 0 0 1
+
+Total # of neighbors = 1052
+Ave neighs/atom = 1.77703
+Neighbor list builds = 453
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 0.8
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_0.8
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_0.8
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 329743 
+number of iterations: 6157 
+number of iterations: 4529 
+     360    63.602548       11           11 1.1086044e-14          0.1  0.038094367  0.020460551    43.959704 
+number of iterations: 3299 
+number of iterations: 2814 
+number of iterations: 2580 
+number of iterations: 2320 
+     720    66.970779       15           15 1.1719052e-14          0.1  0.078821378  0.048793573    43.903301 
+number of iterations: 2113 
+number of iterations: 1948 
+number of iterations: 1825 
+    1080    69.052523       16           16 1.2217417e-14          0.1   0.11088643  0.071098727    43.858905 
+number of iterations: 1729 
+number of iterations: 1647 
+number of iterations: 1580 
+number of iterations: 1524 
+    1440    71.370261       16           16 1.2915026e-14          0.1   0.15577268   0.10232079    43.796764 
+number of iterations: 1474 
+number of iterations: 1430 
+number of iterations: 1391 
+number of iterations: 1355 
+    1800    73.291219       16           16 1.3652468e-14          0.1    0.2032235   0.13532533    43.731078 
+number of iterations: 1323 
+number of iterations: 1294 
+number of iterations: 1267 
+    2160    74.834586       16           16 1.4233054e-14          0.1    0.2405822   0.16130961    43.679366 
+number of iterations: 1242 
+number of iterations: 1219 
+number of iterations: 1198 
+number of iterations: 1178 
+    2520    76.585135       16           16 1.5045755e-14          0.1   0.29287777   0.19768224    43.606983 
+number of iterations: 1161 
+number of iterations: 1144 
+number of iterations: 1129 
+    2880    77.829355       17           17 1.5685592e-14          0.1   0.33405033   0.22631817    43.549999 
+number of iterations: 1114 
+number of iterations: 1100 
+number of iterations: 1088 
+number of iterations: 1075 
+    3240     79.46152       18           18 1.6581232e-14          0.1    0.3916831   0.26640229    43.470238 
+number of iterations: 1063 
+number of iterations: 1052 
+number of iterations: 1042 
+number of iterations: 1031 
+    3600    81.018513       18           18 1.7528013e-14          0.1   0.45260706   0.30877511    43.385927 
+number of iterations: 1022 
+number of iterations: 1012 
+number of iterations: 1004 
+    3960    82.262396       18           18 1.8273411e-14          0.1   0.50057287   0.34213509    43.319553 
+number of iterations: 995 
+number of iterations: 987 
+number of iterations: 979 
+number of iterations: 972 
+    4320    83.691346       18           18 1.9316814e-14          0.1   0.56771594   0.38883228    43.226646 
+number of iterations: 964 
+number of iterations: 957 
+number of iterations: 951 
+    4680     84.67087       18           18 2.0138282e-14          0.1   0.62057796   0.42559683    43.153504 
+number of iterations: 944 
+number of iterations: 938 
+number of iterations: 932 
+number of iterations: 919 
+    5040    86.013969       19           19 2.1288169e-14          0.1   0.69457506   0.47705981    43.051124 
+number of iterations: 914 
+number of iterations: 895 
+number of iterations: 869 
+number of iterations: 863 
+    5400     87.41678       21           21 2.2503714e-14          0.1   0.77279761    0.5314611    42.942908 
+number of iterations: 859 
+number of iterations: 854 
+number of iterations: 850 
+    5760     88.49706       27           27 2.3460708e-14          0.1   0.83438166   0.57429079    42.857719 
+number of iterations: 847 
+number of iterations: 843 
+number of iterations: 838 
+number of iterations: 834 
+    6120    89.754359       29           29 2.4800304e-14          0.1   0.92058804    0.6342435    42.738474 
+number of iterations: 827 
+number of iterations: 823 
+number of iterations: 819 
+    6480    90.781824       31           31 2.5854964e-14          0.1   0.98845861   0.68144411     42.64459 
+number of iterations: 815 
+number of iterations: 812 
+number of iterations: 808 
+number of iterations: 805 
+    6840     92.05082       31           31 2.7331271e-14          0.1     1.083464   0.74751533    42.513177 
+number of iterations: 802 
+number of iterations: 798 
+number of iterations: 795 
+number of iterations: 792 
+    7200    93.329558       32           32 2.8891874e-14          0.1    1.1838942   0.81735919    42.374264 
+number of iterations: 789 
+number of iterations: 786 
+number of iterations: 783 
+    7560    94.381656       32           32 3.0120531e-14          0.1    1.2629627   0.87234704    42.264902 
+number of iterations: 780 
+number of iterations: 778 
+number of iterations: 775 
+number of iterations: 773 
+    7920    95.622632       34           34  3.18404e-14          0.1    1.3736437   0.94931887    42.111822 
+number of iterations: 770 
+number of iterations: 767 
+number of iterations: 765 
+    8280    96.543372       36           36 3.3194447e-14          0.1    1.4607839    1.0099186    41.991306 
+number of iterations: 763 
+number of iterations: 760 
+number of iterations: 758 
+number of iterations: 756 
+    8640    97.738064       36           36 3.5089835e-14          0.1    1.5827632     1.094746    41.822613 
+number of iterations: 754 
+number of iterations: 752 
+number of iterations: 750 
+number of iterations: 747 
+    9000    98.823859       36           36 3.7093449e-14          0.1    1.7117078     1.184417    41.644293 
+number of iterations: 746 
+number of iterations: 744 
+number of iterations: 742 
+    9360     99.87762       36           36 3.8670886e-14          0.1    1.8132258    1.2550147    41.503905 
+number of iterations: 740 
+number of iterations: 738 
+number of iterations: 736 
+number of iterations: 738 
+    9720    101.09407       37           37 4.0878977e-14          0.1    1.9553302    1.3538369    41.307398 
+number of iterations: 737 
+number of iterations: 735 
+number of iterations: 733 
+   10080    102.13332       38           38 4.2617398e-14          0.1    2.0672086    1.4316395    41.152695 
+number of iterations: 735 
+number of iterations: 739 
+number of iterations: 742 
+number of iterations: 741 
+   10440    103.28226       49           49 4.5050832e-14          0.1    2.2238157    1.5405473    40.936158 
+number of iterations: 740 
+number of iterations: 739 
+number of iterations: 737 
+number of iterations: 736 
+   10800     104.4929       52           52 4.7623214e-14          0.1    2.3893646    1.6556738    40.707264 
+number of iterations: 735 
+number of iterations: 731 
+number of iterations: 729 
+   11160    105.34258       56           56 4.9648441e-14          0.1    2.5197005    1.7463124    40.527058 
+number of iterations: 728 
+number of iterations: 727 
+number of iterations: 727 
+number of iterations: 722 
+   11520    106.65689       60           60 5.2483345e-14          0.1    2.7021435    1.8731877    40.274812 
+number of iterations: 720 
+number of iterations: 719 
+number of iterations: 718 
+   11880    107.45165       61           61 5.4715254e-14          0.1    2.8457802    1.9730763    40.076221 
+number of iterations: 717 
+number of iterations: 716 
+number of iterations: 715 
+number of iterations: 714 
+   12240     108.6284       65           65 5.783947e-14          0.1    3.0468429    2.1128999    39.798242 
+number of iterations: 713 
+number of iterations: 712 
+number of iterations: 711 
+number of iterations: 710 
+   12600    109.81414       66           66 6.1142077e-14          0.1    3.2593874    2.2607076    39.504395 
+number of iterations: 709 
+number of iterations: 708 
+number of iterations: 707 
+   12960    110.67224       67           67 6.3742207e-14          0.1    3.4267236    2.3770762    39.273053 
+number of iterations: 706 
+number of iterations: 706 
+number of iterations: 705 
+number of iterations: 704 
+   13320    111.55084       70           70 6.7381858e-14          0.1    3.6609604    2.5399685    38.949229 
+number of iterations: 703 
+number of iterations: 702 
+number of iterations: 702 
+   13680    112.32114       72           72 7.0247342e-14          0.1    3.8453727    2.6682129    38.694288 
+number of iterations: 696 
+number of iterations: 694 
+number of iterations: 693 
+number of iterations: 692 
+   14040    113.10014       73           73 7.4258432e-14          0.1    4.1035158    2.8477294    38.337425 
+number of iterations: 695 
+number of iterations: 694 
+number of iterations: 694 
+number of iterations: 690 
+   14400     113.9466       76           76 7.8498554e-14          0.1    4.3764033    3.0374971    37.960186 
+number of iterations: 689 
+number of iterations: 688 
+number of iterations: 688 
+   14760    114.67911       76           76 8.1836786e-14          0.1    4.5912458    3.1869002    37.663195 
+number of iterations: 687 
+number of iterations: 684 
+number of iterations: 683 
+number of iterations: 683 
+   15120    115.54262       84           84 8.6509628e-14          0.1    4.8919805    3.3960337    37.247477 
+number of iterations: 682 
+number of iterations: 682 
+number of iterations: 686 
+   15480     116.1139       94           94 9.0188539e-14          0.1    5.1287533     3.560685    36.920179 
+number of iterations: 691 
+number of iterations: 691 
+number of iterations: 690 
+number of iterations: 688 
+   15840    116.90488      106          106 9.5338262e-14          0.1    5.4601894    3.7911641    36.462031 
+number of iterations: 688 
+number of iterations: 684 
+number of iterations: 683 
+number of iterations: 683 
+   16200    117.73788      114          114 1.0078203e-13          0.1    5.8105472    4.0348028    35.977736 
+number of iterations: 682 
+number of iterations: 682 
+number of iterations: 682 
+   16560    118.45556      117          117 1.0506789e-13          0.1    6.0863821    4.2266184    35.596461 
+number of iterations: 680 
+number of iterations: 674 
+number of iterations: 675 
+number of iterations: 673 
+   16920    119.20812      121          121 1.1106722e-13          0.1    6.4724951    4.4951209    35.062762 
+number of iterations: 672 
+number of iterations: 670 
+number of iterations: 670 
+   17280     119.8261      127          127 1.1579046e-13          0.1    6.7764801    4.7065118     34.64259 
+number of iterations: 669 
+number of iterations: 669 
+number of iterations: 668 
+number of iterations: 668 
+   17640    120.47424      134          134 1.2240204e-13          0.1    7.2019959    5.0024156    34.054446 
+number of iterations: 667 
+number of iterations: 668 
+number of iterations: 667 
+number of iterations: 666 
+   18000    121.16777      139          139 1.2939114e-13          0.1    7.6518092    5.3152155    33.432729 
+number of iterations: 666 
+number of iterations: 665 
+number of iterations: 665 
+   18360    121.84818      141          141 1.3489363e-13          0.1    8.0059456    5.5614818     32.94326 
+number of iterations: 664 
+number of iterations: 665 
+number of iterations: 664 
+number of iterations: 662 
+   18720     122.5697      144          144 1.4259598e-13          0.1    8.5016642    5.9062041    32.258115 
+number of iterations: 662 
+number of iterations: 661 
+number of iterations: 661 
+   19080    123.11954      150          150 1.4866002e-13          0.1    8.8919414    6.1776022    31.718714 
+number of iterations: 660 
+number of iterations: 660 
+number of iterations: 659 
+number of iterations: 660 
+   19440    123.85953      160          160 1.5714843e-13          0.1    9.4382473    6.5575031    30.963679 
+number of iterations: 659 
+number of iterations: 659 
+number of iterations: 658 
+number of iterations: 652 
+   19800    124.61101      167          167 1.6612153e-13          0.1    10.015748    6.9590953    30.165546 
+number of iterations: 655 
+number of iterations: 655 
+number of iterations: 652 
+   20160    125.26042      176          176 1.7318601e-13          0.1     10.47041    7.2752666    29.537192 
+number of iterations: 652 
+number of iterations: 650 
+number of iterations: 650 
+number of iterations: 648 
+   20520    125.99279      188          188 1.8307484e-13          0.1    11.106846    7.7178429     28.65763 
+number of iterations: 647 
+number of iterations: 647 
+number of iterations: 647 
+   20880    126.49922      203          203 1.9086027e-13          0.1    11.607912    8.0662825     27.96516 
+number of iterations: 646 
+number of iterations: 644 
+number of iterations: 644 
+number of iterations: 644 
+   21240    127.27501      220          220 2.0175829e-13          0.1      12.3093    8.5540256    26.995861 
+number of iterations: 644 
+number of iterations: 644 
+number of iterations: 643 
+number of iterations: 643 
+   21600    127.96017      234          234 2.1327857e-13          0.1    13.050732    9.0696175    25.971237 
+number of iterations: 643 
+number of iterations: 641 
+number of iterations: 638 
+   21960    128.54964      246          246 2.2234845e-13          0.1    13.634459    9.4755409    25.164566 
+number of iterations: 639 
+number of iterations: 639 
+number of iterations: 637 
+number of iterations: 636 
+   22320    129.34371      256          256 2.3504442e-13          0.1     14.45155    10.043748    24.035418 
+number of iterations: 636 
+number of iterations: 636 
+number of iterations: 636 
+   22680    129.91477      264          264 2.450399e-13          0.1    15.094844    10.491097    23.146453 
+number of iterations: 636 
+number of iterations: 635 
+number of iterations: 634 
+number of iterations: 633 
+   23040    130.74084      271          271 2.5903153e-13          0.1    15.995332    11.117294    21.902093 
+number of iterations: 633 
+number of iterations: 629 
+number of iterations: 629 
+number of iterations: 628 
+   23400    131.56841      280          280 2.7382206e-13          0.1    16.947245    11.779249    20.586692 
+number of iterations: 628 
+number of iterations: 629 
+number of iterations: 627 
+   23760    132.08168      296          296 2.8546659e-13          0.1    17.696683    12.300403    19.551099 
+number of iterations: 624 
+number of iterations: 622 
+number of iterations: 622 
+number of iterations: 623 
+   24120    132.83103      311          311 3.0176653e-13          0.1    18.745732    13.029909    18.101517 
+number of iterations: 620 
+number of iterations: 620 
+number of iterations: 620 
+   24480    133.49567      320          320 3.1459941e-13          0.1    19.571638    13.604245    16.960293 
+number of iterations: 619 
+number of iterations: 618 
+number of iterations: 619 
+number of iterations: 617 
+   24840    134.27166      338          338 3.3256279e-13          0.1    20.727739    14.408197    15.362837 
+number of iterations: 616 
+number of iterations: 616 
+number of iterations: 616 
+number of iterations: 616 
+   25200    135.11305      367          367 3.5155185e-13          0.1    21.949849    15.258054    13.674202 
+number of iterations: 615 
+number of iterations: 613 
+number of iterations: 610 
+   25560    135.84316      381          381 3.6650184e-13          0.1    22.912015    15.927142    12.344769 
+number of iterations: 608 
+number of iterations: 609 
+number of iterations: 610 
+number of iterations: 610 
+   25920    136.80271      408          408 3.8742873e-13          0.1     24.25885    16.863727    10.483876 
+number of iterations: 620 
+number of iterations: 645 
+number of iterations: 671 
+   26280    137.49384      432          432 4.0390435e-13          0.1    25.319208    17.601096    9.0188365 
+number of iterations: 699 
+number of iterations: 729 
+number of iterations: 761 
+number of iterations: 796 
+   26640    138.44622      460          460 4.2696675e-13          0.1    26.803475    18.633253    6.9681408 
+number of iterations: 836 
+number of iterations: 879 
+number of iterations: 927 
+number of iterations: 983 
+   27000    139.47672      485          485 4.513458e-13          0.1    28.372479    19.724337    4.8004251 
+number of iterations: 1094 
+number of iterations: 1209 
+number of iterations: 1327 
+   27360    140.45036      508          508 4.7053904e-13          0.1    29.607739    20.583334    3.0938658 
+number of iterations: 1454 
+number of iterations: 1599 
+number of iterations: 1775 
+number of iterations: 2096 
+   27720    142.16834      535          535 4.9740346e-13          0.1    31.336789    21.785709   0.70517608 
+number of iterations: 2815 
+number of iterations: 10072 
+Fix halt 10 condition met on step 27900 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 144.47 on 12 procs for 27900 steps with 540 atoms
+
+Performance: 166855440.927 tau/day, 193.120 timesteps/s
+48.4% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.024657   | 0.036048   | 0.056027   |   5.0 |  0.02
+Neigh   | 0.0048968  | 0.0083209  | 0.014983   |   3.3 |  0.01
+Comm    | 0.089234   | 0.32379    | 0.72709    |  35.0 |  0.22
+Output  | 1.9342     | 1.9356     | 1.9384     |   0.1 |  1.34
+Modify  | 140.89     | 141.28     | 141.54     |   1.6 | 97.79
+Other   |            | 0.8899     |            |       |  0.62
+
+Nlocal:    45 ave 135 max 0 min
+Histogram: 5 0 0 1 3 2 0 0 0 1
+Nghost:    8.66667 ave 16 max 0 min
+Histogram: 2 3 0 0 0 0 1 0 4 2
+Neighs:    74.75 ave 254 max 0 min
+Histogram: 5 0 1 1 3 1 0 0 0 1
+
+Total # of neighbors = 897
+Ave neighs/atom = 1.66111
+Neighbor list builds = 428
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 0.9
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_0.9
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_0.9
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 329743 
+number of iterations: 6156 
+number of iterations: 4528 
+     360    48.144251       11           11 1.107513e-14          0.1  0.040854797  0.023010574    43.955886 
+number of iterations: 3298 
+number of iterations: 2812 
+number of iterations: 2579 
+number of iterations: 2318 
+     720    50.372662       15           15 1.1692151e-14          0.1  0.085394436  0.054837987     43.89421 
+number of iterations: 2111 
+number of iterations: 1947 
+number of iterations: 1823 
+    1080    51.638639       16           16 1.2177373e-14          0.1   0.12042115  0.079865399    43.845714 
+number of iterations: 1727 
+number of iterations: 1645 
+number of iterations: 1579 
+number of iterations: 1522 
+    1440    53.038408       16           16 1.2855802e-14          0.1   0.16939672   0.11485765    43.777917 
+number of iterations: 1472 
+number of iterations: 1428 
+number of iterations: 1389 
+number of iterations: 1353 
+    1800    54.206669       16           16 1.3572029e-14          0.1   0.22110258    0.1517991    43.706346 
+number of iterations: 1321 
+number of iterations: 1292 
+number of iterations: 1265 
+    2160    55.189232       16           16 1.4135265e-14          0.1   0.26176469   0.18084955    43.650065 
+number of iterations: 1240 
+number of iterations: 1217 
+number of iterations: 1196 
+number of iterations: 1176 
+    2520    56.291626       16           16 1.4922773e-14          0.1   0.31861895   0.22146737    43.571377 
+number of iterations: 1159 
+number of iterations: 1142 
+number of iterations: 1127 
+    2880    57.080496       17           17 1.5542065e-14          0.1   0.36332932   0.25340889    43.509501 
+number of iterations: 1112 
+number of iterations: 1098 
+number of iterations: 1085 
+number of iterations: 1073 
+    3240    58.040438       18           18 1.6407949e-14          0.1   0.42584252   0.29806871    43.422992 
+number of iterations: 1061 
+number of iterations: 1050 
+number of iterations: 1039 
+number of iterations: 1029 
+    3600    59.048799       18           18 1.7322073e-14          0.1   0.49183858   0.34521646    43.331669 
+number of iterations: 1019 
+number of iterations: 1010 
+number of iterations: 1001 
+    3960    59.790892       18           18 1.8040935e-14          0.1   0.54373816   0.38229321    43.259856 
+number of iterations: 992 
+number of iterations: 984 
+number of iterations: 976 
+number of iterations: 969 
+    4320    60.662918       18           18 1.9046037e-14          0.1   0.61630417   0.43413338    43.159452 
+number of iterations: 962 
+number of iterations: 955 
+number of iterations: 948 
+    4680    61.378072       18           18 1.9836443e-14          0.1   0.67337024   0.47490022    43.080498 
+number of iterations: 942 
+number of iterations: 935 
+number of iterations: 929 
+number of iterations: 923 
+    5040    62.267754       18           18 2.0941577e-14          0.1   0.75315982   0.53189982    42.970111 
+number of iterations: 911 
+number of iterations: 905 
+number of iterations: 900 
+number of iterations: 860 
+    5400    63.226733       21           21 2.210828e-14          0.1   0.83739662   0.59207523    42.853576 
+number of iterations: 855 
+number of iterations: 851 
+number of iterations: 846 
+    5760    63.984081       23           23 2.3025769e-14          0.1   0.90363862   0.63939633    42.761946 
+number of iterations: 842 
+number of iterations: 838 
+number of iterations: 835 
+number of iterations: 831 
+    6120    64.759891       29           29 2.4308587e-14          0.1   0.99625712   0.70555939    42.633845 
+number of iterations: 827 
+number of iterations: 823 
+number of iterations: 816 
+    6480    65.385764       31           31 2.5317388e-14          0.1    1.0690915   0.75758941    42.533107 
+number of iterations: 812 
+number of iterations: 808 
+number of iterations: 805 
+number of iterations: 801 
+    6840    66.238653       31           31 2.6727878e-14          0.1    1.1709278   0.83033698    42.392261 
+number of iterations: 798 
+number of iterations: 795 
+number of iterations: 791 
+number of iterations: 788 
+    7200     67.02749       32           32 2.8216949e-14          0.1    1.2784378   0.90713751    42.243571 
+number of iterations: 785 
+number of iterations: 782 
+number of iterations: 780 
+    7560    67.657342       32           32 2.9387946e-14          0.1     1.362983   0.96753301    42.126646 
+number of iterations: 777 
+number of iterations: 774 
+number of iterations: 771 
+number of iterations: 769 
+    7920    68.502541       34           34 3.1025215e-14          0.1    1.4811933    1.0519771    41.963167 
+number of iterations: 766 
+number of iterations: 764 
+number of iterations: 761 
+    8280    69.030825       34           34 3.2312755e-14          0.1    1.5741548    1.1183836    41.834611 
+number of iterations: 759 
+number of iterations: 756 
+number of iterations: 754 
+number of iterations: 752 
+    8640    69.961886       36           36 3.4112972e-14          0.1    1.7041335    1.2112322    41.654871 
+number of iterations: 750 
+number of iterations: 747 
+number of iterations: 745 
+number of iterations: 743 
+    9000    70.859779       36           36 3.6013484e-14          0.1     1.841354    1.3092537    41.465121 
+number of iterations: 741 
+number of iterations: 739 
+number of iterations: 737 
+    9360    71.440878       36           36 3.7508035e-14          0.1    1.9492638    1.3863372    41.315907 
+number of iterations: 736 
+number of iterations: 734 
+number of iterations: 732 
+number of iterations: 730 
+    9720    72.221636       36           36 3.9597693e-14          0.1    2.1001418    1.4941143    41.107285 
+number of iterations: 729 
+number of iterations: 731 
+number of iterations: 729 
+   10080    72.880424       37           37 4.1240989e-14          0.1    2.2187932    1.5788702    40.943225 
+number of iterations: 727 
+number of iterations: 726 
+number of iterations: 724 
+number of iterations: 732 
+   10440    73.731776       43           43 4.3538618e-14          0.1    2.3846917    1.6973749    40.713845 
+number of iterations: 735 
+number of iterations: 733 
+number of iterations: 733 
+number of iterations: 732 
+   10800    74.405004       49           49 4.5964253e-14          0.1    2.5598366    1.8224826    40.471693 
+number of iterations: 730 
+number of iterations: 729 
+number of iterations: 728 
+   11160    75.048053       52           52 4.7871759e-14          0.1    2.6975704    1.9208668    40.281268 
+number of iterations: 727 
+number of iterations: 723 
+number of iterations: 721 
+number of iterations: 720 
+   11520    75.831954       57           57 5.0538804e-14          0.1    2.8901464    2.0584257    40.015024 
+number of iterations: 719 
+number of iterations: 719 
+number of iterations: 714 
+   11880     76.35603       61           61 5.2636153e-14          0.1    3.0415868    2.1666013    39.805653 
+number of iterations: 713 
+number of iterations: 712 
+number of iterations: 711 
+number of iterations: 710 
+   12240    77.193576       62           62 5.5568632e-14          0.1    3.2533296    2.3178508    39.512918 
+number of iterations: 709 
+number of iterations: 708 
+number of iterations: 707 
+number of iterations: 706 
+   12600    77.860534       65           65 5.8664487e-14          0.1    3.4768701    2.4775267    39.203882 
+number of iterations: 705 
+number of iterations: 704 
+number of iterations: 703 
+   12960    78.436443       66           66 6.1099049e-14          0.1    3.6526618    2.6030952     38.96086 
+number of iterations: 702 
+number of iterations: 701 
+number of iterations: 700 
+number of iterations: 699 
+   13320    79.229359       67           67 6.4503016e-14          0.1    3.8984522    2.7786633    38.621075 
+number of iterations: 698 
+number of iterations: 698 
+number of iterations: 697 
+   13680     79.77259       70           70 6.7179876e-14          0.1    4.0917404    2.9167291    38.353875 
+number of iterations: 696 
+number of iterations: 695 
+number of iterations: 694 
+number of iterations: 694 
+   14040    80.472027       72           72 7.0922619e-14          0.1    4.3619914    3.1097702    37.980287 
+number of iterations: 687 
+number of iterations: 687 
+number of iterations: 679 
+number of iterations: 679 
+   14400    81.207991       74           74 7.4873878e-14          0.1       4.6473    3.3135666    37.585888 
+number of iterations: 679 
+number of iterations: 679 
+number of iterations: 677 
+   14760    81.762382       76           76 7.7981126e-14          0.1    4.8716647    3.4738307     37.27574 
+number of iterations: 676 
+number of iterations: 676 
+number of iterations: 675 
+number of iterations: 674 
+   15120    82.548141       76           76 8.2325631e-14          0.1    5.1853683    3.6979096    36.842102 
+number of iterations: 674 
+number of iterations: 669 
+number of iterations: 668 
+   15480    83.092054       82           82 8.5742124e-14          0.1    5.4320604    3.8741235    36.501101 
+number of iterations: 668 
+number of iterations: 667 
+number of iterations: 667 
+number of iterations: 670 
+   15840    83.848515       95           95 9.0519011e-14          0.1    5.7769832    4.1205033    36.024325 
+number of iterations: 676 
+number of iterations: 676 
+number of iterations: 670 
+number of iterations: 671 
+   16200    84.614086      108          108 9.5562029e-14          0.1    6.1411308    4.3806117     35.52098 
+number of iterations: 671 
+number of iterations: 670 
+number of iterations: 666 
+   16560    85.135984      111          111 9.9527829e-14          0.1    6.4274941    4.5851593    35.125159 
+number of iterations: 665 
+number of iterations: 665 
+number of iterations: 666 
+number of iterations: 665 
+   16920    85.986569      117          117 1.0507275e-13          0.1    6.8278817    4.8711541     34.57174 
+number of iterations: 664 
+number of iterations: 665 
+number of iterations: 666 
+   17280    86.530667      121          121 1.0943324e-13          0.1    7.1427446    5.0960587    34.136542 
+number of iterations: 664 
+number of iterations: 664 
+number of iterations: 662 
+number of iterations: 660 
+   17640    87.265865      127          127 1.1553001e-13          0.1    7.5829788    5.4105163    33.528066 
+number of iterations: 659 
+number of iterations: 659 
+number of iterations: 658 
+number of iterations: 658 
+   18000    88.038143      133          133 1.2196645e-13          0.1    8.0477356    5.7424919     32.88571 
+number of iterations: 657 
+number of iterations: 658 
+number of iterations: 657 
+   18360    88.616068      137          137 1.2702802e-13          0.1    8.4132175    6.0035557    32.380571 
+number of iterations: 657 
+number of iterations: 657 
+number of iterations: 656 
+number of iterations: 656 
+   18720    89.389108      141          141 1.3410503e-13          0.1    8.9242287    6.3685711    31.674303 
+number of iterations: 656 
+number of iterations: 655 
+number of iterations: 655 
+   19080    89.974038      142          142 1.3967036e-13          0.1    9.3260856    6.6556171    31.118905 
+number of iterations: 655 
+number of iterations: 653 
+number of iterations: 653 
+number of iterations: 652 
+   19440    90.618913      148          148 1.474517e-13          0.1    9.8879579    7.0569605    30.342366 
+number of iterations: 652 
+number of iterations: 651 
+number of iterations: 651 
+number of iterations: 649 
+   19800    91.356822      158          158 1.5566656e-13          0.1    10.481137    7.4806646    29.522571 
+number of iterations: 649 
+number of iterations: 648 
+number of iterations: 647 
+   20160    92.105901      164          164 1.6212668e-13          0.1    10.947614    7.8138634    28.877894 
+number of iterations: 646 
+number of iterations: 642 
+number of iterations: 645 
+number of iterations: 645 
+   20520    92.830845      172          172 1.7115911e-13          0.1    11.599834    8.2797367    27.976528 
+number of iterations: 641 
+number of iterations: 640 
+number of iterations: 640 
+   20880    93.443879      182          182 1.7826216e-13          0.1    12.112736    8.6460965    27.267711 
+number of iterations: 639 
+number of iterations: 637 
+number of iterations: 636 
+number of iterations: 632 
+   21240    94.218447      195          195 1.8819353e-13          0.1    12.829861     9.158334    26.276673 
+number of iterations: 631 
+number of iterations: 629 
+number of iterations: 629 
+number of iterations: 629 
+   21600    94.882337      213          213 1.986782e-13          0.1    13.586934    9.6991081    25.230444 
+number of iterations: 627 
+number of iterations: 628 
+number of iterations: 628 
+   21960    95.497463      224          224 2.0692328e-13          0.1    14.182292     10.12437    24.407706 
+number of iterations: 627 
+number of iterations: 627 
+number of iterations: 626 
+number of iterations: 625 
+   22320    96.326179      242          242 2.1845142e-13          0.1    15.014708    10.718963     23.25739 
+number of iterations: 627 
+number of iterations: 628 
+number of iterations: 626 
+   22680    96.881964      252          252 2.2751708e-13          0.1    15.669309    11.186545    22.352809 
+number of iterations: 623 
+number of iterations: 623 
+number of iterations: 623 
+number of iterations: 623 
+   23040      97.6783      258          258 2.4019253e-13          0.1    16.584561    11.840312    21.088057 
+number of iterations: 623 
+number of iterations: 622 
+number of iterations: 622 
+number of iterations: 621 
+   23400    98.434017      267          267 2.5357416e-13          0.1    17.550809    12.530501    19.752859 
+number of iterations: 621 
+number of iterations: 618 
+number of iterations: 618 
+   23760    99.036134      277          277 2.6409739e-13          0.1    18.310668    13.073264    18.702877 
+number of iterations: 618 
+number of iterations: 618 
+number of iterations: 618 
+number of iterations: 618 
+   24120    99.801551      289          289 2.7881078e-13          0.1    19.373095    13.832146    17.234829 
+number of iterations: 618 
+number of iterations: 617 
+number of iterations: 618 
+   24480    100.41951      303          303 2.9038131e-13          0.1    20.208587    14.428928    16.080378 
+number of iterations: 616 
+number of iterations: 617 
+number of iterations: 615 
+number of iterations: 615 
+   24840    101.21536      311          311 3.0655901e-13          0.1     21.37676    15.263338     14.46627 
+number of iterations: 614 
+number of iterations: 614 
+number of iterations: 613 
+number of iterations: 609 
+   25200     102.0335      329          329 3.2363799e-13          0.1    22.610014    16.144234    12.762272 
+number of iterations: 610 
+number of iterations: 610 
+number of iterations: 610 
+   25560    102.73695      346          346 3.3706878e-13          0.1    23.579845    16.836968    11.422281 
+number of iterations: 610 
+number of iterations: 610 
+number of iterations: 610 
+number of iterations: 629 
+   25920    103.60159      372          372 3.5584744e-13          0.1    24.935832    17.805531     9.548784 
+number of iterations: 654 
+number of iterations: 681 
+number of iterations: 710 
+   26280    104.30808      387          387 3.7061483e-13          0.1    26.002171    18.567201    8.0755137 
+number of iterations: 743 
+number of iterations: 776 
+number of iterations: 814 
+number of iterations: 855 
+   26640    105.36388      414          414 3.9126226e-13          0.1    27.493093    19.632148    6.0156744 
+number of iterations: 904 
+number of iterations: 958 
+number of iterations: 1046 
+number of iterations: 1162 
+   27000    106.42324      443          443 4.1305975e-13          0.1    29.067051    20.756413     3.841171 
+number of iterations: 1277 
+number of iterations: 1400 
+number of iterations: 1536 
+   27360    107.45007      460          460 4.3020073e-13          0.1    30.304781    21.640513    2.1312364 
+number of iterations: 1697 
+number of iterations: 1921 
+number of iterations: 2422 
+number of iterations: 4297 
+Fix halt 10 condition met on step 27700 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 109.366 on 12 procs for 27700 steps with 490 atoms
+
+Performance: 218832291.343 tau/day, 253.278 timesteps/s
+56.2% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.022848   | 0.032769   | 0.049184   |   4.4 |  0.03
+Neigh   | 0.0046875  | 0.0075884  | 0.013055   |   2.8 |  0.01
+Comm    | 0.068027   | 0.25433    | 0.52953    |  29.8 |  0.23
+Output  | 1.8416     | 1.8422     | 1.8455     |   0.1 |  1.68
+Modify  | 106.34     | 106.61     | 106.81     |   1.4 | 97.48
+Other   |            | 0.6238     |            |       |  0.57
+
+Nlocal:    40.8333 ave 124 max 0 min
+Histogram: 5 0 0 1 3 2 0 0 0 1
+Nghost:    7.5 ave 15 max 0 min
+Histogram: 2 2 0 0 1 1 2 1 2 1
+Neighs:    63.5 ave 208 max 0 min
+Histogram: 5 0 1 1 3 1 0 0 0 1
+
+Total # of neighbors = 762
+Ave neighs/atom = 1.5551
+Neighbor list builds = 422
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio sucrose_atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+10 atoms in group CYANO
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.94e-6
+
+#variable used for sucrose export
+variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp ${sucRatio}#gflag 1
+fix kgm all kinetics/growth/monod sucexp 1.0
+fix g1 all kinetics/diffusion v_tol
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1 v_light <= 1e-19
+
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump		du1 all vtk 360 atom_*.vtu id type diameter x y z
+dump		du2 all grid 360 grid_%_*.vti con
+dump        du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+shell mkdir Sucrose_${sucRatio}
+shell mkdir Sucrose_1.0
+shell cd Sucrose_${sucRatio}
+shell cd Sucrose_1.0
+run 35000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11 | 11.75 | 12.13 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       10           10 1.0633829e-14          0.1        0.009        1e-20           44 
+number of iterations: 329743 
+number of iterations: 6155 
+number of iterations: 4526 
+     360    46.496154       11           11 1.1064224e-14          0.1  0.043613428  0.025558922     43.95207 
+number of iterations: 3296 
+number of iterations: 2811 
+number of iterations: 2577 
+number of iterations: 2317 
+     720     48.82548       15           15 1.1665304e-14          0.1  0.091954288  0.060870293    43.885136 
+number of iterations: 2109 
+number of iterations: 1945 
+number of iterations: 1821 
+    1080    50.290693       16           16 1.2137447e-14          0.1   0.12992678   0.08860548    43.832567 
+number of iterations: 1725 
+number of iterations: 1644 
+number of iterations: 1577 
+number of iterations: 1520 
+    1440    51.848387       16           16 1.2796831e-14          0.1   0.18296011   0.12733899    43.759157 
+number of iterations: 1471 
+number of iterations: 1426 
+number of iterations: 1387 
+number of iterations: 1351 
+    1800    53.268335       16           16 1.3492037e-14          0.1   0.23887646    0.1681764    43.681763 
+number of iterations: 1319 
+number of iterations: 1290 
+number of iterations: 1263 
+    2160    54.275792       16           16 1.4038116e-14          0.1   0.28279935    0.2002538    43.620973 
+number of iterations: 1238 
+number of iterations: 1215 
+number of iterations: 1194 
+number of iterations: 1174 
+    2520    55.497991       16           16 1.4800756e-14          0.1   0.34414218   0.24505222    43.536078 
+number of iterations: 1157 
+number of iterations: 1140 
+number of iterations: 1124 
+    2880    56.392471       16           16 1.5399804e-14          0.1    0.3923274   0.28024105    43.469396 
+number of iterations: 1110 
+number of iterations: 1096 
+number of iterations: 1082 
+number of iterations: 1070 
+    3240    57.490945       17           17 1.623642e-14          0.1   0.45962139   0.32938444    43.376278 
+number of iterations: 1059 
+number of iterations: 1047 
+number of iterations: 1037 
+number of iterations: 1026 
+    3600    58.562987       18           18 1.7118486e-14          0.1   0.53057102   0.38119738    43.278107 
+number of iterations: 1017 
+number of iterations: 1007 
+number of iterations: 998 
+    3960    59.348343       18           18 1.7811343e-14          0.1   0.58630216    0.4218961    43.200997 
+number of iterations: 990 
+number of iterations: 982 
+number of iterations: 974 
+number of iterations: 966 
+    4320    60.402568       18           18 1.8778968e-14          0.1   0.66413575   0.47873493    43.093311 
+number of iterations: 959 
+number of iterations: 952 
+number of iterations: 945 
+    4680    61.357802       18           18 1.9539032e-14          0.1    0.7252741   0.52338147    43.008728 
+number of iterations: 939 
+number of iterations: 932 
+number of iterations: 926 
+number of iterations: 921 
+    5040    62.452816       18           18 2.0600517e-14          0.1   0.81065914   0.58573374    42.890605 
+number of iterations: 915 
+number of iterations: 902 
+number of iterations: 897 
+number of iterations: 892 
+    5400    63.555858       19           19 2.1719668e-14          0.1   0.90068523   0.65147378    42.766066 
+number of iterations: 852 
+number of iterations: 847 
+number of iterations: 843 
+    5760    64.315679       22           22 2.2598754e-14          0.1   0.97139841   0.70311147    42.668254 
+number of iterations: 838 
+number of iterations: 834 
+number of iterations: 830 
+number of iterations: 828 
+    6120    65.250196       27           27 2.3826462e-14          0.1    1.0701556   0.77522725    42.531662 
+number of iterations: 823 
+number of iterations: 819 
+number of iterations: 816 
+    6480     65.99649       29           29 2.4790819e-14          0.1    1.1477291   0.83187331    42.424371 
+number of iterations: 809 
+number of iterations: 805 
+number of iterations: 801 
+number of iterations: 798 
+    6840    66.906762       31           31 2.6137614e-14          0.1    1.2560662   0.91098354    42.274539 
+number of iterations: 794 
+number of iterations: 791 
+number of iterations: 788 
+number of iterations: 785 
+    7200    67.776552       31           31 2.7557576e-14          0.1    1.3702894   0.99439158    42.116571 
+number of iterations: 782 
+number of iterations: 779 
+number of iterations: 776 
+    7560    68.517402       32           32 2.8672946e-14          0.1    1.4600109     1.059908     41.99249 
+number of iterations: 773 
+number of iterations: 770 
+number of iterations: 767 
+number of iterations: 765 
+    7920    69.323503       32           32 3.0230644e-14          0.1    1.5853138    1.1514066    41.819208 
+number of iterations: 762 
+number of iterations: 760 
+number of iterations: 757 
+    8280    69.959319       34           34 3.1454204e-14          0.1    1.6837394    1.2232782    41.683099 
+number of iterations: 755 
+number of iterations: 752 
+number of iterations: 750 
+number of iterations: 748 
+    8640    70.787226       36           36 3.3162997e-14          0.1    1.8212001    1.3236524    41.493017 
+number of iterations: 746 
+number of iterations: 743 
+number of iterations: 741 
+number of iterations: 739 
+    9000    71.489249       36           36 3.4964623e-14          0.1    1.9661297    1.4294796    41.292614 
+number of iterations: 737 
+number of iterations: 735 
+number of iterations: 733 
+    9360    72.135324       36           36 3.6379787e-14          0.1    2.0799712    1.5126062    41.135204 
+number of iterations: 731 
+number of iterations: 730 
+number of iterations: 728 
+number of iterations: 726 
+    9720    72.872926       36           36 3.8356169e-14          0.1    2.2389598    1.6286987    40.915376 
+number of iterations: 724 
+number of iterations: 722 
+number of iterations: 721 
+   10080    73.407923       36           36 3.9908603e-14          0.1    2.3638445    1.7198886    40.742706 
+number of iterations: 719 
+number of iterations: 721 
+number of iterations: 720 
+number of iterations: 718 
+   10440    74.099403       38           38 4.2076692e-14          0.1    2.5382547     1.847242    40.501569 
+number of iterations: 717 
+number of iterations: 719 
+number of iterations: 723 
+number of iterations: 726 
+   10800    74.893264       46           46 4.4362566e-14          0.1    2.7221415    1.9815147    40.247336 
+number of iterations: 726 
+number of iterations: 724 
+number of iterations: 723 
+   11160    75.532546       49           49 4.6158104e-14          0.1    2.8665812    2.0869848    40.047648 
+number of iterations: 722 
+number of iterations: 720 
+number of iterations: 719 
+number of iterations: 718 
+   11520    76.248978       52           52 4.8665707e-14          0.1    3.0683041    2.2342822    39.768766 
+number of iterations: 714 
+number of iterations: 713 
+number of iterations: 712 
+   11880    76.897393       57           57 5.063541e-14          0.1    3.2267567    2.3499837    39.549704 
+number of iterations: 711 
+number of iterations: 711 
+number of iterations: 712 
+number of iterations: 711 
+   12240    77.654849       61           61 5.3386248e-14          0.1    3.4480477    2.5115695     39.24377 
+number of iterations: 710 
+number of iterations: 708 
+number of iterations: 707 
+number of iterations: 707 
+   12600     78.38988       64           64 5.6286529e-14          0.1    3.6813609    2.6819337    38.921223 
+number of iterations: 706 
+number of iterations: 705 
+number of iterations: 704 
+   12960    78.985061       65           65 5.8564679e-14          0.1    3.8646273    2.8157536     38.66787 
+number of iterations: 703 
+number of iterations: 702 
+number of iterations: 701 
+number of iterations: 701 
+   13320    79.735329       66           66 6.1746285e-14          0.1    4.1205734    3.0026434    38.314047 
+number of iterations: 700 
+number of iterations: 700 
+number of iterations: 699 
+   13680    80.244948       67           67 6.4245414e-14          0.1    4.3216186    3.1494442    38.036125 
+number of iterations: 698 
+number of iterations: 697 
+number of iterations: 696 
+number of iterations: 696 
+   14040    81.042558       71           71 6.7735634e-14          0.1    4.6023923    3.3544624    37.647994 
+number of iterations: 695 
+number of iterations: 694 
+number of iterations: 693 
+number of iterations: 686 
+   14400    81.842521       73           73 7.1415464e-14          0.1    4.8984183    3.5706184    37.238784 
+number of iterations: 686 
+number of iterations: 685 
+number of iterations: 684 
+   14760    82.368754       73           73 7.4305944e-14          0.1    5.1309481    3.7404081    36.917352 
+number of iterations: 686 
+number of iterations: 686 
+number of iterations: 685 
+number of iterations: 682 
+   15120    83.153417       76           76 7.8342715e-14          0.1    5.4556967    3.9775328    36.468452 
+number of iterations: 681 
+number of iterations: 680 
+number of iterations: 680 
+   15480    83.681315       76           76 8.151357e-14          0.1    5.7107829    4.1637922    36.115851 
+number of iterations: 679 
+number of iterations: 675 
+number of iterations: 674 
+number of iterations: 673 
+   15840    84.438595       82           82 8.5941905e-14          0.1    6.0670322     4.423918    35.623421 
+number of iterations: 673 
+number of iterations: 673 
+number of iterations: 672 
+number of iterations: 675 
+   16200    85.157024       95           95 9.0610814e-14          0.1    6.4426419    4.6981769    35.104237 
+number of iterations: 681 
+number of iterations: 675 
+number of iterations: 670 
+   16560    85.702607      103          103 9.427821e-14          0.1    6.7376868    4.9136067     34.69642 
+number of iterations: 671 
+number of iterations: 670 
+number of iterations: 668 
+number of iterations: 667 
+   16920    86.479459      111          111     9.94e-14          0.1    7.1497393    5.2144707    34.126879 
+number of iterations: 667 
+number of iterations: 667 
+number of iterations: 666 
+   17280    87.093246      115          115 1.0342313e-13          0.1    7.4734032    5.4507972    33.679516 
+number of iterations: 666 
+number of iterations: 665 
+number of iterations: 664 
+number of iterations: 664 
+   17640    87.759252      120          120 1.0904173e-13          0.1    7.9254235    5.7808446    33.054751 
+number of iterations: 662 
+number of iterations: 662 
+number of iterations: 660 
+number of iterations: 657 
+   18000    88.568937      127          127 1.1496556e-13          0.1    8.4019966    6.1288211    32.396062 
+number of iterations: 657 
+number of iterations: 656 
+number of iterations: 656 
+   18360    89.157568      132          132 1.196187e-13          0.1    8.7763379    6.4021531    31.878681 
+number of iterations: 655 
+number of iterations: 655 
+number of iterations: 655 
+number of iterations: 655 
+   18720    89.850925      136          136 1.2611714e-13          0.1    9.2991333    6.7838818     31.15613 
+number of iterations: 655 
+number of iterations: 653 
+number of iterations: 653 
+   19080    90.462609      140          140 1.3122162e-13          0.1    9.7097872    7.0837274    30.588576 
+number of iterations: 653 
+number of iterations: 652 
+number of iterations: 652 
+number of iterations: 652 
+   19440    91.137401      142          142 1.3835041e-13          0.1    10.283295    7.5024838    29.795959 
+number of iterations: 652 
+number of iterations: 649 
+number of iterations: 649 
+number of iterations: 649 
+   19800    91.924532      147          147 1.4586647e-13          0.1    10.887961    7.9439901    28.960292 
+number of iterations: 648 
+number of iterations: 648 
+number of iterations: 647 
+   20160    92.588112      153          153 1.5177029e-13          0.1    11.362922    8.2907895    28.303894 
+number of iterations: 647 
+number of iterations: 646 
+number of iterations: 646 
+number of iterations: 646 
+   20520    93.302312      163          163 1.600154e-13          0.1    12.026234    8.7751191    27.387206 
+number of iterations: 645 
+number of iterations: 644 
+number of iterations: 641 
+   20880    93.875856      167          167 1.6649188e-13          0.1    12.547263    9.1555564    26.667163 
+number of iterations: 642 
+number of iterations: 643 
+number of iterations: 640 
+number of iterations: 641 
+   21240    94.688132      178          178 1.7553676e-13          0.1    13.274918    9.6868653    25.661583 
+number of iterations: 637 
+number of iterations: 637 
+number of iterations: 636 
+number of iterations: 635 
+   21600    95.380776      193          193 1.8507302e-13          0.1    14.042104    10.247039    24.601388 
+number of iterations: 635 
+number of iterations: 631 
+number of iterations: 632 
+   21960     95.97358      204          204 1.9256368e-13          0.1    14.644728    10.687052     23.76862 
+number of iterations: 630 
+number of iterations: 630 
+number of iterations: 631 
+number of iterations: 630 
+   22320    96.777501      221          221 2.0302493e-13          0.1    15.486329    11.301562    22.605622 
+number of iterations: 630 
+number of iterations: 631 
+number of iterations: 630 
+   22680    97.346969      232          232 2.1124217e-13          0.1    16.147394    11.784252    21.692118 
+number of iterations: 630 
+number of iterations: 630 
+number of iterations: 627 
+number of iterations: 625 
+   23040    98.125825      246          246 2.2271816e-13          0.1     17.07062    12.458362    20.416362 
+number of iterations: 625 
+number of iterations: 625 
+number of iterations: 622 
+number of iterations: 622 
+   23400    98.988641      256          256 2.3481758e-13          0.1    18.043998    13.169093    19.071324 
+number of iterations: 622 
+number of iterations: 621 
+number of iterations: 621 
+   23760    99.533434      262          262 2.4432159e-13          0.1    18.808583    13.727368     18.01482 
+number of iterations: 620 
+number of iterations: 620 
+number of iterations: 619 
+number of iterations: 618 
+   24120    100.47952      271          271 2.5759463e-13          0.1    19.876393    14.507042    16.539347 
+number of iterations: 617 
+number of iterations: 615 
+number of iterations: 615 
+   24480    101.13575      279          279 2.680205e-13          0.1    20.715153     15.11947    15.380391 
+number of iterations: 615 
+number of iterations: 615 
+number of iterations: 616 
+number of iterations: 613 
+   24840    101.91225      294          294 2.8258098e-13          0.1    21.886548    15.974772    13.761844 
+number of iterations: 613 
+number of iterations: 611 
+number of iterations: 607 
+number of iterations: 608 
+   25200    102.69932      310          310 2.9793246e-13          0.1    23.121578    16.876537    12.055405 
+number of iterations: 608 
+number of iterations: 608 
+number of iterations: 606 
+   25560    103.40311      315          315 3.0999091e-13          0.1    24.091684    17.584867    10.715038 
+number of iterations: 607 
+number of iterations: 613 
+number of iterations: 636 
+number of iterations: 660 
+   25920    104.26835      331          331 3.268314e-13          0.1    25.446508    18.574101    8.8431629 
+number of iterations: 687 
+number of iterations: 718 
+number of iterations: 750 
+   26280    104.92926      348          348 3.4005943e-13          0.1    26.510711    19.351135    7.3728598 
+number of iterations: 785 
+number of iterations: 823 
+number of iterations: 865 
+number of iterations: 913 
+   26640    105.95691      374          374 3.5853325e-13          0.1     27.99693    20.436311     5.319539 
+number of iterations: 967 
+number of iterations: 1058 
+number of iterations: 1174 
+number of iterations: 1290 
+   27000    107.06792      398          398 3.7801039e-13          0.1    29.563871    21.580427    3.1547667 
+number of iterations: 1413 
+number of iterations: 1551 
+number of iterations: 1715 
+   27360    108.20982      420          420 3.9330891e-13          0.1    30.794652    22.479096    1.4544459 
+number of iterations: 1954 
+number of iterations: 2495 
+number of iterations: 4969 
+Fix halt 10 condition met on step 27600 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 109.943 on 12 procs for 27600 steps with 442 atoms
+
+Performance: 216897023.795 tau/day, 251.038 timesteps/s
+55.3% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.022968   | 0.0321     | 0.047105   |   4.1 |  0.03
+Neigh   | 0.004382   | 0.0070604  | 0.012021   |   2.7 |  0.01
+Comm    | 0.072794   | 0.25039    | 0.5542     |  30.1 |  0.23
+Output  | 1.8497     | 1.8502     | 1.853      |   0.1 |  1.68
+Modify  | 106.81     | 107.11     | 107.3      |   1.4 | 97.42
+Other   |            | 0.6928     |            |       |  0.63
+
+Nlocal:    36.8333 ave 111 max 0 min
+Histogram: 5 0 0 1 3 2 0 0 0 1
+Nghost:    6.91667 ave 12 max 0 min
+Histogram: 2 1 0 1 1 1 0 0 3 3
+Neighs:    55.1667 ave 178 max 0 min
+Histogram: 5 0 1 1 2 2 0 0 0 1
+
+Total # of neighbors = 662
+Ave neighs/atom = 1.49774
+Neighbor list builds = 403
+Dangerous builds = 0
+shell cd ..
+clear
+next sucRatio
+jump SELF
+Total wall time: 0:20:06
diff --git a/examples/axenic-cyanobacteria/sucrose and growth CSCB-SPS.xlsx b/examples/axenic-cyanobacteria/sucrose and growth CSCB-SPS.xlsx
new file mode 100755
index 000000000..8a86a4713
Binary files /dev/null and b/examples/axenic-cyanobacteria/sucrose and growth CSCB-SPS.xlsx differ
diff --git a/examples/axenic-cyanobacteria/sucrose_atom.in b/examples/axenic-cyanobacteria/sucrose_atom.in
new file mode 100755
index 000000000..1ba24342e
--- /dev/null
+++ b/examples/axenic-cyanobacteria/sucrose_atom.in
@@ -0,0 +1,61 @@
+ NUFEB Simulation
+
+     10 atoms
+     1 atom types
+     4 nutrients
+
+  0.0e-4   1.00e-04  xlo xhi
+  0.0e-4   1.00e-04  ylo yhi
+  0.0e-4   1.00e-05  zlo zhi
+
+ Atoms
+
+     1 1 1.90e-06  357 4.16e-05 8.37e-05 2.78e-06 1.90e-06
+     2 1 1.89e-06  357 3.37e-05 6.24e-05 4.01e-06 1.89e-06
+     3 1 1.93e-06  357 4.23e-05 9.16e-05 3.45e-06 1.93e-06
+     4 1 1.69e-06  357 2.04e-05 6.11e-05 6.00e-06 1.69e-06
+     5 1 1.89e-06  357 2.03e-05 6.34e-06 2.30e-06 1.89e-06
+     6 1 1.87e-06  357 6.38e-05 2.52e-05 7.97e-06 1.87e-06
+     7 1 1.46e-06  357 5.08e-06 5.99e-05 5.37e-06 1.46e-06
+     8 1 1.72e-06  357 8.57e-05 7.66e-05 4.32e-06 1.72e-06
+     9 1 1.41e-06  357 7.38e-05 6.45e-05 6.53e-06 1.41e-06
+     10 1 1.91e-06  357 9.10e-05 4.93e-05 3.04e-06 1.91e-06
+
+ Nutrients
+
+     1 sub g nn nn nn 1.00e-01 1.00e-01
+     2 o2 l nn nn nn 9.00e-03 9.00e-03
+     3 suc l nn nn nn 1.00e-20 1.00e-20
+     4 co2 l nn nn nn 4.40e+01 4.40e+01
+
+ Type Name
+
+     1 cyano
+
+ Diffusion Coeffs
+
+     sub 0
+     o2 2.3e-09
+     suc 5.2e-10
+     co2 1.9e-09
+
+
+ Growth Rate
+
+     cyano 1.67e-05
+
+ Ks
+
+     cyano 0.00035 0.0002 0.01 0.000138
+
+ Yield
+
+     cyano 0.55
+
+ Maintenance
+
+     cyano 0
+
+ Decay
+
+     cyano 0
diff --git a/examples/axenic-cyanobacteria/sucrosegradient.png b/examples/axenic-cyanobacteria/sucrosegradient.png
new file mode 100755
index 000000000..5f12537c1
Binary files /dev/null and b/examples/axenic-cyanobacteria/sucrosegradient.png differ
diff --git a/examples/axenic-cyanobacteria/sucroseovertime.png b/examples/axenic-cyanobacteria/sucroseovertime.png
new file mode 100755
index 000000000..957a48ea1
Binary files /dev/null and b/examples/axenic-cyanobacteria/sucroseovertime.png differ
diff --git a/examples/biofilm-anammox/Allclean.sh b/examples/axenic-ecw/Allclean.sh
similarity index 100%
rename from examples/biofilm-anammox/Allclean.sh
rename to examples/axenic-ecw/Allclean.sh
diff --git a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/Inputscript.lammps b/examples/axenic-ecw/Inputscript.lammps
old mode 100644
new mode 100755
similarity index 54%
rename from examples/PAPER-NUFEB-TOOL/c1-deform-growth/Inputscript.lammps
rename to examples/axenic-ecw/Inputscript.lammps
index 144e82402..57c210c8f
--- a/examples/PAPER-NUFEB-TOOL/c1-deform-growth/Inputscript.lammps
+++ b/examples/axenic-ecw/Inputscript.lammps
@@ -1,7 +1,7 @@
 # NUFEB simulation
 
 atom_style	bio
-atom_modify	map array sort 100 5.0e-7
+atom_modify	map array sort 1000 5.0e-7
 boundary	pp pp ff
 newton		off
 processors  * * 1
@@ -9,8 +9,28 @@ processors  * * 1
 comm_modify	vel yes
 read_data_bio atom.in
 
-group HET type 1
-group EPS type 2
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+region reg block 0 1000 0 1000 0 100
+create_atoms 1 random 10 3124 reg
+create_atoms 2 random 1 56151 reg
+
+
+set type 1 density 1.3e3
+set type 1 diameter 8.8e-7
+set type 1 mass 5.1e-15
+
+set type 2 density 1.3e3
+set type 2 diameter 1.55e-6
+set type 2 mass 5.1e-15
+
+
+
+group ECW type 1
+group DEAD type 2
+
+
 
 neighbor	5e-7 bin
 neigh_modify	delay 0 one 5000
@@ -29,7 +49,10 @@ fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-04
 
 variable kanc equal 50
 
-fix zwa all walladh v_kanc zplane  0.0  1e-04
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
 
 ##############Define IBm Variables##############
 
@@ -38,57 +61,42 @@ variable EPSdens equal 30
 variable EPSratio equal 1.3
 
 #variables used in fix division
-variable divDia equal 1.36e-6
+variable divDia equal 1.04e-6
 
-#variables used in fix kinetics 
+#variables used in fix kinetics
 variable diffT equal 1e-4
 variable tol equal 1e-6
+variable etaHET equal 0.6
 variable layer equal -1
 
 #variables used in fix death
-variable deadDia equal 9e-7
+variable deadDia equal 4e-7
 
 
 ##############Define IBm Commands##############
 
-fix k1 all kinetics 100 25 10 25 v_diffT v_layer niter -1
-fix kgm all kinetics/growth/monod epsdens 30
-fix g1 all kinetics/diffusion v_tol 
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 5000
+fix kgm all kinetics/growth/monod gflag 1
+fix g1 all kinetics/diffusion v_tol pp pp nn#kg dcflag 2
 fix d1 all divide 100 v_EPSdens v_divDia 64564
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 53453
+fix d2 all death 100 v_deadDia
+
 
 ##############Define IBm Computes##############
 
 compute myNtypes all ntypes
-compute myPressure all pressure thermo_temp
+compute myMass all biomass
+compute myCon all avg_con
 
 ##############Simulation Output##############
 
 dump		id all custom 1000 output.lammmps id type diameter x y z
 dump		du1 all vtk 1000 atom_*.vtu id type diameter x y z
 dump		du2 all grid 1000 grid_%_*.vti con
-thermo_style    custom step cpu atoms c_myNtypes[*] c_myPressure
+dump            du3 all bio 100 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[2]
 thermo		100
 thermo_modify	lost ignore
 
-run 80000
-
-timestep 2.5
-
-unfix k1
-unfix kgm
-unfix g1
-unfix d1
-unfix e1
-
-set type 1 mass 5.24e-16
-set type 1 diameter 1e-6
-
-set type 2 mass 2.6e-16
-set type 2 diameter 1e-6
-
-restart 100000 restart
-
-run 20000
-
 
+run 10000
diff --git a/examples/axenic-ecw/atom.in b/examples/axenic-ecw/atom.in
new file mode 100755
index 000000000..887315e24
--- /dev/null
+++ b/examples/axenic-ecw/atom.in
@@ -0,0 +1,56 @@
+ NUFEB Simulation

+
+     0 atoms
+     2 atom types
+     3 nutrients
+
+  0.0e-4   1.00e-04  xlo xhi
+  0.0e-4   1.00e-04  ylo yhi
+  0.0e-4   1.00e-05  zlo zhi
+
+ Atoms
+
+ Nutrients
+
+     1 o2 g 9e-3 9e-3 9e-3 9e-3 9e-3 9e-3 9e-3
+     2 suc l 3.4 3.4 3.4 3.4 3.4 3.4 3.4
+     3 co2 l 1.00e-01 1.00e-01 1.00e-01 1.00e-01 1.00e-01 1.00e-01 1.00e-01
+ Type Name
+
+     1 ecw
+     2 dead
+
+ Diffusion Coeffs
+
+     o2 2.3e-09
+     suc 5.2e-10
+     co2 1.9e-09
+
+ Ks
+
+     ecw 1e-3 1e-01 5e-02
+     dead 0 0 0
+
+ Growth Rate
+
+     ecw 2.7e-04
+     dead 0
+
+
+
+ Yield
+
+     ecw 0.43
+     dead 0
+
+
+ Maintenance
+
+     ecw 2.7e-8
+     dead 0
+
+
+ Decay
+
+     ecw 2e-5
+     dead 0
diff --git a/examples/axenic-ecw/lammps_job.slurm b/examples/axenic-ecw/lammps_job.slurm
new file mode 100755
index 000000000..22fb9cfdf
--- /dev/null
+++ b/examples/axenic-ecw/lammps_job.slurm
@@ -0,0 +1,33 @@
+#!/bin/bash -l
+#SBATCH -J sample_job
+#SBATCH -p high_mem
+#SBATCH --nodes 2
+#SBATCH --ntasks-per-node 32
+#SBATCH --cpus-per-task 1
+#SBATCH --exclusive
+#SBATCH --mem=100g
+#SBATCH -A cnms
+#SBATCH -t 00:30:00
+
+#launch from a fresh shell with the following loaded
+
+#module load env/cades-cnms
+#. $SOFTWARECNMS/spack/share/spack/setup-env.sh
+#spack load openmpi/qnfab5m
+#spack load vtk%gcc@8.2.0
+
+# The job shell will inherit this, somehow modules are messed up
+# in the slurm script shell so you don't get what you
+# want if you load here in the script.
+
+export OMP_NUM_THREADS=1
+
+
+export LAMMPS=/lustre/or-hydra/cades-cnms/12x/NUFEB/lammps/src/lmp_mpi
+module list
+printenv
+ldd $LAMMPS
+
+echo "srun $LAMMPS -in Inputscript.lammps"
+
+srun $LAMMPS -in Inputscript.lammps
diff --git a/examples/axenic-ecw/log.lammps b/examples/axenic-ecw/log.lammps
new file mode 100755
index 000000000..2a50d3043
--- /dev/null
+++ b/examples/axenic-ecw/log.lammps
@@ -0,0 +1,364 @@
+LAMMPS (20 Nov 2019)
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	pp pp ff
+newton		off
+processors  * * 1
+
+comm_modify	vel yes
+read_data_bio atom.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  4 by 3 by 1 MPI processor grid
+  reading atoms ...
+  0 atoms
+  3 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+create_atoms 1 random 10 3124 reg
+Created 10 atoms
+  create_atoms CPU = 0.0001895 secs
+create_atoms 2 random 1 56151 reg
+Created 1 atoms
+  create_atoms CPU = 0.0002613 secs
+
+
+set type 1 density 1.3e3
+  10 settings made for density
+set type 1 diameter 8.8e-7
+  10 settings made for diameter
+set type 1 mass 5.1e-15
+  10 settings made for mass
+
+set type 2 density 1.3e3
+  1 settings made for density
+set type 2 diameter 1.55e-6
+  1 settings made for diameter
+set type 2 mass 5.1e-15
+  1 settings made for mass
+
+
+
+group ECW type 1
+10 atoms in group ECW
+group DEAD type 2
+1 atoms in group DEAD
+
+
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-04
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia equal 1.04e-6
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-6
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+variable deadDia equal 4e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 5000
+fix kgm all kinetics/growth/monod gflag 1
+fix g1 all kinetics/diffusion v_tol closedflag 1
+fix d1 all divide 100 v_EPSdens v_divDia 64564
+fix d2 all death 100 v_deadDia
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+##############Simulation Output##############
+
+#dump		id all custom 1000 output.lammmps id type diameter x y z
+#dump		du1 all vtk 1000 atom_*.vtu id type diameter x y z
+#dump		du2 all grid 1000 grid_%_*.vti con
+dump            du3 all bio 100 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[2] c_myMass[*] c_myCon[*]
+thermo		100
+thermo_modify	lost ignore
+
+
+run 10000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.05e-06
+  ghost atom cutoff = 2.05e-06
+  binsize = 1.025e-06, bins = 98 98 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 10.52 | 10.6 | 10.65 Mbytes
+Step CPU Atoms c_myNtypes[2] c_myMass[1] c_myMass[2] c_myMass[3] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       11           10     5.61e-14      5.1e-14      5.1e-15            0          0.9           40          0.1 
+number of iterations: 1 
+     100    0.0046801       11           10 6.9820416e-14 6.4720416e-14      5.1e-15            0          0.9           40          0.1 
+number of iterations: 1 
+     200    0.0091469       11           10 8.7231656e-14 8.2131656e-14      5.1e-15            0          0.9    39.680921   0.41907944 
+number of iterations: 1 
+     300    0.0132078       11           10 1.0932634e-13 1.0422634e-13      5.1e-15            0          0.9    39.276008   0.82399199 
+number of iterations: 1 
+     400    0.0168369       21           20 1.3736388e-13 1.3226388e-13      5.1e-15            0          0.9    38.762178    1.3378218 
+number of iterations: 1 
+     500    0.0207904       21           20 1.7294214e-13 1.6784214e-13      5.1e-15            0          0.9    38.110142    1.9898577 
+number of iterations: 1 
+     600    0.0247946       24           23 2.1808813e-13 2.1298813e-13      5.1e-15            0          0.9    37.282741     2.817259 
+number of iterations: 1 
+     700    0.0280761       41           40 2.7537299e-13 2.7027299e-13      5.1e-15            0          0.9    36.232834    3.8671657 
+number of iterations: 1 
+     800    0.0321579       41           40 3.4805745e-13 3.4295745e-13      5.1e-15            0          0.9    34.900628    5.1993719 
+number of iterations: 1 
+     900    0.0352999       64           63 4.4027551e-13 4.3517551e-13      5.1e-15            0          0.9    33.210292    6.8897081 
+number of iterations: 1 
+    1000    0.0385941       81           80 5.572659e-13 5.521659e-13      5.1e-15            0          0.9    31.065686    9.0343141 
+number of iterations: 1 
+    1100    0.0421656       82           81 7.0566169e-13 7.0056169e-13      5.1e-15            0          0.9    28.344979    11.755021 
+number of iterations: 1 
+    1200    0.0454228      125          124 8.9384746e-13 8.8874746e-13      5.1e-15            0          0.9    24.893914    15.206086 
+number of iterations: 1 
+    1300    0.0499175      161          160 1.1323804e-12 1.1272804e-12      5.1e-15            0          0.9    20.517501    19.582499 
+number of iterations: 1 
+    1400    0.0558444      184          183 1.4343908e-12 1.4292908e-12      5.1e-15            0          0.9    14.970224    25.129776 
+number of iterations: 1 
+    1500    0.0657983      247          246 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9    7.9467247    32.153275 
+number of iterations: 1 
+    1600    0.0709816      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    1700    0.0775237      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    1800    0.0827475      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    1900    0.0892141      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    2000     0.095721      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    2100     0.100526      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    2200    0.1054776      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    2300    0.1113452      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    2400    0.1163117      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    2500    0.1212057      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    2600    0.1270604      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    2700    0.1327055      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    2800    0.1381559      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    2900    0.1444964      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    3000    0.1498557      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    3100    0.1551116      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    3200    0.1614391      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    3300    0.1668684      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    3400     0.172417      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    3500    0.1776514      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    3600    0.1824561      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    3700    0.1879274      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    3800     0.193657      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    3900    0.1984543      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    4000    0.2042916      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    4100    0.2101419      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    4200    0.2150522      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    4300    0.2204679      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    4400    0.2262886      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    4500    0.2312889      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    4600    0.2366756      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    4700     0.241953      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    4800    0.2472903      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    4900    0.2526412      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    5000    0.2580908      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    5100    0.2632255      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    5200    0.2681603      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    5300     0.274469      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    5400     0.279981      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    5500    0.2865472      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    5600    0.2925439      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    5700    0.2979716      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    5800    0.3038023      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    5900     0.309463      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    6000    0.3151565      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    6100    0.3202404      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    6200    0.3259091      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    6300    0.3309851      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    6400    0.3360962      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    6500    0.3416539      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    6600    0.3472829      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    6700    0.3525499      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    6800    0.3579675      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    6900    0.3630641      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    7000    0.3692903      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    7100    0.3742572      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    7200    0.3804057      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    7300     0.391027      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    7400    0.3974281      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    7500    0.4046575      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    7600    0.4122111      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    7700     0.417742      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    7800     0.422641      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    7900    0.4291013      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    8000    0.4355374      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    8100    0.4438828      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    8200    0.4488791      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    8300    0.4540462      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    8400    0.4598884      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    8500    0.4659593      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    8600    0.4711569      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    8700    0.4779495      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    8800    0.4839121      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    8900    0.4896447      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    9000    0.4986081      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    9100    0.5038386      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    9200    0.5157325      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    9300    0.5241696      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    9400    0.5303516      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    9500    0.5369776      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    9600    0.5445828      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    9700    0.5521634      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    9800     0.561442      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+    9900    0.5683851      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+number of iterations: 1 
+   10000    0.5798376      322          321 1.8150805e-12 1.8099805e-12      5.1e-15            0          0.9        1e-20    41.006524 
+Loop time of 0.579958 on 12 procs for 10000 steps with 322 atoms
+
+Performance: 14897620457.163 tau/day, 17242.616 timesteps/s
+35.7% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0083092  | 0.011941   | 0.01714    |   2.8 |  2.06
+Neigh   | 0.0015577  | 0.0024757  | 0.0037567  |   1.6 |  0.43
+Comm    | 0.018904   | 0.079528   | 0.16867    |  16.9 | 13.71
+Output  | 0.167      | 0.16937    | 0.17117    |   0.4 | 29.20
+Modify  | 0.052047   | 0.060396   | 0.070214   |   2.7 | 10.41
+Other   |            | 0.2562     |            |       | 44.18
+
+Nlocal:    26.8333 ave 68 max 0 min
+Histogram: 4 1 0 1 2 1 0 0 1 2
+Nghost:    4.08333 ave 14 max 0 min
+Histogram: 4 1 2 2 1 0 1 0 0 1
+Neighs:    9.16667 ave 21 max 0 min
+Histogram: 5 0 0 0 1 1 1 1 1 2
+
+Total # of neighbors = 110
+Ave neighs/atom = 0.341615
+Neighbor list builds = 106
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/axenic-ecw/mpi_test.slurm b/examples/axenic-ecw/mpi_test.slurm
new file mode 100755
index 000000000..79d7c9bea
--- /dev/null
+++ b/examples/axenic-ecw/mpi_test.slurm
@@ -0,0 +1,24 @@
+#!/bin/bash -l
+#SBATCH -J ecw_mpi_test
+#SBATCH -p testing
+#SBATCH --nodes 2
+#SBATCH --ntasks-per-node 32
+#SBATCH --cpus-per-task 1
+#SBATCH --exclusive
+#SBATCH --mem=50g
+#SBATCH -A cnms
+#SBATCH -t 00:30:00
+
+module purge
+module load env/cades-cnms
+. $SOFTWARECNMS/spack/share/spack/setup-env.sh
+spack load openmpi/qnfab5m
+spack load vtk%gcc@8.2.0
+
+#export OMP_NUM_THREADS=1
+
+export LAMMPS=/lustre/or-hydra/cades-cnms/12x/NUFEB/lammps/src/lmp_mpi
+
+ldd $LAMMPS
+
+mpirun -np 16 $LAMMPS -in Inputscript.lammps
diff --git a/examples/axenic-ecw/output.lammmps b/examples/axenic-ecw/output.lammmps
new file mode 100755
index 000000000..181ffbede
--- /dev/null
+++ b/examples/axenic-ecw/output.lammmps
@@ -0,0 +1,520 @@
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diff --git a/examples/biofilm-anammox/Inputscript.lammps b/examples/biofilm-anammox/Inputscript.lammps
deleted file mode 100755
index 419f1c345..000000000
--- a/examples/biofilm-anammox/Inputscript.lammps
+++ /dev/null
@@ -1,123 +0,0 @@
-# NUFEB simulation
-
-units si
-atom_style	bio
-atom_modify	map array sort 1000 1e-6
-boundary	pp pp ff
-newton		off
-processors 2 2 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-##############Define initial particle distribution##############
-
-lattice sc 5e-6 origin 0 0 0
-region reg block 0 30 0 20 0 1
-region reg3 block 0 30 0 20 28 30
-
-create_atoms 1 random 150 63543 reg
-create_atoms 2 random 150 95321 reg
-create_atoms 3 random 250 33622 reg 
-create_atoms 4 random 250 33242 reg
-
-set type 1 density 32
-set type 1 diameter 4.5e-6
-set type 1 mass 1.52e-15
-
-set type 2 density 32
-set type 2 diameter 4.5e-6
-set type 2 mass 1.52e-15
-
-set type 3 density 32
-set type 3 diameter 4.5e-6
-set type 3 mass 1.52e-15
-
-set type 4 density 32
-set type 4 diameter 4.5e-6
-set type 4 mass 1.52e-15
-
-set type 5 density 32
-set type 5 diameter 4.5e-6
-set type 5 mass 1.52e-15
-
-group HET type 1
-group AOB type 2
-group NOB type 3
-group ANA type 4
-group DEAD type 5
-
-neighbor        2e-6 bin
-neigh_modify    delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1e-3 NULL 1e-4 NULL 0 1
-pair_coeff  * *
-
-timestep 1e-3
-
-fix 1 all nve/limit 1e-7
-fix fv all viscous 1e-7
-
-fix zw all wall/gran hooke/history 1e-3 NULL 1e-4 NULL 0 1 zplane 0 6e-04
-
-variable kanc equal 5e8
-
-fix zwa all walladh v_kanc zplane  0.0 6e-04
-
-##############Define IBm Variables##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 30
-
-#variables used in fix division
-variable divDia equal 5e-6
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable layer equal 5e-5
-
-#variables used in fix death
-variable deadDia equal 2e-6
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 1 15 10 15 v_diffT v_layer niter 3000
-fix kgm all kinetics/growth/monod epsdens 30 etahet 0.8
-fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1 dcflag 2
-fix d1 all divide 1 v_EPSdens v_divDia 52352 demflag 0
-fix d2 all death 1 v_deadDia demflag 0
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-
-##############Simulation Output##############
-
-thermo_style    custom step cpu atoms c_myNtypes[2] c_myNtypes[3] c_myNtypes[4]  c_myNtypes[5] c_myNtypes[6]
-dump du0 all bio 8008 biomass ntypes bulk 
-dump du2 all grid 24024 grid_%_*.vti con 
-dump du3 all vtk 24024 snapshot_*.vtu id type diameter x y z 
-thermo 1001
-thermo_modify   lost ignore
-
-##############Define Bio-loop and DEM-subloop##############
-
-run 800 pre no post no every 1 &
-"fix_modify k1 demflag 1" &
-"fix_modify d2 demflag 1" &
-"fix_modify d1 demflag 1" &
-"delete_atoms region reg3" &
-"timestep 1e-3" &
-"run 1000 pre no post no" &
-"timestep 10800" &
-"fix_modify k1 demflag 0" &
-"fix_modify d2 demflag 0" &
-"fix_modify d1 demflag 0" &
-
-
-
-
diff --git a/examples/biofilm-anammox/atom.in b/examples/biofilm-anammox/atom.in
deleted file mode 100755
index 97eb7ff14..000000000
--- a/examples/biofilm-anammox/atom.in
+++ /dev/null
@@ -1,77 +0,0 @@
-  Granular Flow Simulation 
-
-       0 atoms 
-       5 atom types 
-       5 nutrients
-
-   0.000000e-04   1.5e-04  xlo xhi 
-   0.000000e-04   1e-04  ylo yhi 
-   0.000000e-04   1.5e-04 zlo zhi 
-
- Atoms
-
- Nutrients
-
-     1 sub l pp pp nd 1e-3 1e-3
-     2 o2 l pp pp nd 5e-4 5e-4
-     3 no2 l pp pp nd 1e-4 1e-4
-     4 no3 l pp pp nd 1e-20 1e-20
-     5 nh4 l pp pp nd 1e-2 1e-2 
-
- Diffusion Coeffs
-    
-     sub 1.1574e-9
-     o2 2.3e-9
-     no2 1.85e-9
-     no3 1.85e-9
-     nh4 1.97e-9
-
- Type Name
-
-     1 het
-     2 aob
-     3 nob
-     4 ana
-     5 dead
-
- Ks
-     
-     het 4e-3 2e-4 0.5e-3 0.5e-3 0
-     aob 0 0.6e-3 0 0 2.4e-3
-     nob 0 2.2e-3 5.5e-3 0 0
-     ana 0 0.01e-3 0.005e-3 0 0.07e-3
-     dead 0 0 0 0 0
-
-Growth Rate
-
-     het 0.000069444
-     aob 0.000023727
-     nob 0.000016782
-     ana 0.000000926
-     dead 0
-
- Yield
-    
-     het 0.63
-     aob 0.15
-     nob 0.041
-     ana 0.159
-     dead 0
-
- Maintenance
- 
-     het 0.00000463
-     aob 0.000001505
-     nob 0.000000694
-     ana 0.000000035
-     dead 0
-
- Decay
-
-     het 0.000000917
-     aob 0.000000787
-     nob 0.000000463
-     ana 0.00000003
-     dead 0
-
-
diff --git a/examples/biofilm-het/Allclean.sh b/examples/biofilm-het/Allclean.sh
deleted file mode 100755
index cd2b54bdd..000000000
--- a/examples/biofilm-het/Allclean.sh
+++ /dev/null
@@ -1,8 +0,0 @@
-rm snapshot_*
-rm grid_*
-rm dump*
-rm atom_*
-rm slurm-*
-rm -rf Results
-rm output.lammps
-rm log.lammps
diff --git a/examples/biofilm-het/Inputscript-comments.lammps b/examples/biofilm-het/Inputscript-comments.lammps
deleted file mode 100755
index 37618460b..000000000
--- a/examples/biofilm-het/Inputscript-comments.lammps
+++ /dev/null
@@ -1,141 +0,0 @@
-################ NUFEB simulation - Monospecies biofilm growth ################
-
-##############System setting##############
-##use bio atom style to model microbe##
-atom_style	bio
-
-##modify attributes of atoms defined and stored in NUFEB##
-atom_modify	map array sort 100 5.0e-7
-
-##define style of domain boundary: x->periodic; y->periodic; z->fix##
-boundary	pp pp ff
-
-##turn off Newton's 3rd law##
-newton		off
-
-##define domain partition for parallel simulation##
-processors  * * 1
-
-##further setting for parallelisation - do not exchange velocity info with ghost atoms##
-comm_modify	vel yes
-
-##read initial settings of domain, atoms, species and nutrients from atom.in file##
-read_data_bio atom.in
-
-##set group for each species defined in atom.in file##
-group HET type 1
-group EPS type 2
-
-##set neighbor cut-off distance##
-neighbor	5e-7 bin
-
-##additional parameters that affect the building and use of neighbor list##
-neigh_modify	delay 0 one 5000
-
-##############Define mechanical processes##############
-
-##simulation timestep: 10sec##
-timestep 10
-
-##contact force##
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-##constant NVE updates of position and velocity of atoms##
-fix 1 all nve/limit 1e-8
-
-##viscous force##
-fix fv all viscous 1e-5
-
-##contact force from domain boundary##
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-04
-
-##adhesive force from domain boundary##
-variable kanc equal 50
-fix zwa all walladh v_kanc zplane  0.0  1e-04
-
-##EPS adhesive force##
-variable ke equal 5e+10
-fix j1 all epsadh 1 v_ke 1
-
-##############Variables used in bio and chemical processes##############
-
-##variables used in fix eps_extract: EPS density; EPS_shell/HET ratio##
-variable EPSdens equal 30
-variable EPSratio equal 1.3
-
-##variables used in fix division: maximum microbe diameter##
-variable divDia equal 1.36e-6
-
-##variables used in fix kinetics: diffusion timestep; diffusion toleranace value; height of boundary layer##
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable layer equal -1
-
-##variables used in fix death: minimum microbe diameter##
-variable deadDia equal 9e-7
-
-##############Define biological and chemical processes##############
-
-##parameters for chemical processes: timestep to update nutrient concentration(100x10sec); Cartesian mesh scheme (25x10x25); maximum # of iteraction for solving chemical processes (niter 5000)##
-fix k1 all kinetics 100 25 10 25 v_diffT v_layer niter 5000
-
-##Monod based microbe growth process##
-fix kgm all kinetics/growth/monod epsdens 30
-
-##diffusion-reaction process, dcflag: diffusion coefficent in biomass 0=fixed, 1=dynamic, 2=0.8 of liquid##
-fix g1 all kinetics/diffusion v_tol dcflag 2
-
-##microbe division process: timestep (100x10sec)##
-fix d1 all divide 100 v_EPSdens v_divDia 64564
-
-##EPS production process: timestep (100x10sec)##
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 53453
-
-##############Define IBm Computes##############
-
-##compute # of atoms of each type (species)##
-compute myNtypes all ntypes
-
-##compute biofilm average height##
-compute myHeight all avg_height
-
-##compute biofilm surface roughness##
-compute myRough all roughness
-
-##compute total biomass of each type##
-compute myMass all biomass
-
-##compute average concentration of each nutrient##
-compute myCon all avg_con
-
-##############Simulation Output##############
-
-##output atom states (id, species, diameter, position) every 1000x10sec in lammps default format##
-dump		id all custom 1000 output.lammps id type diameter x y z
-
-##output atom states (id, species, diameter, position) every 1000x10sec in vtk format##
-dump		du1 all vtk 1000 atom_*.vtu id type diameter x y z
-
-##output field state (concentration) every 1000x10sec in vtk format##
-dump		du2 all grid 1000 grid_%_*.vti con
-
-##output system properties every 100x10sec to \Result dirctory
-dump            du3 all bio 1000 avg_height roughness biomass ntypes avg_con
-
-##output system state in hdf5 format
-dump            du4 all bio/hdf5 1000 dump.h5 id type x y z vx vy vz fx fy fz radius con upt yie
-
-##screen output: current timestep; cpu time, # of atoms, # of atoms of HET and EPS, total biomass of HET and EPS, average concentration of sub and o2##
-thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
-
-##screent output every 100x10sec##
-thermo		100
-
-##ignore atom lost##
-thermo_modify	lost ignore
-
-##run simulation for 80,000 steps (80000x10sec)##
-run 80000
-
-
diff --git a/examples/biofilm-het/Inputscript-hdf5.lammps b/examples/biofilm-het/Inputscript-hdf5.lammps
deleted file mode 100755
index 833e1d8a0..000000000
--- a/examples/biofilm-het/Inputscript-hdf5.lammps
+++ /dev/null
@@ -1,81 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1
-group EPS type 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 10
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-04
-
-variable kanc equal 50
-
-fix zwa all walladh v_kanc zplane  0.0  1e-04
-
-##############Define IBm Variables##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 30
-variable EPSratio equal 1.3
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable layer equal -1
-
-#variables used in fix death
-variable deadDia equal 9e-7
-
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 100 25 10 25 v_diffT v_layer niter 5000
-fix kgm all kinetics/growth/monod epsdens 30
-fix g1 all kinetics/diffusion v_tol dcflag 2
-fix d1 all divide 100 v_EPSdens v_divDia 64564
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 53453
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-compute myCon all avg_con
-compute myHeight all avg_height
-compute myRough all roughness
-
-##############Simulation Output##############
-
-dump		id all custom 1000 output.lammps id type diameter x y z
-dump            du4 all bio/hdf5 1000 dump.h5 id type x y z vx vy vz fx fy fz radius con upt yie
-#dump            du4 all bio/hdf5 1000 dump_%.h5 id type x y z vx vy vz fx fy fz radius con upt yie
-#dump            du4 all bio/hdf5 1000 dump_*_%.h5 id type x y z vx vy vz fx fy fz radius con upt yie
-thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
-thermo		100
-thermo_modify	lost ignore
-
-
-run 80000
-
-
diff --git a/examples/biofilm-het/Inputscript-jpeg.lammps b/examples/biofilm-het/Inputscript-jpeg.lammps
deleted file mode 100755
index 5c992a498..000000000
--- a/examples/biofilm-het/Inputscript-jpeg.lammps
+++ /dev/null
@@ -1,81 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1
-group EPS type 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 10
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-04
-
-variable kanc equal 50
-
-fix zwa all walladh v_kanc zplane  0.0  1e-04
-
-##############Define IBm Variables##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 30
-variable EPSratio equal 1.3
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable layer equal -1
-
-#variables used in fix death
-variable deadDia equal 9e-7
-
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 100 25 10 25 v_diffT v_layer niter 5000
-fix kgm all kinetics/growth/monod epsdens 30
-fix g1 all kinetics/diffusion v_tol dcflag 2 
-fix d1 all divide 100 v_EPSdens v_divDia 64564
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 53453
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-compute myCon all avg_con
-compute myHeight all avg_height
-compute myRough all roughness
-
-##############Simulation Output##############
-
-dump		id all custom 1000 output.lammps id type diameter x y z
-dump            du2 all bio 1000 avg_height roughness biomass ntypes avg_con
-dump            du3 all image 1000 image.*.jpg type diameter size 1280 720
-dump_modify     du3 acolor 1 green acolor 2 red
-thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
-thermo		100
-thermo_modify	lost ignore
-
-
-run 80000
-
-
diff --git a/examples/biofilm-het/Inputscript-vtk.lammps b/examples/biofilm-het/Inputscript-vtk.lammps
deleted file mode 100755
index c894804d7..000000000
--- a/examples/biofilm-het/Inputscript-vtk.lammps
+++ /dev/null
@@ -1,81 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1
-group EPS type 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 10
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-04
-
-variable kanc equal 50
-
-fix zwa all walladh v_kanc zplane  0.0  1e-04
-
-##############Define IBm Variables##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 30
-variable EPSratio equal 1.3
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable layer equal -1
-
-#variables used in fix death
-variable deadDia equal 9e-7
-
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 100 25 10 25 v_diffT v_layer niter 5000
-fix kgm all kinetics/growth/monod epsdens 30
-fix g1 all kinetics/diffusion v_tol dcflag 2
-fix d1 all divide 100 v_EPSdens v_divDia 64564
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 53453
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-compute myCon all avg_con
-compute myHeight all avg_height
-compute myRough all roughness
-
-##############Simulation Output##############
-
-dump		id all custom 1000 output.lammps id type diameter x y z
-dump		du1 all vtk 1000 atom_*.vtu id type diameter x y z
-dump		du2 all grid 1000 grid_%_*.vti con
-dump           du3 all bio 1000 avg_height roughness biomass ntypes avg_con 
-thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
-thermo		100
-thermo_modify	lost ignore
-
-
-run 80000
-
-
diff --git a/examples/biofilm-het/Inputscript.lammps b/examples/biofilm-het/Inputscript.lammps
deleted file mode 100755
index ed1a26143..000000000
--- a/examples/biofilm-het/Inputscript.lammps
+++ /dev/null
@@ -1,79 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1
-group EPS type 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 10
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-04
-
-variable kanc equal 50
-
-fix zwa all walladh v_kanc zplane  0.0  1e-04
-
-##############Define IBm Variables##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 30
-variable EPSratio equal 1.3
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable layer equal -1
-
-#variables used in fix death
-variable deadDia equal 9e-7
-
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 100 25 10 25 v_diffT v_layer niter 5000
-fix kgm all kinetics/growth/monod epsdens 30
-fix g1 all kinetics/diffusion v_tol dcflag 2 
-fix d1 all divide 100 v_EPSdens v_divDia 64564
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 53453
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-compute myCon all avg_con
-compute myHeight all avg_height
-compute myRough all roughness
-
-##############Simulation Output##############
-
-dump		id all custom 1000 output.lammps id type diameter x y z
-dump            du3 all bio 1000 avg_height roughness biomass ntypes avg_con
-thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
-thermo		100
-thermo_modify	lost ignore
-
-
-run 80000
-
-
diff --git a/examples/biofilm-het/README.md b/examples/biofilm-het/README.md
deleted file mode 100644
index 5da8dacb1..000000000
--- a/examples/biofilm-het/README.md
+++ /dev/null
@@ -1,33 +0,0 @@
-A simple biofilm growth model that consists of heterotrophs (HETs) and their EPS production. 
-The biofilm is grown from 40 initial HETs inoculated on the substratum for ~9.25 days (8x10^5s).
-
-
       
-Inputscript-vtk.lammps           Simulation inputscript (with VTK outputs) 
-Inputscript-hdf5.lammps          Simulation inputscript (with HDF5 outputs) 
-Inputscript.lammps               Simulation inputscript (with standard lammps outputs only) 
-Inputscript-comments.lammps      Simulation inputscript (with command explanation) 
-Inputscript-jpeg.lammps          Simulation inputscript (with jpeg outputs) 
-atom.in                          Data file defining initial microbes, species, nutrients, their kinetic parameters, etc
-Allclean.sh                      Script for cleanup
-

-
-To run the simulation with VTK outputs:
-
-mpirun -np 4 lmp_mpi -in Inputscript-vtk.lammps
-

-or 
-
-mpirun -np 4 ../../lammps/src/./lmp_mpi -in Inputscript-vtk.lammps
-

-
-To cleanup output files
-
-./Allclean.sh
-

-
-
-Simulation result:
-
-(↓ Youtube video)
-
-[![youtube video](https://img.youtube.com/vi/DrDD7_OZNQ4/0.jpg)](https://www.youtube.com/watch?v=DrDD7_OZNQ4)
diff --git a/examples/biofilm-het/atom.in b/examples/biofilm-het/atom.in
deleted file mode 100755
index a275daa20..000000000
--- a/examples/biofilm-het/atom.in
+++ /dev/null
@@ -1,96 +0,0 @@
- NUFEB Simulation 
-
-       41 atoms 
-       2 atom types 
-       2 nutrients
-
-   0.000000e-04   1e-04  xlo xhi 
-   0.000000e-04   0.4e-04  ylo yhi 
-   0.000000e-04   1e-04  zlo zhi 
-
- Atoms 
-
-     1 1 1.0e-6 150 0.5e-5 0.5e-5 1e-6 1.0e-6
-     2 1 1.0e-6 150 1.5e-5 0.5e-5 1e-6 1.0e-6
-     3 1 1.0e-6 150 2.5e-5 0.5e-5 1e-6 1.0e-6
-     4 1 1.0e-6 150 3.5e-5 0.5e-5 1e-6 1.0e-6
-     5 1 1.0e-6 150 4.5e-5 0.5e-5 1e-6 1.0e-6
-     6 1 1.0e-6 150 5.5e-5 0.5e-5 1e-6 1.0e-6
-     7 1 1.0e-6 150 6.5e-5 0.5e-5 1e-6 1.0e-6
-     8 1 1.0e-6 150 7.5e-5 0.5e-5 1e-6 1.0e-6
-     9 1 1.0e-6 150 8.5e-5 0.5e-5 1e-6 1.0e-6
-     10 1 1.0e-6 150 9.5e-5 0.5e-5 1e-6 1.0e-6
-     11 1 1.0e-6 150 0.5e-5 1.5e-5 1e-6 1.0e-6
-     12 1 1.0e-6 150 1.5e-5 1.5e-5 1e-6 1.0e-6
-     13 1 1.0e-6 150 2.5e-5 1.5e-5 1e-6 1.0e-6
-     14 1 1.0e-6 150 3.5e-5 1.5e-5 1e-6 1.0e-6
-     15 1 1.0e-6 150 4.5e-5 1.5e-5 1e-6 1.0e-6
-     16 1 1.0e-6 150 5.5e-5 1.5e-5 1e-6 1.0e-6
-     17 1 1.0e-6 150 6.5e-5 1.5e-5 1e-6 1.0e-6
-     18 1 1.0e-6 150 7.5e-5 1.5e-5 1e-6 1.0e-6
-     19 1 1.0e-6 150 8.5e-5 1.5e-5 1e-6 1.0e-6
-     20 1 1.0e-6 150 9.5e-5 1.5e-5 1e-6 1.0e-6
-     21 1 1.0e-6 150 0.5e-5 2.5e-5 1e-6 1.0e-6
-     22 1 1.0e-6 150 1.5e-5 2.5e-5 1e-6 1.0e-6
-     23 1 1.0e-6 150 2.5e-5 2.5e-5 1e-6 1.0e-6
-     24 1 1.0e-6 150 3.5e-5 2.5e-5 1e-6 1.0e-6
-     25 1 1.0e-6 150 4.5e-5 2.5e-5 1e-6 1.0e-6
-     26 1 1.0e-6 150 5.5e-5 2.5e-5 1e-6 1.0e-6
-     27 1 1.0e-6 150 6.5e-5 2.5e-5 1e-6 1.0e-6
-     28 1 1.0e-6 150 7.5e-5 2.5e-5 1e-6 1.0e-6
-     29 1 1.0e-6 150 8.5e-5 2.5e-5 1e-6 1.0e-6
-     30 1 1.0e-6 150 9.5e-5 2.5e-5 1e-6 1.0e-6
-     31 1 1.0e-6 150 0.5e-5 3.5e-5 1e-6 1.0e-6
-     32 1 1.0e-6 150 1.5e-5 3.5e-5 1e-6 1.0e-6
-     33 1 1.0e-6 150 2.5e-5 3.5e-5 1e-6 1.0e-6
-     34 1 1.0e-6 150 3.5e-5 3.5e-5 1e-6 1.0e-6
-     35 1 1.0e-6 150 4.5e-5 3.5e-5 1e-6 1.0e-6
-     36 1 1.0e-6 150 5.5e-5 3.5e-5 1e-6 1.0e-6
-     37 1 1.0e-6 150 6.5e-5 3.5e-5 1e-6 1.0e-6
-     38 1 1.0e-6 150 7.5e-5 3.5e-5 1e-6 1.0e-6
-     39 1 1.0e-6 150 8.5e-5 3.5e-5 1e-6 1.0e-6
-     40 1 1.0e-6 150 9.5e-5 3.5e-5 1e-6 1.0e-6
-     41 2 1.0e-8 150 0.6e-5 0.5e-5 1e-6 1.0e-8
-
- Nutrients
-
-     1 sub l pp pp nd 1e-4 1e-4
-     2 o2 l pp pp nd 1e-4 1e-4
-
- Type Name
-
-     1 het
-     2 eps
-
- Diffusion Coeffs
-    
-     sub 1.6e-9
-     o2 2.30e-9
-
- Ks
-     
-     het 3.5e-5 0
-     eps 0 0 
-
- Growth Rate
-
-     het 0.00028 
-     eps 0
-
- Yield
-    
-     het 0.61
-     eps 0.18
-
- Maintenance
- 
-     het 0
-     eps 0
-
- Decay
-
-     het 0
-     eps 0
-
-
-
diff --git a/examples/biofilm-het/visual/povray/PvrRotate100cubic.m b/examples/biofilm-het/visual/povray/PvrRotate100cubic.m
deleted file mode 100755
index 40669e018..000000000
--- a/examples/biofilm-het/visual/povray/PvrRotate100cubic.m
+++ /dev/null
@@ -1,56 +0,0 @@
-function [ POV_RAY ] = PvrRotate100cubic(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-fprintf(fid,['location <0, 60e-2, 0>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-fprintf(fid,'look_at 0\n')
-fprintf(fid,'rotate <0, 0, 20>\n', rotate);
-fprintf(fid,'}\n');
-fprintf(fid,'// Create simualtion domain\n');
-fprintf(fid,'#declare b_x=0.05;\n');
-fprintf(fid,'#declare b_y=0.02;\n');
-fprintf(fid,'#declare b_z=0.05;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}\n');
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/examples/biofilm-het/visual/povray/import.pov b/examples/biofilm-het/visual/povray/import.pov
deleted file mode 100755
index aad4db556..000000000
--- a/examples/biofilm-het/visual/povray/import.pov
+++ /dev/null
@@ -1,32 +0,0 @@
-#include "shapes.inc"
-// Right-handed coordinate system in which the z-axis points upwards
-camera {
-location <0, 60e-2, 0>
-sky z
-right 0.24*x*image_width/image_height
-up 0.24*y
-look_at <0, 0, 0>
-look_at 0
-rotate <0, 0, 20>
-}
-// Create simualtion domain
-#declare b_x=0.05;
-#declare b_y=0.02;
-#declare b_z=0.05;
-object{ 
-Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) 
- texture{ pigment{ color rgb<1,1,1>}}
-}
-// White background
-background{rgb 1}
-// Two lights with slightly different colors
-light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}
-light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}
-// Radius of the Voronoi cell network
-#declare r=0.05;
-// Radius of the particles
-#declare s=0.6;
-// Particles
-union{
-#include "data_p.pov"
-}
diff --git a/examples/biofilm-het/visual/povray/run.sh b/examples/biofilm-het/visual/povray/run.sh
deleted file mode 100755
index b5d422fc7..000000000
--- a/examples/biofilm-het/visual/povray/run.sh
+++ /dev/null
@@ -1,4 +0,0 @@
-#!/bin/bash
-# Matlab povray script
-
-matlab -nodisplay -nosplash -nodesktop -r "run('visual100cubic.m');exit;"
diff --git a/examples/biofilm-het/visual/povray/visual100cubic.m b/examples/biofilm-het/visual/povray/visual100cubic.m
deleted file mode 100755
index 7be3e8a6a..000000000
--- a/examples/biofilm-het/visual/povray/visual100cubic.m
+++ /dev/null
@@ -1,103 +0,0 @@
-clear;
-  dump = fopen('output.lammmps','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-0.05;
-Y = C{5}*1e+3-0.02;
-Z = C{6}*1e+3-0.05;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.5;
-        GREEN = 0.5;
-        BLUE = 0.5;
-        end 
-        
-        if (Tp(l)==3)
-        RED = 0.8;
-        GREEN = 0.2;
-        BLUE = 0.2;
-        end 
-        
-          if (Tp(l)==4)
-        RED = 0.6;
-        GREEN = 0.6;
-        BLUE = 0.6;
-        end 
-        
-       if (Tp(l)==5)
-        RED = 0.2;
-        GREEN = 0.8;
-        BLUE = 0.8;
-        end 
-
-        
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrRotate100cubic(image, i)
-
-generate=['povray +H3000 +W3000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/examples/biofilm-het/visual/vtk/growth.pvsm b/examples/biofilm-het/visual/vtk/growth.pvsm
deleted file mode 100755
index 2bcb0ff8d..000000000
--- a/examples/biofilm-het/visual/vtk/growth.pvsm
+++ /dev/null
@@ -1,33277 +0,0 @@
-
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diff --git a/examples/biofilm-nitrifier/Allclean.sh b/examples/biofilm-nitrifier/Allclean.sh
deleted file mode 100755
index 768acbd26..000000000
--- a/examples/biofilm-nitrifier/Allclean.sh
+++ /dev/null
@@ -1,8 +0,0 @@
-rm snapshot_*
-rm grid_*
-rm dump_*
-rm atom_*
-rm slurm-*
-rm -rf Results
-rm output.lammps
-rm log.lammps
diff --git a/examples/biofilm-nitrifier/Inputscript.lammps b/examples/biofilm-nitrifier/Inputscript.lammps
deleted file mode 100755
index 07a198b8c..000000000
--- a/examples/biofilm-nitrifier/Inputscript.lammps
+++ /dev/null
@@ -1,127 +0,0 @@
-# NUFEB simulation
-
-units si
-atom_style	bio
-atom_modify	map array sort 1000 5.0e-7
-boundary	pp pp ff
-newton		off
-processors 2 2 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-##############Define initial particle distribution##############
-
-lattice sc 1e-6 origin 0 0 0
-region reg block 0 50 0 50 0 1
-
-create_atoms 1 random 100 3124 reg
-create_atoms 2 random 100 1321 reg
-create_atoms 3 random 100 52342 reg 
-create_atoms 4 random 1 13212 reg
-create_atoms 5 random 1 41231 reg
-
-set type 1 density 32
-set type 1 diameter 1.3e-6
-set type 1 mass 3.68e-17
-
-set type 2 density 32
-set type 2 diameter 1.3e-6
-set type 2 mass 3.68e-17
-
-set type 3 density 32
-set type 3 diameter 1.3e-6
-set type 3 mass 3.68e-17
-
-set type 4 density 32
-set type 4 diameter 1.3e-6
-set type 4 mass 3.68e-17
-
-set type 5 density 32
-set type 5 diameter 1.3e-6
-set type 5 mass 3.68e-17
-
-group HET type 1
-group AOB type 2
-group NOB type 3
-group EPS type 4
-group DEAD type 5
-
-neighbor        5e-7 bin
-neigh_modify    delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1e-4 NULL 1e-4 NULL 0 1
-pair_coeff  * *
-
-timestep 1e-3
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-8
-
-fix zw all wall/gran hooke/history 1e-4 NULL 1e-4 NULL 0 1 zplane 0.0 5e-05
-
-variable kanc equal 5e+8
-
-fix zwa all walladh v_kanc zplane  0.0 5e-5
-
-##############Define IBm Variables##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 20
-variable EPSratio equal 1.12
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 5e-7
-variable layer equal 1e-5 
-
-#variables used in fix death
-variable deadDia equal 5e-7
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 1 20 20 20 v_diffT v_layer niter 20000
-fix kgm all kinetics/growth/monod epsdens 20 etahet 0.6
-fix g1 all kinetics/diffusion v_tol bulk 2.31e-7 1.25e-3 0.1
-fix d1 all divide 1 v_EPSdens v_divDia 41341 demflag 0
-fix e1 HET eps_extract 1 v_EPSratio v_EPSdens 5234 demflag 0
-fix d2 all death 1 v_deadDia demflag 0
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-compute myCon all avg_con
-
-##############Simulation Output##############
-
-thermo_style    custom step cpu atoms c_myNtypes[*]
-dump du0 all bio 1001 biomass ntypes bulk avg_con
-dump du2 all grid 10010 grid_%_*.vti con 
-dump du3 all vtk 10010 snapshot_*.vtu id type diameter x y z 
-thermo 1001
-thermo_modify   lost ignore
-
-##############Define Bio-loop and DEM-subloop##############
-
-run 240 pre no post no every 1 &
-"fix_modify k1 demflag 1" &
-"fix_modify d2 demflag 1" &
-"fix_modify d1 demflag 1" &
-"fix_modify e1 demflag 1" &
-"timestep 1e-3" &
-"run 1000 pre no post no" &
-"timestep 1200" &
-"fix_modify k1 demflag 0" &
-"fix_modify d2 demflag 0" &
-"fix_modify d1 demflag 0" &
-"fix_modify e1 demflag 0" &
-
-
-
-
diff --git a/examples/biofilm-nitrifier/README.md b/examples/biofilm-nitrifier/README.md
deleted file mode 100644
index 7ec594b45..000000000
--- a/examples/biofilm-nitrifier/README.md
+++ /dev/null
@@ -1,25 +0,0 @@
-A multi-species biofilm model that consists of 
-ammonia oxidizing bacteria (AOB), nitrite oxidizing bacteria (NOB),
-heterotrophs (HET) and their EPS production. 
-The biofilm is grown from 100 initial microbes of each species that
-are randomly placed on the substratum.
-
-
       
-Inputscript.lammps               Simulation inputscript
-atom.in                          Data file defining species, nutrients, their kinetic parameters, etc
-Allclean.sh                      Script for cleanup
-

-
-To run the simulation:
-
-mpirun -np 4 lmp_mpi -in Inputscript.lammps
-

-or 
-
-mpirun -np 4 ../../lammps/src/./lmp_mpi -in Inputscript.lammps
-

-
-To cleanup output files
-
-./Allclean.sh
-

diff --git a/examples/biofilm-nitrifier/atom.in b/examples/biofilm-nitrifier/atom.in
deleted file mode 100755
index 7b971d232..000000000
--- a/examples/biofilm-nitrifier/atom.in
+++ /dev/null
@@ -1,77 +0,0 @@
-  Granular Flow Simulation 
-
-       0 atoms 
-       5 atom types 
-       5 nutrients
-
-   0.000000e-04   5e-05  xlo xhi 
-   0.000000e-04   5e-05  ylo yhi 
-   0.000000e-04   5e-05 zlo zhi 
-
- Atoms
-
- Nutrients
-
-     1 sub l pp pp nd 3e-3 3e-3
-     2 o2 l pp pp nd 1e-2 1e-2
-     3 no2 l pp pp nd 1e-20 1e-20
-     4 no3 l pp pp nd 1e-20 1e-20
-     5 nh4 l pp pp nd 1e-2 1e-2 
-
- Diffusion Coeffs
-    
-     sub 1.1574e-9
-     o2 2.3e-9
-     no2 1.85e-9
-     no3 1.85e-9
-     nh4 1.97e-9
-
- Type Name
-
-     1 het
-     2 aob
-     3 nob
-     4 eps
-     5 dead
-
- Ks
-     
-     het 4e-3 2e-4 0.0003 0.0003 0
-     aob 0 5e-4 0 0 1e-3
-     nob 0 6.8e-4 1.3e-3 0 0
-     eps 0 0 0 0 0
-     dead 0 0 0 0 0
-
-Growth Rate
-
-     het 0.000069
-     aob 0.000023727
-     nob 0.000016782
-     eps 0
-     dead 0
-
- Yield
-    
-     het 0.61
-     aob 0.15
-     nob 0.041
-     eps 0.18
-     dead 0
-
- Maintenance
- 
-     het 0.000003694
-     aob 0.000001505
-     nob 0.000000694
-     eps 0
-     dead 0
-
- Decay
-
-     het 0.000000917
-     aob 0.00000127314
-     nob 0.00000127314
-     eps 0.00000196759
-     dead 0
-
-
diff --git a/examples/closed-system/Allclean.sh b/examples/closed-system/Allclean.sh
deleted file mode 100755
index 768acbd26..000000000
--- a/examples/closed-system/Allclean.sh
+++ /dev/null
@@ -1,8 +0,0 @@
-rm snapshot_*
-rm grid_*
-rm dump_*
-rm atom_*
-rm slurm-*
-rm -rf Results
-rm output.lammps
-rm log.lammps
diff --git a/examples/closed-system/Inputscript.lammps b/examples/closed-system/Inputscript.lammps
deleted file mode 100644
index fcae3d101..000000000
--- a/examples/closed-system/Inputscript.lammps
+++ /dev/null
@@ -1,98 +0,0 @@
-# NUFEB simulation
-
-units si
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-##############Define initial particle distribution##############
-
-lattice sc 1e-6 origin 0 0 0
-region reg block 0 20 0 20 0 1
-
-create_atoms 1 random 80 31324 reg
-
-set type 1 density 150
-set type 1 diameter 1.3e-6
-set type 1 mass 1.725e-16
-
-set type 2 density 150
-set type 2 diameter 1.3e-6
-set type 2 mass 1.725e-16
-
-group HET type 1
-group EPS type 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 10
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  2e-05
-
-variable kanc equal 50
-
-fix zwa all walladh v_kanc zplane  0.0  1e-04
-
-##############Define IBm Variables##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 30
-variable EPSratio equal 1.3
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 1e-12
-variable layer equal -1
-
-#variables used in fix death
-variable deadDia equal 9e-7
-
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 100 10 10 10 v_diffT v_layer niter 50000
-fix kgm all kinetics/growth/monod epsdens 30 gflag 1
-fix g1 all kinetics/diffusion v_tol 
-fix d1 all divide 100 v_EPSdens v_divDia 64564
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 53453
-fix vi all verify 100 mb
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myHeight all avg_height
-compute myRough all roughness
-compute myMass all biomass
-compute myCon all avg_con
-
-##############Simulation Output##############
-
-#dump		id all custom 1 output.lammps id type diameter x y z
-dump		du1 all vtk 100 atom_*.vtu id type diameter x y z
-dump		du2 all grid 100 grid_%_*.vti con
-#dump            du3 all bio 100 avg_height roughness avg_con
-thermo_style    custom step cpu atoms c_myNtypes[1] c_myNtypes[2] c_myMass[*]
-thermo		100
-thermo_modify	lost ignore
-
-
-run 20000
-
-
diff --git a/examples/closed-system/atom.in b/examples/closed-system/atom.in
deleted file mode 100644
index 494195477..000000000
--- a/examples/closed-system/atom.in
+++ /dev/null
@@ -1,56 +0,0 @@
- NUFEB Simulation 
-
-       0 atoms 
-       2 atom types 
-       3 nutrients
-
-   0   2e-05  xlo xhi 
-   0   2e-05  ylo yhi 
-   0   2e-05  zlo zhi 
-
- Atoms 
-
- Nutrients
-
-     1 sub l nn nn nn 50 50
-     2 o2 l nn nn nd 1e-4 1e-4
-     3 o3 g pp pp pp 1e-4 1e-4
-
- Type Name
-
-     1 het
-     2 eps
-
- Diffusion Coeffs
-    
-     sub 1.1574e-9
-     o2 2.3148e-9
-     o3 0
-
- Ks
-     
-     het 4e-3 2e-4 0
-     eps 0 0 0
-
- Growth Rate
-
-     het 0.000069444
-     eps 0
-
- Yield
-    
-     het 0.63
-     eps 0
-
- Maintenance
- 
-     het 0
-     eps 0
-
- Decay
-
-     het 0
-     eps 0
-
-
-
diff --git a/examples/competition-energy/S1.Case 0 - Fix pH & Yield.xlsx b/examples/competition-energy/S1.Case 0 - Fix pH & Yield.xlsx
deleted file mode 100644
index d5e01be71..000000000
Binary files a/examples/competition-energy/S1.Case 0 - Fix pH & Yield.xlsx and /dev/null differ
diff --git a/examples/competition-energy/alter-fifty/Inputscript.lammps b/examples/competition-energy/alter-fifty/Inputscript.lammps
deleted file mode 100644
index e1634621f..000000000
--- a/examples/competition-energy/alter-fifty/Inputscript.lammps
+++ /dev/null
@@ -1,82 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * *
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 600
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-variable kanc equal 50
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0   2e-4
-fix zwa all walladh v_kanc zplane  0.0   2e-4
-
-##############Define IBm Variables##############
-
-#Defining EPS density and ratio variables
-variable EPSdens equal 30
-variable EPSratio equal 1.25
-
-#variables used in fix division
-variable divDia equal 0.78e-6
-
-#Defining diffusion variables
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable etaHET equal 0.0
-variable layer equal 4e-5
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 1 100 5 100 v_diffT v_layer demflag 0 niter 1000
-fix ki1 all kinetics/growth/energy v_EPSdens	
-fix ki2 all kinetics/thermo
-fix ki3 all kinetics/ph fix 
-fix g1 all kinetics/diffusion v_tol 
-fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-
-##############Simulation outputs##############
-
-#dump 		du2 all grid 100000 grid_%_*.vti con
-#dump		du1 all vtk 100000 snapshot.bubblemd.vtu id type diameter x y z
-dump            du0 all bio 100000 ntypes biomass
-dump		du3 all custom 500000 snapshot.bubblemd id type diameter x y z
-thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*]
-thermo		1000
-thermo_modify	lost ignore
-
-
-##############Define Bio-loop and DEM-subloop##############
-
-run 4320 pre no post no every 1 &
-"fix_modify k1 demflag 1" &
-"fix_modify d1 demflag 1" &
-"timestep 1e-3" &
-"run 1000 pre no post no" &
-"timestep 600" &
-"fix_modify k1 demflag 0" &
-"fix_modify d1 demflag 0" &
-
diff --git a/examples/competition-energy/alter-fifty/atom.in b/examples/competition-energy/alter-fifty/atom.in
deleted file mode 100644
index ad1910b62..000000000
--- a/examples/competition-energy/alter-fifty/atom.in
+++ /dev/null
@@ -1,349 +0,0 @@
-  Granular Flow Simulation 
-
-       250 atoms 
-       2 atom types 
-       3 nutrients
-
-   0.0   2.0e-04  xlo xhi 
-   0.0   1.0e-05  ylo yhi 
-   0.0   2.0e-04  zlo zhi 
-
- Atoms
-
-	1 1 7.80e-7 290 2.00e-6 1.00e-6 1.00e-6 7.80e-7
-	2 2 7.80e-7 290 6.00e-6 1.00e-6 1.00e-6 7.80e-7
-	3 1 7.80e-7 290 1.00e-5 1.00e-6 1.00e-6 7.80e-7
-	4 2 7.80e-7 290 1.40e-5 1.00e-6 1.00e-6 7.80e-7
-	5 1 7.80e-7 290 1.80e-5 1.00e-6 1.00e-6 7.80e-7
-	6 2 7.80e-7 290 2.20e-5 1.00e-6 1.00e-6 7.80e-7
-	7 1 7.80e-7 290 2.60e-5 1.00e-6 1.00e-6 7.80e-7
-	8 2 7.80e-7 290 3.00e-5 1.00e-6 1.00e-6 7.80e-7
-	9 1 7.80e-7 290 3.40e-5 1.00e-6 1.00e-6 7.80e-7
-	10 2 7.80e-7 290 3.80e-5 1.00e-6 1.00e-6 7.80e-7
-	11 1 7.80e-7 290 4.20e-5 1.00e-6 1.00e-6 7.80e-7
-	12 2 7.80e-7 290 4.60e-5 1.00e-6 1.00e-6 7.80e-7
-	13 1 7.80e-7 290 5.00e-5 1.00e-6 1.00e-6 7.80e-7
-	14 2 7.80e-7 290 5.40e-5 1.00e-6 1.00e-6 7.80e-7
-	15 1 7.80e-7 290 5.80e-5 1.00e-6 1.00e-6 7.80e-7
-	16 2 7.80e-7 290 6.20e-5 1.00e-6 1.00e-6 7.80e-7
-	17 1 7.80e-7 290 6.60e-5 1.00e-6 1.00e-6 7.80e-7
-	18 2 7.80e-7 290 7.00e-5 1.00e-6 1.00e-6 7.80e-7
-	19 1 7.80e-7 290 7.40e-5 1.00e-6 1.00e-6 7.80e-7
-	20 2 7.80e-7 290 7.80e-5 1.00e-6 1.00e-6 7.80e-7
-	21 1 7.80e-7 290 8.20e-5 1.00e-6 1.00e-6 7.80e-7
-	22 2 7.80e-7 290 8.60e-5 1.00e-6 1.00e-6 7.80e-7
-	23 1 7.80e-7 290 9.00e-5 1.00e-6 1.00e-6 7.80e-7
-	24 2 7.80e-7 290 9.40e-5 1.00e-6 1.00e-6 7.80e-7
-	25 1 7.80e-7 290 9.80e-5 1.00e-6 1.00e-6 7.80e-7
-	26 2 7.80e-7 290 1.02e-4 1.00e-6 1.00e-6 7.80e-7
-	27 1 7.80e-7 290 1.06e-4 1.00e-6 1.00e-6 7.80e-7
-	28 2 7.80e-7 290 1.10e-4 1.00e-6 1.00e-6 7.80e-7
-	29 1 7.80e-7 290 1.14e-4 1.00e-6 1.00e-6 7.80e-7
-	30 2 7.80e-7 290 1.18e-4 1.00e-6 1.00e-6 7.80e-7
-	31 1 7.80e-7 290 1.22e-4 1.00e-6 1.00e-6 7.80e-7
-	32 2 7.80e-7 290 1.26e-4 1.00e-6 1.00e-6 7.80e-7
-	33 1 7.80e-7 290 1.30e-4 1.00e-6 1.00e-6 7.80e-7
-	34 2 7.80e-7 290 1.34e-4 1.00e-6 1.00e-6 7.80e-7
-	35 1 7.80e-7 290 1.38e-4 1.00e-6 1.00e-6 7.80e-7
-	36 2 7.80e-7 290 1.42e-4 1.00e-6 1.00e-6 7.80e-7
-	37 1 7.80e-7 290 1.46e-4 1.00e-6 1.00e-6 7.80e-7
-	38 2 7.80e-7 290 1.50e-4 1.00e-6 1.00e-6 7.80e-7
-	39 1 7.80e-7 290 1.54e-4 1.00e-6 1.00e-6 7.80e-7
-	40 2 7.80e-7 290 1.58e-4 1.00e-6 1.00e-6 7.80e-7
-	41 1 7.80e-7 290 1.62e-4 1.00e-6 1.00e-6 7.80e-7
-	42 2 7.80e-7 290 1.66e-4 1.00e-6 1.00e-6 7.80e-7
-	43 1 7.80e-7 290 1.70e-4 1.00e-6 1.00e-6 7.80e-7
-	44 2 7.80e-7 290 1.74e-4 1.00e-6 1.00e-6 7.80e-7
-	45 1 7.80e-7 290 1.78e-4 1.00e-6 1.00e-6 7.80e-7
-	46 2 7.80e-7 290 1.82e-4 1.00e-6 1.00e-6 7.80e-7
-	47 1 7.80e-7 290 1.86e-4 1.00e-6 1.00e-6 7.80e-7
-	48 2 7.80e-7 290 1.90e-4 1.00e-6 1.00e-6 7.80e-7
-	49 1 7.80e-7 290 1.94e-4 1.00e-6 1.00e-6 7.80e-7
-	50 2 7.80e-7 290 1.98e-4 1.00e-6 1.00e-6 7.80e-7
-	51 1 7.80e-7 290 2.00e-6 3.00e-6 1.00e-6 7.80e-7
-	52 2 7.80e-7 290 6.00e-6 3.00e-6 1.00e-6 7.80e-7
-	53 1 7.80e-7 290 1.00e-5 3.00e-6 1.00e-6 7.80e-7
-	54 2 7.80e-7 290 1.40e-5 3.00e-6 1.00e-6 7.80e-7
-	55 1 7.80e-7 290 1.80e-5 3.00e-6 1.00e-6 7.80e-7
-	56 2 7.80e-7 290 2.20e-5 3.00e-6 1.00e-6 7.80e-7
-	57 1 7.80e-7 290 2.60e-5 3.00e-6 1.00e-6 7.80e-7
-	58 2 7.80e-7 290 3.00e-5 3.00e-6 1.00e-6 7.80e-7
-	59 1 7.80e-7 290 3.40e-5 3.00e-6 1.00e-6 7.80e-7
-	60 2 7.80e-7 290 3.80e-5 3.00e-6 1.00e-6 7.80e-7
-	61 1 7.80e-7 290 4.20e-5 3.00e-6 1.00e-6 7.80e-7
-	62 2 7.80e-7 290 4.60e-5 3.00e-6 1.00e-6 7.80e-7
-	63 1 7.80e-7 290 5.00e-5 3.00e-6 1.00e-6 7.80e-7
-	64 2 7.80e-7 290 5.40e-5 3.00e-6 1.00e-6 7.80e-7
-	65 1 7.80e-7 290 5.80e-5 3.00e-6 1.00e-6 7.80e-7
-	66 2 7.80e-7 290 6.20e-5 3.00e-6 1.00e-6 7.80e-7
-	67 1 7.80e-7 290 6.60e-5 3.00e-6 1.00e-6 7.80e-7
-	68 2 7.80e-7 290 7.00e-5 3.00e-6 1.00e-6 7.80e-7
-	69 1 7.80e-7 290 7.40e-5 3.00e-6 1.00e-6 7.80e-7
-	70 2 7.80e-7 290 7.80e-5 3.00e-6 1.00e-6 7.80e-7
-	71 1 7.80e-7 290 8.20e-5 3.00e-6 1.00e-6 7.80e-7
-	72 2 7.80e-7 290 8.60e-5 3.00e-6 1.00e-6 7.80e-7
-	73 1 7.80e-7 290 9.00e-5 3.00e-6 1.00e-6 7.80e-7
-	74 2 7.80e-7 290 9.40e-5 3.00e-6 1.00e-6 7.80e-7
-	75 1 7.80e-7 290 9.80e-5 3.00e-6 1.00e-6 7.80e-7
-	76 2 7.80e-7 290 1.02e-4 3.00e-6 1.00e-6 7.80e-7
-	77 1 7.80e-7 290 1.06e-4 3.00e-6 1.00e-6 7.80e-7
-	78 2 7.80e-7 290 1.10e-4 3.00e-6 1.00e-6 7.80e-7
-	79 1 7.80e-7 290 1.14e-4 3.00e-6 1.00e-6 7.80e-7
-	80 2 7.80e-7 290 1.18e-4 3.00e-6 1.00e-6 7.80e-7
-	81 1 7.80e-7 290 1.22e-4 3.00e-6 1.00e-6 7.80e-7
-	82 2 7.80e-7 290 1.26e-4 3.00e-6 1.00e-6 7.80e-7
-	83 1 7.80e-7 290 1.30e-4 3.00e-6 1.00e-6 7.80e-7
-	84 2 7.80e-7 290 1.34e-4 3.00e-6 1.00e-6 7.80e-7
-	85 1 7.80e-7 290 1.38e-4 3.00e-6 1.00e-6 7.80e-7
-	86 2 7.80e-7 290 1.42e-4 3.00e-6 1.00e-6 7.80e-7
-	87 1 7.80e-7 290 1.46e-4 3.00e-6 1.00e-6 7.80e-7
-	88 2 7.80e-7 290 1.50e-4 3.00e-6 1.00e-6 7.80e-7
-	89 1 7.80e-7 290 1.54e-4 3.00e-6 1.00e-6 7.80e-7
-	90 2 7.80e-7 290 1.58e-4 3.00e-6 1.00e-6 7.80e-7
-	91 1 7.80e-7 290 1.62e-4 3.00e-6 1.00e-6 7.80e-7
-	92 2 7.80e-7 290 1.66e-4 3.00e-6 1.00e-6 7.80e-7
-	93 1 7.80e-7 290 1.70e-4 3.00e-6 1.00e-6 7.80e-7
-	94 2 7.80e-7 290 1.74e-4 3.00e-6 1.00e-6 7.80e-7
-	95 1 7.80e-7 290 1.78e-4 3.00e-6 1.00e-6 7.80e-7
-	96 2 7.80e-7 290 1.82e-4 3.00e-6 1.00e-6 7.80e-7
-	97 1 7.80e-7 290 1.86e-4 3.00e-6 1.00e-6 7.80e-7
-	98 2 7.80e-7 290 1.90e-4 3.00e-6 1.00e-6 7.80e-7
-	99 1 7.80e-7 290 1.94e-4 3.00e-6 1.00e-6 7.80e-7
-	100 2 7.80e-7 290 1.98e-4 3.00e-6 1.00e-6 7.80e-7
-	101 1 7.80e-7 290 2.00e-6 5.00e-6 1.00e-6 7.80e-7
-	102 2 7.80e-7 290 6.00e-6 5.00e-6 1.00e-6 7.80e-7
-	103 1 7.80e-7 290 1.00e-5 5.00e-6 1.00e-6 7.80e-7
-	104 2 7.80e-7 290 1.40e-5 5.00e-6 1.00e-6 7.80e-7
-	105 1 7.80e-7 290 1.80e-5 5.00e-6 1.00e-6 7.80e-7
-	106 2 7.80e-7 290 2.20e-5 5.00e-6 1.00e-6 7.80e-7
-	107 1 7.80e-7 290 2.60e-5 5.00e-6 1.00e-6 7.80e-7
-	108 2 7.80e-7 290 3.00e-5 5.00e-6 1.00e-6 7.80e-7
-	109 1 7.80e-7 290 3.40e-5 5.00e-6 1.00e-6 7.80e-7
-	110 2 7.80e-7 290 3.80e-5 5.00e-6 1.00e-6 7.80e-7
-	111 1 7.80e-7 290 4.20e-5 5.00e-6 1.00e-6 7.80e-7
-	112 2 7.80e-7 290 4.60e-5 5.00e-6 1.00e-6 7.80e-7
-	113 1 7.80e-7 290 5.00e-5 5.00e-6 1.00e-6 7.80e-7
-	114 2 7.80e-7 290 5.40e-5 5.00e-6 1.00e-6 7.80e-7
-	115 1 7.80e-7 290 5.80e-5 5.00e-6 1.00e-6 7.80e-7
-	116 2 7.80e-7 290 6.20e-5 5.00e-6 1.00e-6 7.80e-7
-	117 1 7.80e-7 290 6.60e-5 5.00e-6 1.00e-6 7.80e-7
-	118 2 7.80e-7 290 7.00e-5 5.00e-6 1.00e-6 7.80e-7
-	119 1 7.80e-7 290 7.40e-5 5.00e-6 1.00e-6 7.80e-7
-	120 2 7.80e-7 290 7.80e-5 5.00e-6 1.00e-6 7.80e-7
-	121 1 7.80e-7 290 8.20e-5 5.00e-6 1.00e-6 7.80e-7
-	122 2 7.80e-7 290 8.60e-5 5.00e-6 1.00e-6 7.80e-7
-	123 1 7.80e-7 290 9.00e-5 5.00e-6 1.00e-6 7.80e-7
-	124 2 7.80e-7 290 9.40e-5 5.00e-6 1.00e-6 7.80e-7
-	125 1 7.80e-7 290 9.80e-5 5.00e-6 1.00e-6 7.80e-7
-	126 2 7.80e-7 290 1.02e-4 5.00e-6 1.00e-6 7.80e-7
-	127 1 7.80e-7 290 1.06e-4 5.00e-6 1.00e-6 7.80e-7
-	128 2 7.80e-7 290 1.10e-4 5.00e-6 1.00e-6 7.80e-7
-	129 1 7.80e-7 290 1.14e-4 5.00e-6 1.00e-6 7.80e-7
-	130 2 7.80e-7 290 1.18e-4 5.00e-6 1.00e-6 7.80e-7
-	131 1 7.80e-7 290 1.22e-4 5.00e-6 1.00e-6 7.80e-7
-	132 2 7.80e-7 290 1.26e-4 5.00e-6 1.00e-6 7.80e-7
-	133 1 7.80e-7 290 1.30e-4 5.00e-6 1.00e-6 7.80e-7
-	134 2 7.80e-7 290 1.34e-4 5.00e-6 1.00e-6 7.80e-7
-	135 1 7.80e-7 290 1.38e-4 5.00e-6 1.00e-6 7.80e-7
-	136 2 7.80e-7 290 1.42e-4 5.00e-6 1.00e-6 7.80e-7
-	137 1 7.80e-7 290 1.46e-4 5.00e-6 1.00e-6 7.80e-7
-	138 2 7.80e-7 290 1.50e-4 5.00e-6 1.00e-6 7.80e-7
-	139 1 7.80e-7 290 1.54e-4 5.00e-6 1.00e-6 7.80e-7
-	140 2 7.80e-7 290 1.58e-4 5.00e-6 1.00e-6 7.80e-7
-	141 1 7.80e-7 290 1.62e-4 5.00e-6 1.00e-6 7.80e-7
-	142 2 7.80e-7 290 1.66e-4 5.00e-6 1.00e-6 7.80e-7
-	143 1 7.80e-7 290 1.70e-4 5.00e-6 1.00e-6 7.80e-7
-	144 2 7.80e-7 290 1.74e-4 5.00e-6 1.00e-6 7.80e-7
-	145 1 7.80e-7 290 1.78e-4 5.00e-6 1.00e-6 7.80e-7
-	146 2 7.80e-7 290 1.82e-4 5.00e-6 1.00e-6 7.80e-7
-	147 1 7.80e-7 290 1.86e-4 5.00e-6 1.00e-6 7.80e-7
-	148 2 7.80e-7 290 1.90e-4 5.00e-6 1.00e-6 7.80e-7
-	149 1 7.80e-7 290 1.94e-4 5.00e-6 1.00e-6 7.80e-7
-	150 2 7.80e-7 290 1.98e-4 5.00e-6 1.00e-6 7.80e-7
-	151 1 7.80e-7 290 2.00e-6 7.00e-6 1.00e-6 7.80e-7
-	152 2 7.80e-7 290 6.00e-6 7.00e-6 1.00e-6 7.80e-7
-	153 1 7.80e-7 290 1.00e-5 7.00e-6 1.00e-6 7.80e-7
-	154 2 7.80e-7 290 1.40e-5 7.00e-6 1.00e-6 7.80e-7
-	155 1 7.80e-7 290 1.80e-5 7.00e-6 1.00e-6 7.80e-7
-	156 2 7.80e-7 290 2.20e-5 7.00e-6 1.00e-6 7.80e-7
-	157 1 7.80e-7 290 2.60e-5 7.00e-6 1.00e-6 7.80e-7
-	158 2 7.80e-7 290 3.00e-5 7.00e-6 1.00e-6 7.80e-7
-	159 1 7.80e-7 290 3.40e-5 7.00e-6 1.00e-6 7.80e-7
-	160 2 7.80e-7 290 3.80e-5 7.00e-6 1.00e-6 7.80e-7
-	161 1 7.80e-7 290 4.20e-5 7.00e-6 1.00e-6 7.80e-7
-	162 2 7.80e-7 290 4.60e-5 7.00e-6 1.00e-6 7.80e-7
-	163 1 7.80e-7 290 5.00e-5 7.00e-6 1.00e-6 7.80e-7
-	164 2 7.80e-7 290 5.40e-5 7.00e-6 1.00e-6 7.80e-7
-	165 1 7.80e-7 290 5.80e-5 7.00e-6 1.00e-6 7.80e-7
-	166 2 7.80e-7 290 6.20e-5 7.00e-6 1.00e-6 7.80e-7
-	167 1 7.80e-7 290 6.60e-5 7.00e-6 1.00e-6 7.80e-7
-	168 2 7.80e-7 290 7.00e-5 7.00e-6 1.00e-6 7.80e-7
-	169 1 7.80e-7 290 7.40e-5 7.00e-6 1.00e-6 7.80e-7
-	170 2 7.80e-7 290 7.80e-5 7.00e-6 1.00e-6 7.80e-7
-	171 1 7.80e-7 290 8.20e-5 7.00e-6 1.00e-6 7.80e-7
-	172 2 7.80e-7 290 8.60e-5 7.00e-6 1.00e-6 7.80e-7
-	173 1 7.80e-7 290 9.00e-5 7.00e-6 1.00e-6 7.80e-7
-	174 2 7.80e-7 290 9.40e-5 7.00e-6 1.00e-6 7.80e-7
-	175 1 7.80e-7 290 9.80e-5 7.00e-6 1.00e-6 7.80e-7
-	176 2 7.80e-7 290 1.02e-4 7.00e-6 1.00e-6 7.80e-7
-	177 1 7.80e-7 290 1.06e-4 7.00e-6 1.00e-6 7.80e-7
-	178 2 7.80e-7 290 1.10e-4 7.00e-6 1.00e-6 7.80e-7
-	179 1 7.80e-7 290 1.14e-4 7.00e-6 1.00e-6 7.80e-7
-	180 2 7.80e-7 290 1.18e-4 7.00e-6 1.00e-6 7.80e-7
-	181 1 7.80e-7 290 1.22e-4 7.00e-6 1.00e-6 7.80e-7
-	182 2 7.80e-7 290 1.26e-4 7.00e-6 1.00e-6 7.80e-7
-	183 1 7.80e-7 290 1.30e-4 7.00e-6 1.00e-6 7.80e-7
-	184 2 7.80e-7 290 1.34e-4 7.00e-6 1.00e-6 7.80e-7
-	185 1 7.80e-7 290 1.38e-4 7.00e-6 1.00e-6 7.80e-7
-	186 2 7.80e-7 290 1.42e-4 7.00e-6 1.00e-6 7.80e-7
-	187 1 7.80e-7 290 1.46e-4 7.00e-6 1.00e-6 7.80e-7
-	188 2 7.80e-7 290 1.50e-4 7.00e-6 1.00e-6 7.80e-7
-	189 1 7.80e-7 290 1.54e-4 7.00e-6 1.00e-6 7.80e-7
-	190 2 7.80e-7 290 1.58e-4 7.00e-6 1.00e-6 7.80e-7
-	191 1 7.80e-7 290 1.62e-4 7.00e-6 1.00e-6 7.80e-7
-	192 2 7.80e-7 290 1.66e-4 7.00e-6 1.00e-6 7.80e-7
-	193 1 7.80e-7 290 1.70e-4 7.00e-6 1.00e-6 7.80e-7
-	194 2 7.80e-7 290 1.74e-4 7.00e-6 1.00e-6 7.80e-7
-	195 1 7.80e-7 290 1.78e-4 7.00e-6 1.00e-6 7.80e-7
-	196 2 7.80e-7 290 1.82e-4 7.00e-6 1.00e-6 7.80e-7
-	197 1 7.80e-7 290 1.86e-4 7.00e-6 1.00e-6 7.80e-7
-	198 2 7.80e-7 290 1.90e-4 7.00e-6 1.00e-6 7.80e-7
-	199 1 7.80e-7 290 1.94e-4 7.00e-6 1.00e-6 7.80e-7
-	200 2 7.80e-7 290 1.98e-4 7.00e-6 1.00e-6 7.80e-7
-	201 1 7.80e-7 290 2.00e-6 9.00e-6 1.00e-6 7.80e-7
-	202 2 7.80e-7 290 6.00e-6 9.00e-6 1.00e-6 7.80e-7
-	203 1 7.80e-7 290 1.00e-5 9.00e-6 1.00e-6 7.80e-7
-	204 2 7.80e-7 290 1.40e-5 9.00e-6 1.00e-6 7.80e-7
-	205 1 7.80e-7 290 1.80e-5 9.00e-6 1.00e-6 7.80e-7
-	206 2 7.80e-7 290 2.20e-5 9.00e-6 1.00e-6 7.80e-7
-	207 1 7.80e-7 290 2.60e-5 9.00e-6 1.00e-6 7.80e-7
-	208 2 7.80e-7 290 3.00e-5 9.00e-6 1.00e-6 7.80e-7
-	209 1 7.80e-7 290 3.40e-5 9.00e-6 1.00e-6 7.80e-7
-	210 2 7.80e-7 290 3.80e-5 9.00e-6 1.00e-6 7.80e-7
-	211 1 7.80e-7 290 4.20e-5 9.00e-6 1.00e-6 7.80e-7
-	212 2 7.80e-7 290 4.60e-5 9.00e-6 1.00e-6 7.80e-7
-	213 1 7.80e-7 290 5.00e-5 9.00e-6 1.00e-6 7.80e-7
-	214 2 7.80e-7 290 5.40e-5 9.00e-6 1.00e-6 7.80e-7
-	215 1 7.80e-7 290 5.80e-5 9.00e-6 1.00e-6 7.80e-7
-	216 2 7.80e-7 290 6.20e-5 9.00e-6 1.00e-6 7.80e-7
-	217 1 7.80e-7 290 6.60e-5 9.00e-6 1.00e-6 7.80e-7
-	218 2 7.80e-7 290 7.00e-5 9.00e-6 1.00e-6 7.80e-7
-	219 1 7.80e-7 290 7.40e-5 9.00e-6 1.00e-6 7.80e-7
-	220 2 7.80e-7 290 7.80e-5 9.00e-6 1.00e-6 7.80e-7
-	221 1 7.80e-7 290 8.20e-5 9.00e-6 1.00e-6 7.80e-7
-	222 2 7.80e-7 290 8.60e-5 9.00e-6 1.00e-6 7.80e-7
-	223 1 7.80e-7 290 9.00e-5 9.00e-6 1.00e-6 7.80e-7
-	224 2 7.80e-7 290 9.40e-5 9.00e-6 1.00e-6 7.80e-7
-	225 1 7.80e-7 290 9.80e-5 9.00e-6 1.00e-6 7.80e-7
-	226 2 7.80e-7 290 1.02e-4 9.00e-6 1.00e-6 7.80e-7
-	227 1 7.80e-7 290 1.06e-4 9.00e-6 1.00e-6 7.80e-7
-	228 2 7.80e-7 290 1.10e-4 9.00e-6 1.00e-6 7.80e-7
-	229 1 7.80e-7 290 1.14e-4 9.00e-6 1.00e-6 7.80e-7
-	230 2 7.80e-7 290 1.18e-4 9.00e-6 1.00e-6 7.80e-7
-	231 1 7.80e-7 290 1.22e-4 9.00e-6 1.00e-6 7.80e-7
-	232 2 7.80e-7 290 1.26e-4 9.00e-6 1.00e-6 7.80e-7
-	233 1 7.80e-7 290 1.30e-4 9.00e-6 1.00e-6 7.80e-7
-	234 2 7.80e-7 290 1.34e-4 9.00e-6 1.00e-6 7.80e-7
-	235 1 7.80e-7 290 1.38e-4 9.00e-6 1.00e-6 7.80e-7
-	236 2 7.80e-7 290 1.42e-4 9.00e-6 1.00e-6 7.80e-7
-	237 1 7.80e-7 290 1.46e-4 9.00e-6 1.00e-6 7.80e-7
-	238 2 7.80e-7 290 1.50e-4 9.00e-6 1.00e-6 7.80e-7
-	239 1 7.80e-7 290 1.54e-4 9.00e-6 1.00e-6 7.80e-7
-	240 2 7.80e-7 290 1.58e-4 9.00e-6 1.00e-6 7.80e-7
-	241 1 7.80e-7 290 1.62e-4 9.00e-6 1.00e-6 7.80e-7
-	242 2 7.80e-7 290 1.66e-4 9.00e-6 1.00e-6 7.80e-7
-	243 1 7.80e-7 290 1.70e-4 9.00e-6 1.00e-6 7.80e-7
-	244 2 7.80e-7 290 1.74e-4 9.00e-6 1.00e-6 7.80e-7
-	245 1 7.80e-7 290 1.78e-4 9.00e-6 1.00e-6 7.80e-7
-	246 2 7.80e-7 290 1.82e-4 9.00e-6 1.00e-6 7.80e-7
-	247 1 7.80e-7 290 1.86e-4 9.00e-6 1.00e-6 7.80e-7
-	248 2 7.80e-7 290 1.90e-4 9.00e-6 1.00e-6 7.80e-7
-	249 1 7.80e-7 290 1.94e-4 9.00e-6 1.00e-6 7.80e-7
-	250 2 7.80e-7 290 1.98e-4 9.00e-6 1.00e-6 7.80e-7
-
-
- Nutrients
-
-     1 o2 l pp pp nd 3.13e-5 3.13e-5
-     2 h2o l pp pp nd 1 1
-     3 h l pp pp nd 0 0
-
- Type Name
-
-     1 hetr
-     2 hety
-
- Diffusion Coeffs
-     
-     o2 2e-9
-     h2o 0
-     h 0 
-
- Ks
-     
-     hety 9.38e-6 0 0
-     hetr 1.88e-5 0 0
-
- Consumption Rate
-
-     hety 0.000381111
-     hetr 0.001524167
-
- Yield
-    
-     hety 0.0598373984
-     hetr 0.0299186992
-
- Maintenance
- 
-     hety 0
-     hetr 0
-
- Electron Donor
-    
-     hety o2
-     hetr o2
-
- Decay
-
-     hety 0
-     hetr 0
-
- Catabolism Coeffs
-         
-     hety -1 0 0
-     hetr -1 0 0
-
- Anabolism Coeffs
-          
-     hety 0 0 0
-     hetr 0 0 0
- 
- Decay Coeffs
-           
-     hety 0 0 0
-     hetr 0 0 0
- 
- Nutrient Energy
-
-    o2 inf 16.4 inf inf inf 2
-    h2o inf -237.18 -157.3 inf inf 2
-    h inf 0 inf inf inf 2
-
- Type Energy
-
-     hety inf -68 inf inf inf 2 
-     hetr inf -67 inf inf inf 2
-
- Nutrient Charge
-  
-    o2 na 0 na na na
-    h2o na 0 -1 na na
-    h na 1 na na na
-                            
- Dissipation
-
-     hety 0
-     hetr 0
-
-
diff --git a/examples/competition-energy/alter-fifty/visual/0_images/.data b/examples/competition-energy/alter-fifty/visual/0_images/.data
deleted file mode 100644
index e69de29bb..000000000
diff --git a/examples/competition-energy/alter-fifty/visual/PvrRotate200.m b/examples/competition-energy/alter-fifty/visual/PvrRotate200.m
deleted file mode 100644
index b57ecf68c..000000000
--- a/examples/competition-energy/alter-fifty/visual/PvrRotate200.m
+++ /dev/null
@@ -1,56 +0,0 @@
-function [ POV_RAY ] = PvrRotate200(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-fprintf(fid,['location <0, 100e-2, 10e-2>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-fprintf(fid,'look_at 0\n')
-fprintf(fid,'rotate <0, 0, 20>\n', rotate);
-fprintf(fid,'}\n');
-fprintf(fid,'// Create simualtion domain\n');
-fprintf(fid,'#declare b_x=0.1;\n');
-fprintf(fid,'#declare b_y=0.005;\n');
-fprintf(fid,'#declare b_z=0.1;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}\n');
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/examples/competition-energy/alter-fifty/visual/import.pov b/examples/competition-energy/alter-fifty/visual/import.pov
deleted file mode 100644
index 33f1bf549..000000000
--- a/examples/competition-energy/alter-fifty/visual/import.pov
+++ /dev/null
@@ -1,32 +0,0 @@
-#include "shapes.inc"
-// Right-handed coordinate system in which the z-axis points upwards
-camera {
-location <0, 100e-2, 10e-2>
-sky z
-right 0.24*x*image_width/image_height
-up 0.24*y
-look_at <0, 0, 0>
-look_at 0
-rotate <0, 0, 20>
-}
-// Create simualtion domain
-#declare b_x=0.1;
-#declare b_y=0.005;
-#declare b_z=0.1;
-object{ 
-Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) 
- texture{ pigment{ color rgb<1,1,1>}}
-}
-// White background
-background{rgb 1}
-// Two lights with slightly different colors
-light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}
-light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}
-// Radius of the Voronoi cell network
-#declare r=0.05;
-// Radius of the particles
-#declare s=0.6;
-// Particles
-union{
-#include "data_p.pov"
-}
diff --git a/examples/competition-energy/alter-fifty/visual/run.sh b/examples/competition-energy/alter-fifty/visual/run.sh
deleted file mode 100755
index 99cf7c224..000000000
--- a/examples/competition-energy/alter-fifty/visual/run.sh
+++ /dev/null
@@ -1,4 +0,0 @@
-#!/bin/bash
-# Matlab povray script
-
-matlab -nodisplay -nosplash -nodesktop -r "run('visual200.m');exit;"
diff --git a/examples/competition-energy/alter-fifty/visual/visual200.m b/examples/competition-energy/alter-fifty/visual/visual200.m
deleted file mode 100644
index 9e6ff8733..000000000
--- a/examples/competition-energy/alter-fifty/visual/visual200.m
+++ /dev/null
@@ -1,84 +0,0 @@
-clear;
-  dump = fopen('snapshot.bubblemd','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-0.1;
-Y = C{5}*1e+3-0.005;
-Z = C{6}*1e+3-0.1;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.8;
-        GREEN = 0.2;
-        BLUE = 0.2;
-        end 
-        
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrRotate200(image, i)
-
-generate=['povray +H3000 +W3000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/examples/competition-energy/alter-five/Inputscript.lammps b/examples/competition-energy/alter-five/Inputscript.lammps
deleted file mode 100644
index 359481eef..000000000
--- a/examples/competition-energy/alter-five/Inputscript.lammps
+++ /dev/null
@@ -1,81 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * *
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 600
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-variable kanc equal 50
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0   2e-4
-fix zwa all walladh v_kanc zplane  0.0   2e-4
-
-##############Define IBm Variables##############
-
-#Defining EPS density and ratio variables
-variable EPSdens equal 30
-variable EPSratio equal 1.25
-
-#variables used in fix division
-variable divDia equal 0.78e-6
-
-#Defining diffusion variables
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable etaHET equal 0.0
-variable layer equal 4e-5
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 1 100 5 100 v_diffT v_layer demflag 0 niter 10000
-fix ki2 all kinetics/thermo
-fix ki1 all kinetics/growth/energy v_EPSdens	
-fix ki3 all kinetics/ph fix 
-fix g1 all kinetics/diffusion v_tol 
-fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-
-##############Simulation outputs##############
-
-#dump 		du2 all grid 100000 grid_%_*.vti con
-#dump		du1 all vtk 1000000 snapshot.bubblemd.vtu id type diameter x y z
-dump            du0 all bio 1000000 ntypes biomass
-dump		du3 all custom 5000000 snapshot.bubblemd id type diameter x y z
-thermo_style    custom step cpu atoms c_myNtypes[*] 
-thermo		1000
-thermo_modify	lost ignore
-
-##############Define Bio-loop and DEM-subloop##############
-
-run 4320 pre no post no every 1 &
-"fix_modify k1 demflag 1" &
-"fix_modify d1 demflag 1" &
-"timestep 1e-3" &
-"run 10000 pre no post no" &
-"timestep 600" &
-"fix_modify k1 demflag 0" &
-"fix_modify d1 demflag 0" &
-
diff --git a/examples/competition-energy/alter-five/atom.in b/examples/competition-energy/alter-five/atom.in
deleted file mode 100644
index 9a1f823f5..000000000
--- a/examples/competition-energy/alter-five/atom.in
+++ /dev/null
@@ -1,150 +0,0 @@
-  Granular Flow Simulation 
-
-       50 atoms 
-       2 atom types 
-       3 nutrients
-
-   0.0   2.0e-04  xlo xhi 
-   0.0   1.0e-05  ylo yhi 
-   0.0   2.0e-04  zlo zhi 
-
- Atoms
-
-     1 1 0.78e-6 290 0.5e-5 3e-6 1e-6 0.78e-6  
-     2 2 0.78e-6 290 2.5e-5 3e-6 1e-6 0.78e-6  
-     3 1 0.78e-6 290 4.5e-5 3e-6 1e-6 0.78e-6  
-     4 2 0.78e-6 290 6.5e-5 3e-6 1e-6 0.78e-6  
-     5 1 0.78e-6 290 8.5e-5 3e-6 1e-6 0.78e-6  
-     6 2 0.78e-6 290 10.5e-5 3e-6 1e-6 0.78e-6  
-     7 1 0.78e-6 290 12.5e-5 3e-6 1e-6 0.78e-6  
-     8 2 0.78e-6 290 14.5e-5 3e-6 1e-6 0.78e-6  
-     9 1 0.78e-6 290 16.5e-5 3e-6 1e-6 0.78e-6  
-     10 2 0.78e-6 290 18.5e-5 3e-6 1e-6 0.78e-6  
-     11 1 0.78e-6 290 0.5e-5 7e-6 1e-6 0.78e-6  
-     12 2 0.78e-6 290 2.5e-5 7e-6 1e-6 0.78e-6  
-     13 1 0.78e-6 290 4.5e-5 7e-6 1e-6 0.78e-6  
-     14 2 0.78e-6 290 6.5e-5 7e-6 1e-6 0.78e-6  
-     15 1 0.78e-6 290 8.5e-5 7e-6 1e-6 0.78e-6  
-     16 2 0.78e-6 290 10.5e-5 7e-6 1e-6 0.78e-6  
-     17 1 0.78e-6 290 12.5e-5 7e-6 1e-6 0.78e-6  
-     18 2 0.78e-6 290 14.5e-5 7e-6 1e-6 0.78e-6  
-     19 1 0.78e-6 290 16.5e-5 7e-6 1e-6 0.78e-6  
-     20 2 0.78e-6 290 18.5e-5 7e-6 1e-6 0.78e-6  
-     21 1 0.78e-6 290 0.5e-5 1e-6 1e-6 0.78e-6  
-     22 2 0.78e-6 290 2.5e-5 1e-6 1e-6 0.78e-6  
-     23 1 0.78e-6 290 4.5e-5 1e-6 1e-6 0.78e-6  
-     24 2 0.78e-6 290 6.5e-5 1e-6 1e-6 0.78e-6  
-     25 1 0.78e-6 290 8.5e-5 1e-6 1e-6 0.78e-6  
-     26 2 0.78e-6 290 10.5e-5 1e-6 1e-6 0.78e-6  
-     27 1 0.78e-6 290 12.5e-5 1e-6 1e-6 0.78e-6  
-     28 2 0.78e-6 290 14.5e-5 1e-6 1e-6 0.78e-6  
-     29 1 0.78e-6 290 16.5e-5 1e-6 1e-6 0.78e-6  
-     30 2 0.78e-6 290 18.5e-5 1e-6 1e-6 0.78e-6  
-     31 1 0.78e-6 290 0.5e-5 5e-6 1e-6 0.78e-6  
-     32 2 0.78e-6 290 2.5e-5 5e-6 1e-6 0.78e-6  
-     33 1 0.78e-6 290 4.5e-5 5e-6 1e-6 0.78e-6  
-     34 2 0.78e-6 290 6.5e-5 5e-6 1e-6 0.78e-6  
-     35 1 0.78e-6 290 8.5e-5 5e-6 1e-6 0.78e-6  
-     36 2 0.78e-6 290 10.5e-5 5e-6 1e-6 0.78e-6  
-     37 1 0.78e-6 290 12.5e-5 5e-6 1e-6 0.78e-6  
-     38 2 0.78e-6 290 14.5e-5 5e-6 1e-6 0.78e-6  
-     39 1 0.78e-6 290 16.5e-5 5e-6 1e-6 0.78e-6  
-     40 2 0.78e-6 290 18.5e-5 5e-6 1e-6 0.78e-6  
-     41 1 0.78e-6 290 0.5e-5 9e-6 1e-6 0.78e-6  
-     42 2 0.78e-6 290 2.5e-5 9e-6 1e-6 0.78e-6  
-     43 1 0.78e-6 290 4.5e-5 9e-6 1e-6 0.78e-6  
-     44 2 0.78e-6 290 6.5e-5 9e-6 1e-6 0.78e-6  
-     45 1 0.78e-6 290 8.5e-5 9e-6 1e-6 0.78e-6  
-     46 2 0.78e-6 290 10.5e-5 9e-6 1e-6 0.78e-6  
-     47 1 0.78e-6 290 12.5e-5 9e-6 1e-6 0.78e-6  
-     48 2 0.78e-6 290 14.5e-5 9e-6 1e-6 0.78e-6  
-     49 1 0.78e-6 290 16.5e-5 9e-6 1e-6 0.78e-6  
-     50 2 0.78e-6 290 18.5e-5 9e-6 1e-6 0.78e-6  
-
-
-
- Nutrients
-
-     1 o2 l pp pp nd 3.13e-5 3.13e-5
-     2 h2o l pp pp nd 1 1
-     3 h l pp pp nd 0 0
-
- Type Name
-
-     1 hetr
-     2 hety
-
- Diffusion Coeffs
-     
-     o2 2e-9
-     h2o 0
-     h 0 
-
- Ks
-     
-     hety 9.38e-6 0 0
-     hetr 1.88e-5 0 0
-
- Consumption Rate
-
-     hety 0.000381111
-     hetr 0.001524167
-
- Yield
-    
-     hety 0.0598373984
-     hetr 0.0299186992
-
- Maintenance
- 
-     hety 0
-     hetr 0
-
- Electron Donor
-    
-     hety o2
-     hetr o2
-
- Decay
-
-     hety 0
-     hetr 0
-
- Catabolism Coeffs
-         
-     hety -1 0 0
-     hetr -1 0 0
-
- Anabolism Coeffs
-          
-     hety 0 0 0
-     hetr 0 0 0
- 
- Decay Coeffs
-           
-     hety 0 0 0
-     hetr 0 0 0
- 
- Nutrient Energy
-
-    o2 inf 16.4 inf inf inf 2
-    h2o inf -237.18 -157.3 inf inf 2
-    h inf 0 inf inf inf 2
-
- Type Energy
-
-     hety inf -68 inf inf inf 2 
-     hetr inf -67 inf inf inf 2
-
- Nutrient Charge
-  
-    o2 na 0 na na na
-    h2o na 0 -1 na na
-    h na 1 na na na
-
- Dissipation
-
-     hety 0
-     hetr 0
-
-
diff --git a/examples/competition-energy/alter-five/visual/0_images/.data b/examples/competition-energy/alter-five/visual/0_images/.data
deleted file mode 100644
index e69de29bb..000000000
diff --git a/examples/competition-energy/alter-five/visual/PvrRotate200.m b/examples/competition-energy/alter-five/visual/PvrRotate200.m
deleted file mode 100644
index b57ecf68c..000000000
--- a/examples/competition-energy/alter-five/visual/PvrRotate200.m
+++ /dev/null
@@ -1,56 +0,0 @@
-function [ POV_RAY ] = PvrRotate200(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-fprintf(fid,['location <0, 100e-2, 10e-2>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-fprintf(fid,'look_at 0\n')
-fprintf(fid,'rotate <0, 0, 20>\n', rotate);
-fprintf(fid,'}\n');
-fprintf(fid,'// Create simualtion domain\n');
-fprintf(fid,'#declare b_x=0.1;\n');
-fprintf(fid,'#declare b_y=0.005;\n');
-fprintf(fid,'#declare b_z=0.1;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}\n');
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/examples/competition-energy/alter-five/visual/run.sh b/examples/competition-energy/alter-five/visual/run.sh
deleted file mode 100755
index 99cf7c224..000000000
--- a/examples/competition-energy/alter-five/visual/run.sh
+++ /dev/null
@@ -1,4 +0,0 @@
-#!/bin/bash
-# Matlab povray script
-
-matlab -nodisplay -nosplash -nodesktop -r "run('visual200.m');exit;"
diff --git a/examples/competition-energy/alter-five/visual/visual200.m b/examples/competition-energy/alter-five/visual/visual200.m
deleted file mode 100644
index 9e6ff8733..000000000
--- a/examples/competition-energy/alter-five/visual/visual200.m
+++ /dev/null
@@ -1,84 +0,0 @@
-clear;
-  dump = fopen('snapshot.bubblemd','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-0.1;
-Y = C{5}*1e+3-0.005;
-Z = C{6}*1e+3-0.1;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.8;
-        GREEN = 0.2;
-        BLUE = 0.2;
-        end 
-        
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrRotate200(image, i)
-
-generate=['povray +H3000 +W3000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/examples/competition-energy/alter-ten/Inputscript.lammps b/examples/competition-energy/alter-ten/Inputscript.lammps
deleted file mode 100644
index 66b121930..000000000
--- a/examples/competition-energy/alter-ten/Inputscript.lammps
+++ /dev/null
@@ -1,81 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * *
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 600
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-variable kanc equal 50
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0   2e-4
-fix zwa all walladh v_kanc zplane  0.0   2e-4
-
-##############Define IBm Variables##############
-
-#Defining EPS density and ratio variables
-variable EPSdens equal 30
-variable EPSratio equal 1.25
-
-#variables used in fix division
-variable divDia equal 0.78e-6
-
-#Defining diffusion variables
-variable diffT equal 1e-4
-variable tol equal 5e-8
-variable etaHET equal 0.0
-variable layer equal 4e-5
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 1 100 5 100 v_diffT v_layer demflag 0 niter 10000
-fix ki2 all kinetics/thermo
-fix ki3 all kinetics/ph fix 
-fix ki1 all kinetics/growth/energy v_EPSdens	
-fix g1 all kinetics/diffusion v_tol 
-fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-
-##############Simulation outputs##############
-
-#dump 		du2 all grid 1000000 grid_%_*.vti con
-#dump		du1 all vtk 1000000 snapshot.bubblemd id type diameter x y z
-dump            du0 all bio 1000000 ntypes biomass
-dump		du3 all custom 5000000 snapshot.bubblemd.vtu id type diameter x y z
-thermo_style    custom step cpu atoms c_myNtypes[*] 
-thermo		1000
-thermo_modify	lost ignore
-
-##############Define Bio-loop and DEM-subloop##############
-
-run 4320 pre no post no every 1 &
-"fix_modify k1 demflag 1" &
-"fix_modify d1 demflag 1" &
-"timestep 1e-3" &
-"run 10000 pre no post no" &
-"timestep 600" &
-"fix_modify k1 demflag 0" &
-"fix_modify d1 demflag 0" &
-
diff --git a/examples/competition-energy/alter-ten/atom.in b/examples/competition-energy/alter-ten/atom.in
deleted file mode 100644
index df2f51f6c..000000000
--- a/examples/competition-energy/alter-ten/atom.in
+++ /dev/null
@@ -1,198 +0,0 @@
-  Granular Flow Simulation 
-
-       100 atoms 
-       2 atom types 
-       3 nutrients
-
-   0.0   2.0e-04  xlo xhi 
-   0.0   1.0e-05  ylo yhi 
-   0.0   2.0e-04  zlo zhi 
-
- Atoms
-
-     1 1 0.78e-6 290 0.5e-5 3e-6 1e-6 0.78e-6  
-     2 2 0.78e-6 290 1.5e-5 3e-6 1e-6 0.78e-6  
-     3 1 0.78e-6 290 2.5e-5 3e-6 1e-6 0.78e-6  
-     4 2 0.78e-6 290 3.5e-5 3e-6 1e-6 0.78e-6  
-     5 1 0.78e-6 290 4.5e-5 3e-6 1e-6 0.78e-6  
-     6 2 0.78e-6 290 5.5e-5 3e-6 1e-6 0.78e-6  
-     7 1 0.78e-6 290 6.5e-5 3e-6 1e-6 0.78e-6  
-     8 2 0.78e-6 290 7.5e-5 3e-6 1e-6 0.78e-6  
-     9 1 0.78e-6 290 8.5e-5 3e-6 1e-6 0.78e-6  
-     10 2 0.78e-6 290 9.5e-5 3e-6 1e-6 0.78e-6  
-     11 1 0.78e-6 290 10.5e-5 3e-6 1e-6 0.78e-6  
-     12 2 0.78e-6 290 11.5e-5 3e-6 1e-6 0.78e-6  
-     13 1 0.78e-6 290 12.5e-5 3e-6 1e-6 0.78e-6  
-     14 2 0.78e-6 290 13.5e-5 3e-6 1e-6 0.78e-6  
-     15 1 0.78e-6 290 14.5e-5 3e-6 1e-6 0.78e-6  
-     16 2 0.78e-6 290 15.5e-5 3e-6 1e-6 0.78e-6  
-     17 1 0.78e-6 290 16.5e-5 3e-6 1e-6 0.78e-6  
-     18 2 0.78e-6 290 17.5e-5 3e-6 1e-6 0.78e-6  
-     19 1 0.78e-6 290 18.5e-5 3e-6 1e-6 0.78e-6  
-     20 2 0.78e-6 290 19.5e-5 3e-6 1e-6 0.78e-6  
-     21 1 0.78e-6 290 0.5e-5 7e-6 1e-6 0.78e-6  
-     22 2 0.78e-6 290 1.5e-5 7e-6 1e-6 0.78e-6  
-     23 1 0.78e-6 290 2.5e-5 7e-6 1e-6 0.78e-6  
-     24 2 0.78e-6 290 3.5e-5 7e-6 1e-6 0.78e-6  
-     25 1 0.78e-6 290 4.5e-5 7e-6 1e-6 0.78e-6  
-     26 2 0.78e-6 290 5.5e-5 7e-6 1e-6 0.78e-6  
-     27 1 0.78e-6 290 6.5e-5 7e-6 1e-6 0.78e-6  
-     28 2 0.78e-6 290 7.5e-5 7e-6 1e-6 0.78e-6  
-     29 1 0.78e-6 290 8.5e-5 7e-6 1e-6 0.78e-6  
-     30 2 0.78e-6 290 9.5e-5 7e-6 1e-6 0.78e-6  
-     31 1 0.78e-6 290 10.5e-5 7e-6 1e-6 0.78e-6  
-     32 2 0.78e-6 290 11.5e-5 7e-6 1e-6 0.78e-6  
-     33 1 0.78e-6 290 12.5e-5 7e-6 1e-6 0.78e-6  
-     34 2 0.78e-6 290 13.5e-5 7e-6 1e-6 0.78e-6  
-     35 1 0.78e-6 290 14.5e-5 7e-6 1e-6 0.78e-6  
-     36 2 0.78e-6 290 15.5e-5 7e-6 1e-6 0.78e-6  
-     37 1 0.78e-6 290 16.5e-5 7e-6 1e-6 0.78e-6  
-     38 2 0.78e-6 290 17.5e-5 7e-6 1e-6 0.78e-6  
-     39 1 0.78e-6 290 18.5e-5 7e-6 1e-6 0.78e-6  
-     40 2 0.78e-6 290 19.5e-5 7e-6 1e-6 0.78e-6  
-     41 1 0.78e-6 290 0.5e-5 1e-6 1e-6 0.78e-6  
-     42 2 0.78e-6 290 1.5e-5 1e-6 1e-6 0.78e-6  
-     43 1 0.78e-6 290 2.5e-5 1e-6 1e-6 0.78e-6  
-     44 2 0.78e-6 290 3.5e-5 1e-6 1e-6 0.78e-6  
-     45 1 0.78e-6 290 4.5e-5 1e-6 1e-6 0.78e-6  
-     46 2 0.78e-6 290 5.5e-5 1e-6 1e-6 0.78e-6  
-     47 1 0.78e-6 290 6.5e-5 1e-6 1e-6 0.78e-6  
-     48 2 0.78e-6 290 7.5e-5 1e-6 1e-6 0.78e-6  
-     49 1 0.78e-6 290 8.5e-5 1e-6 1e-6 0.78e-6  
-     50 2 0.78e-6 290 9.5e-5 1e-6 1e-6 0.78e-6  
-     51 1 0.78e-6 290 10.5e-5 1e-6 1e-6 0.78e-6  
-     52 2 0.78e-6 290 11.5e-5 1e-6 1e-6 0.78e-6  
-     53 1 0.78e-6 290 12.5e-5 1e-6 1e-6 0.78e-6  
-     54 2 0.78e-6 290 13.5e-5 1e-6 1e-6 0.78e-6  
-     55 1 0.78e-6 290 14.5e-5 1e-6 1e-6 0.78e-6  
-     56 2 0.78e-6 290 15.5e-5 1e-6 1e-6 0.78e-6  
-     57 1 0.78e-6 290 16.5e-5 1e-6 1e-6 0.78e-6  
-     58 2 0.78e-6 290 17.5e-5 1e-6 1e-6 0.78e-6  
-     59 1 0.78e-6 290 18.5e-5 1e-6 1e-6 0.78e-6  
-     60 2 0.78e-6 290 19.5e-5 1e-6 1e-6 0.78e-6  
-     61 1 0.78e-6 290 0.5e-5 5e-6 1e-6 0.78e-6  
-     62 2 0.78e-6 290 1.5e-5 5e-6 1e-6 0.78e-6  
-     63 1 0.78e-6 290 2.5e-5 5e-6 1e-6 0.78e-6  
-     64 2 0.78e-6 290 3.5e-5 5e-6 1e-6 0.78e-6  
-     65 1 0.78e-6 290 4.5e-5 5e-6 1e-6 0.78e-6  
-     66 2 0.78e-6 290 5.5e-5 5e-6 1e-6 0.78e-6  
-     67 1 0.78e-6 290 6.5e-5 5e-6 1e-6 0.78e-6  
-     68 2 0.78e-6 290 7.5e-5 5e-6 1e-6 0.78e-6  
-     69 1 0.78e-6 290 8.5e-5 5e-6 1e-6 0.78e-6  
-     70 2 0.78e-6 290 9.5e-5 5e-6 1e-6 0.78e-6  
-     71 1 0.78e-6 290 10.5e-5 5e-6 1e-6 0.78e-6  
-     72 2 0.78e-6 290 11.5e-5 5e-6 1e-6 0.78e-6  
-     73 1 0.78e-6 290 12.5e-5 5e-6 1e-6 0.78e-6  
-     74 2 0.78e-6 290 13.5e-5 5e-6 1e-6 0.78e-6  
-     75 1 0.78e-6 290 14.5e-5 5e-6 1e-6 0.78e-6  
-     76 2 0.78e-6 290 15.5e-5 5e-6 1e-6 0.78e-6  
-     77 1 0.78e-6 290 16.5e-5 5e-6 1e-6 0.78e-6  
-     78 2 0.78e-6 290 17.5e-5 5e-6 1e-6 0.78e-6  
-     79 1 0.78e-6 290 18.5e-5 5e-6 1e-6 0.78e-6  
-     80 2 0.78e-6 290 19.5e-5 5e-6 1e-6 0.78e-6  
-     81 1 0.78e-6 290 0.5e-5 9e-6 1e-6 0.78e-6  
-     82 2 0.78e-6 290 1.5e-5 9e-6 1e-6 0.78e-6  
-     83 1 0.78e-6 290 2.5e-5 9e-6 1e-6 0.78e-6  
-     84 2 0.78e-6 290 3.5e-5 9e-6 1e-6 0.78e-6  
-     85 1 0.78e-6 290 4.5e-5 9e-6 1e-6 0.78e-6  
-     86 2 0.78e-6 290 5.5e-5 9e-6 1e-6 0.78e-6  
-     87 1 0.78e-6 290 6.5e-5 9e-6 1e-6 0.78e-6  
-     88 2 0.78e-6 290 7.5e-5 9e-6 1e-6 0.78e-6  
-     89 1 0.78e-6 290 8.5e-5 9e-6 1e-6 0.78e-6  
-     90 2 0.78e-6 290 9.5e-5 9e-6 1e-6 0.78e-6  
-     91 1 0.78e-6 290 10.5e-5 9e-6 1e-6 0.78e-6  
-     92 2 0.78e-6 290 11.5e-5 9e-6 1e-6 0.78e-6  
-     93 1 0.78e-6 290 12.5e-5 9e-6 1e-6 0.78e-6  
-     94 2 0.78e-6 290 13.5e-5 9e-6 1e-6 0.78e-6  
-     95 1 0.78e-6 290 14.5e-5 9e-6 1e-6 0.78e-6  
-     96 2 0.78e-6 290 15.5e-5 9e-6 1e-6 0.78e-6  
-     97 1 0.78e-6 290 16.5e-5 9e-6 1e-6 0.78e-6  
-     98 2 0.78e-6 290 17.5e-5 9e-6 1e-6 0.78e-6  
-     99 1 0.78e-6 290 18.5e-5 9e-6 1e-6 0.78e-6  
-     100 2 0.78e-6 290 19.5e-5 9e-6 1e-6 0.78e-6  
-
- Nutrients
-
-     1 o2 l pp pp nd 3.13e-5 3.13e-5
-     2 h2o l pp pp nd 1 1
-     3 h l pp pp nd 0 0
-
- Type Name
-
-     1 hetr
-     2 hety
-
- Diffusion Coeffs
-     
-     o2 2e-9
-     h2o 0
-     h 0 
-
- Ks
-     
-     hety 9.38e-6 0 0
-     hetr 1.88e-5 0 0
-
- Consumption Rate
-
-     hety 0.000381111
-     hetr 0.001524167
-
- Yield
-    
-     hety 0.0598373984
-     hetr 0.0299186992
-
- Maintenance
- 
-     hety 0
-     hetr 0
-
- Electron Donor
-    
-     hety o2
-     hetr o2
-
- Decay
-
-     hety 0
-     hetr 0
-
- Catabolism Coeffs
-         
-     hety -1 0 0
-     hetr -1 0 0
-
- Anabolism Coeffs
-          
-     hety 0 0 0
-     hetr 0 0 0
- 
- Decay Coeffs
-           
-     hety 0 0 0
-     hetr 0 0 0
- 
- Nutrient Energy
-
-    o2 inf 16.4 inf inf inf 2
-    h2o inf -237.18 -157.3 inf inf 2
-    h inf 0 inf inf inf 2
-
- Type Energy
-
-     hety inf -68 inf inf inf 2 
-     hetr inf -67 inf inf inf 2
-
- Nutrient Charge
-  
-    o2 na 0 na na na
-    h2o na 0 -1 na na
-    h na 1 na na na
-
- Dissipation
-
-     hety 0
-     hetr 0
-
-
diff --git a/examples/competition-energy/alter-ten/visual/0_images/.data b/examples/competition-energy/alter-ten/visual/0_images/.data
deleted file mode 100644
index e69de29bb..000000000
diff --git a/examples/competition-energy/alter-ten/visual/PvrRotate200.m b/examples/competition-energy/alter-ten/visual/PvrRotate200.m
deleted file mode 100644
index b57ecf68c..000000000
--- a/examples/competition-energy/alter-ten/visual/PvrRotate200.m
+++ /dev/null
@@ -1,56 +0,0 @@
-function [ POV_RAY ] = PvrRotate200(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-fprintf(fid,['location <0, 100e-2, 10e-2>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-fprintf(fid,'look_at 0\n')
-fprintf(fid,'rotate <0, 0, 20>\n', rotate);
-fprintf(fid,'}\n');
-fprintf(fid,'// Create simualtion domain\n');
-fprintf(fid,'#declare b_x=0.1;\n');
-fprintf(fid,'#declare b_y=0.005;\n');
-fprintf(fid,'#declare b_z=0.1;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}\n');
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/examples/competition-energy/alter-ten/visual/run.sh b/examples/competition-energy/alter-ten/visual/run.sh
deleted file mode 100644
index 99cf7c224..000000000
--- a/examples/competition-energy/alter-ten/visual/run.sh
+++ /dev/null
@@ -1,4 +0,0 @@
-#!/bin/bash
-# Matlab povray script
-
-matlab -nodisplay -nosplash -nodesktop -r "run('visual200.m');exit;"
diff --git a/examples/competition-energy/alter-ten/visual/visual200.m b/examples/competition-energy/alter-ten/visual/visual200.m
deleted file mode 100644
index 9e6ff8733..000000000
--- a/examples/competition-energy/alter-ten/visual/visual200.m
+++ /dev/null
@@ -1,84 +0,0 @@
-clear;
-  dump = fopen('snapshot.bubblemd','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-0.1;
-Y = C{5}*1e+3-0.005;
-Z = C{6}*1e+3-0.1;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.8;
-        GREEN = 0.2;
-        BLUE = 0.2;
-        end 
-        
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrRotate200(image, i)
-
-generate=['povray +H3000 +W3000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/examples/competition-energy/pure-rs/Inputscript.lammps b/examples/competition-energy/pure-rs/Inputscript.lammps
deleted file mode 100644
index f1ed4be4f..000000000
--- a/examples/competition-energy/pure-rs/Inputscript.lammps
+++ /dev/null
@@ -1,81 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * *
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 600
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-variable kanc equal 50
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0   2e-4
-fix zwa all walladh v_kanc zplane  0.0   2e-4
-
-##############Define IBm Variables##############
-
-#Defining EPS density and ratio variables
-variable EPSdens equal 30
-variable EPSratio equal 1.25
-
-#variables used in fix division
-variable divDia equal 0.78e-6
-
-#Defining diffusion variables
-variable diffT equal 1e-4
-variable tol equal 5e-8
-variable etaHET equal 0.0
-variable layer equal 4e-5
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 1 100 5 100 v_diffT v_layer demflag 0 niter 10000
-fix ki2 all kinetics/thermo
-fix ki3 all kinetics/ph fix 
-fix ki1 all kinetics/growth/energy v_EPSdens	
-fix g1 all kinetics/diffusion v_tol 
-fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-
-##############Simulation outputs##############
-
-#dump 		du2 all grid 1000000 grid_%_*.vti con
-#dump		du1 all vtk 1000000 snapshot.bubblemd.vtu id type diameter x y z
-dump            du0 all bio 1000000 ntypes biomass
-dump		du3 all custom 5000000 snapshot.bubblemd id type diameter x y z
-thermo_style    custom step cpu atoms c_myNtypes[*] 
-thermo		1000
-thermo_modify	lost ignore
-
-##############Define Bio-loop and DEM-subloop##############
-
-run 4320 pre no post no every 1 &
-"fix_modify k1 demflag 1" &
-"fix_modify d1 demflag 1" &
-"timestep 1e-3" &
-"run 10000 pre no post no" &
-"timestep 600" &
-"fix_modify k1 demflag 0" &
-"fix_modify d1 demflag 0" &
-
diff --git a/examples/competition-energy/pure-rs/atom.in b/examples/competition-energy/pure-rs/atom.in
deleted file mode 100644
index af5cc9f6d..000000000
--- a/examples/competition-energy/pure-rs/atom.in
+++ /dev/null
@@ -1,200 +0,0 @@
-  Granular Flow Simulation 
-
-       100 atoms 
-       2 atom types 
-       3 nutrients
-
-   0.0   2.0e-04  xlo xhi 
-   0.0   1.0e-05  ylo yhi 
-   0.0   2.0e-04  zlo zhi 
-
- Atoms
-
-     1 1 0.78e-6 290 0.5e-5 3e-6 1e-6 0.78e-6  
-     2 1 0.78e-6 290 1.5e-5 3e-6 1e-6 0.78e-6  
-     3 1 0.78e-6 290 2.5e-5 3e-6 1e-6 0.78e-6  
-     4 1 0.78e-6 290 3.5e-5 3e-6 1e-6 0.78e-6  
-     5 1 0.78e-6 290 4.5e-5 3e-6 1e-6 0.78e-6  
-     6 1 0.78e-6 290 5.5e-5 3e-6 1e-6 0.78e-6  
-     7 1 0.78e-6 290 6.5e-5 3e-6 1e-6 0.78e-6  
-     8 1 0.78e-6 290 7.5e-5 3e-6 1e-6 0.78e-6  
-     9 1 0.78e-6 290 8.5e-5 3e-6 1e-6 0.78e-6  
-     10 2 0.78e-6 290 9.5e-5 3e-6 1e-6 0.78e-6  
-     11 1 0.78e-6 290 10.5e-5 3e-6 1e-6 0.78e-6  
-     12 1 0.78e-6 290 11.5e-5 3e-6 1e-6 0.78e-6  
-     13 1 0.78e-6 290 12.5e-5 3e-6 1e-6 0.78e-6  
-     14 1 0.78e-6 290 13.5e-5 3e-6 1e-6 0.78e-6  
-     15 1 0.78e-6 290 14.5e-5 3e-6 1e-6 0.78e-6  
-     16 1 0.78e-6 290 15.5e-5 3e-6 1e-6 0.78e-6  
-     17 1 0.78e-6 290 16.5e-5 3e-6 1e-6 0.78e-6  
-     18 1 0.78e-6 290 17.5e-5 3e-6 1e-6 0.78e-6  
-     19 1 0.78e-6 290 18.5e-5 3e-6 1e-6 0.78e-6  
-     20 1 0.78e-6 290 19.5e-5 3e-6 1e-6 0.78e-6  
-     21 1 0.78e-6 290 0.5e-5 7e-6 1e-6 0.78e-6  
-     22 1 0.78e-6 290 1.5e-5 7e-6 1e-6 0.78e-6  
-     23 1 0.78e-6 290 2.5e-5 7e-6 1e-6 0.78e-6  
-     24 1 0.78e-6 290 3.5e-5 7e-6 1e-6 0.78e-6  
-     25 1 0.78e-6 290 4.5e-5 7e-6 1e-6 0.78e-6  
-     26 1 0.78e-6 290 5.5e-5 7e-6 1e-6 0.78e-6  
-     27 1 0.78e-6 290 6.5e-5 7e-6 1e-6 0.78e-6  
-     28 1 0.78e-6 290 7.5e-5 7e-6 1e-6 0.78e-6  
-     29 1 0.78e-6 290 8.5e-5 7e-6 1e-6 0.78e-6  
-     30 2 0.78e-6 290 9.5e-5 7e-6 1e-6 0.78e-6  
-     31 1 0.78e-6 290 10.5e-5 7e-6 1e-6 0.78e-6  
-     32 1 0.78e-6 290 11.5e-5 7e-6 1e-6 0.78e-6  
-     33 1 0.78e-6 290 12.5e-5 7e-6 1e-6 0.78e-6  
-     34 1 0.78e-6 290 13.5e-5 7e-6 1e-6 0.78e-6  
-     35 1 0.78e-6 290 14.5e-5 7e-6 1e-6 0.78e-6  
-     36 1 0.78e-6 290 15.5e-5 7e-6 1e-6 0.78e-6  
-     37 1 0.78e-6 290 16.5e-5 7e-6 1e-6 0.78e-6  
-     38 1 0.78e-6 290 17.5e-5 7e-6 1e-6 0.78e-6  
-     39 1 0.78e-6 290 18.5e-5 7e-6 1e-6 0.78e-6  
-     40 1 0.78e-6 290 19.5e-5 7e-6 1e-6 0.78e-6  
-     41 1 0.78e-6 290 0.5e-5 1e-6 1e-6 0.78e-6  
-     42 1 0.78e-6 290 1.5e-5 1e-6 1e-6 0.78e-6  
-     43 1 0.78e-6 290 2.5e-5 1e-6 1e-6 0.78e-6  
-     44 1 0.78e-6 290 3.5e-5 1e-6 1e-6 0.78e-6  
-     45 1 0.78e-6 290 4.5e-5 1e-6 1e-6 0.78e-6  
-     46 1 0.78e-6 290 5.5e-5 1e-6 1e-6 0.78e-6  
-     47 1 0.78e-6 290 6.5e-5 1e-6 1e-6 0.78e-6  
-     48 1 0.78e-6 290 7.5e-5 1e-6 1e-6 0.78e-6  
-     49 1 0.78e-6 290 8.5e-5 1e-6 1e-6 0.78e-6  
-     50 2 0.78e-6 290 9.5e-5 1e-6 1e-6 0.78e-6  
-     51 1 0.78e-6 290 10.5e-5 1e-6 1e-6 0.78e-6  
-     52 1 0.78e-6 290 11.5e-5 1e-6 1e-6 0.78e-6  
-     53 1 0.78e-6 290 12.5e-5 1e-6 1e-6 0.78e-6  
-     54 1 0.78e-6 290 13.5e-5 1e-6 1e-6 0.78e-6  
-     55 1 0.78e-6 290 14.5e-5 1e-6 1e-6 0.78e-6  
-     56 1 0.78e-6 290 15.5e-5 1e-6 1e-6 0.78e-6  
-     57 1 0.78e-6 290 16.5e-5 1e-6 1e-6 0.78e-6  
-     58 1 0.78e-6 290 17.5e-5 1e-6 1e-6 0.78e-6  
-     59 1 0.78e-6 290 18.5e-5 1e-6 1e-6 0.78e-6  
-     60 1 0.78e-6 290 19.5e-5 1e-6 1e-6 0.78e-6  
-     61 1 0.78e-6 290 0.5e-5 5e-6 1e-6 0.78e-6  
-     62 1 0.78e-6 290 1.5e-5 5e-6 1e-6 0.78e-6  
-     63 1 0.78e-6 290 2.5e-5 5e-6 1e-6 0.78e-6  
-     64 1 0.78e-6 290 3.5e-5 5e-6 1e-6 0.78e-6  
-     65 1 0.78e-6 290 4.5e-5 5e-6 1e-6 0.78e-6  
-     66 1 0.78e-6 290 5.5e-5 5e-6 1e-6 0.78e-6  
-     67 1 0.78e-6 290 6.5e-5 5e-6 1e-6 0.78e-6  
-     68 1 0.78e-6 290 7.5e-5 5e-6 1e-6 0.78e-6  
-     69 1 0.78e-6 290 8.5e-5 5e-6 1e-6 0.78e-6  
-     70 2 0.78e-6 290 9.5e-5 5e-6 1e-6 0.78e-6  
-     71 1 0.78e-6 290 10.5e-5 5e-6 1e-6 0.78e-6  
-     72 1 0.78e-6 290 11.5e-5 5e-6 1e-6 0.78e-6  
-     73 1 0.78e-6 290 12.5e-5 5e-6 1e-6 0.78e-6  
-     74 1 0.78e-6 290 13.5e-5 5e-6 1e-6 0.78e-6  
-     75 1 0.78e-6 290 14.5e-5 5e-6 1e-6 0.78e-6  
-     76 1 0.78e-6 290 15.5e-5 5e-6 1e-6 0.78e-6  
-     77 1 0.78e-6 290 16.5e-5 5e-6 1e-6 0.78e-6  
-     78 1 0.78e-6 290 17.5e-5 5e-6 1e-6 0.78e-6  
-     79 1 0.78e-6 290 18.5e-5 5e-6 1e-6 0.78e-6  
-     80 1 0.78e-6 290 19.5e-5 5e-6 1e-6 0.78e-6  
-     81 1 0.78e-6 290 0.5e-5 9e-6 1e-6 0.78e-6  
-     82 1 0.78e-6 290 1.5e-5 9e-6 1e-6 0.78e-6  
-     83 1 0.78e-6 290 2.5e-5 9e-6 1e-6 0.78e-6  
-     84 1 0.78e-6 290 3.5e-5 9e-6 1e-6 0.78e-6  
-     85 1 0.78e-6 290 4.5e-5 9e-6 1e-6 0.78e-6  
-     86 1 0.78e-6 290 5.5e-5 9e-6 1e-6 0.78e-6  
-     87 1 0.78e-6 290 6.5e-5 9e-6 1e-6 0.78e-6  
-     88 1 0.78e-6 290 7.5e-5 9e-6 1e-6 0.78e-6  
-     89 1 0.78e-6 290 8.5e-5 9e-6 1e-6 0.78e-6  
-     90 2 0.78e-6 290 9.5e-5 9e-6 1e-6 0.78e-6  
-     91 1 0.78e-6 290 10.5e-5 9e-6 1e-6 0.78e-6  
-     92 1 0.78e-6 290 11.5e-5 9e-6 1e-6 0.78e-6  
-     93 1 0.78e-6 290 12.5e-5 9e-6 1e-6 0.78e-6  
-     94 1 0.78e-6 290 13.5e-5 9e-6 1e-6 0.78e-6  
-     95 1 0.78e-6 290 14.5e-5 9e-6 1e-6 0.78e-6  
-     96 1 0.78e-6 290 15.5e-5 9e-6 1e-6 0.78e-6  
-     97 1 0.78e-6 290 16.5e-5 9e-6 1e-6 0.78e-6  
-     98 1 0.78e-6 290 17.5e-5 9e-6 1e-6 0.78e-6  
-     99 1 0.78e-6 290 18.5e-5 9e-6 1e-6 0.78e-6  
-     100 1 0.78e-6 290 19.5e-5 9e-6 1e-6 0.78e-6  
-
-
-
- Nutrients
-
-     1 o2 l pp pp nd 3.13e-5 3.13e-5
-     2 h2o l pp pp nd 1 1
-     3 h l pp pp nd 0 0
-
- Type Name
-
-     1 hetr
-     2 hety
-
- Diffusion Coeffs
-     
-     o2 2e-9
-     h2o 0
-     h 0 
-
- Ks
-     
-     hety 9.38e-6 0 0
-     hetr 1.88e-5 0 0
-
- Consumption Rate
-
-     hety 0.000381111
-     hetr 0.001524167
-
- Yield
-    
-     hety 0.0598373984
-     hetr 0.0299186992
-
- Maintenance
- 
-     hety 0
-     hetr 0
-
- Electron Donor
-    
-     hety o2
-     hetr o2
-
- Decay
-
-     hety 0
-     hetr 0
-
- Catabolism Coeffs
-         
-     hety -1 0 0
-     hetr -1 0 0
-
- Anabolism Coeffs
-          
-     hety 0 0 0
-     hetr 0 0 0
- 
- Decay Coeffs
-           
-     hety 0 0 0
-     hetr 0 0 0
- 
- Nutrient Energy
-
-    o2 inf 16.4 inf inf inf 2
-    h2o inf -237.18 -157.3 inf inf 2
-    h inf 0 inf inf inf 2
-
- Type Energy
-
-     hety inf -68 inf inf inf 2 
-     hetr inf -67 inf inf inf 2
-
- Nutrient Charge
-  
-    o2 na 0 na na na
-    h2o na 0 -1 na na
-    h na 1 na na na
-
- Dissipation
-
-     hety 0
-     hetr 0
-
-
diff --git a/examples/competition-energy/pure-rs/visual/0_images/.data b/examples/competition-energy/pure-rs/visual/0_images/.data
deleted file mode 100644
index e69de29bb..000000000
diff --git a/examples/competition-energy/pure-rs/visual/PvrRotate200.m b/examples/competition-energy/pure-rs/visual/PvrRotate200.m
deleted file mode 100644
index b57ecf68c..000000000
--- a/examples/competition-energy/pure-rs/visual/PvrRotate200.m
+++ /dev/null
@@ -1,56 +0,0 @@
-function [ POV_RAY ] = PvrRotate200(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-fprintf(fid,['location <0, 100e-2, 10e-2>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-fprintf(fid,'look_at 0\n')
-fprintf(fid,'rotate <0, 0, 20>\n', rotate);
-fprintf(fid,'}\n');
-fprintf(fid,'// Create simualtion domain\n');
-fprintf(fid,'#declare b_x=0.1;\n');
-fprintf(fid,'#declare b_y=0.005;\n');
-fprintf(fid,'#declare b_z=0.1;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}\n');
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/examples/competition-energy/pure-rs/visual/run.sh b/examples/competition-energy/pure-rs/visual/run.sh
deleted file mode 100755
index 99cf7c224..000000000
--- a/examples/competition-energy/pure-rs/visual/run.sh
+++ /dev/null
@@ -1,4 +0,0 @@
-#!/bin/bash
-# Matlab povray script
-
-matlab -nodisplay -nosplash -nodesktop -r "run('visual200.m');exit;"
diff --git a/examples/competition-energy/pure-rs/visual/visual200.m b/examples/competition-energy/pure-rs/visual/visual200.m
deleted file mode 100644
index 9e6ff8733..000000000
--- a/examples/competition-energy/pure-rs/visual/visual200.m
+++ /dev/null
@@ -1,84 +0,0 @@
-clear;
-  dump = fopen('snapshot.bubblemd','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-0.1;
-Y = C{5}*1e+3-0.005;
-Z = C{6}*1e+3-0.1;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.8;
-        GREEN = 0.2;
-        BLUE = 0.2;
-        end 
-        
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrRotate200(image, i)
-
-generate=['povray +H3000 +W3000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/examples/competition-energy/side/Inputscript.lammps b/examples/competition-energy/side/Inputscript.lammps
deleted file mode 100644
index f1ed4be4f..000000000
--- a/examples/competition-energy/side/Inputscript.lammps
+++ /dev/null
@@ -1,81 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * *
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 600
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-variable kanc equal 50
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0   2e-4
-fix zwa all walladh v_kanc zplane  0.0   2e-4
-
-##############Define IBm Variables##############
-
-#Defining EPS density and ratio variables
-variable EPSdens equal 30
-variable EPSratio equal 1.25
-
-#variables used in fix division
-variable divDia equal 0.78e-6
-
-#Defining diffusion variables
-variable diffT equal 1e-4
-variable tol equal 5e-8
-variable etaHET equal 0.0
-variable layer equal 4e-5
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 1 100 5 100 v_diffT v_layer demflag 0 niter 10000
-fix ki2 all kinetics/thermo
-fix ki3 all kinetics/ph fix 
-fix ki1 all kinetics/growth/energy v_EPSdens	
-fix g1 all kinetics/diffusion v_tol 
-fix d1 all divide 1 v_EPSdens v_divDia 31231 demflag 0
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myMass all biomass
-
-##############Simulation outputs##############
-
-#dump 		du2 all grid 1000000 grid_%_*.vti con
-#dump		du1 all vtk 1000000 snapshot.bubblemd.vtu id type diameter x y z
-dump            du0 all bio 1000000 ntypes biomass
-dump		du3 all custom 5000000 snapshot.bubblemd id type diameter x y z
-thermo_style    custom step cpu atoms c_myNtypes[*] 
-thermo		1000
-thermo_modify	lost ignore
-
-##############Define Bio-loop and DEM-subloop##############
-
-run 4320 pre no post no every 1 &
-"fix_modify k1 demflag 1" &
-"fix_modify d1 demflag 1" &
-"timestep 1e-3" &
-"run 10000 pre no post no" &
-"timestep 600" &
-"fix_modify k1 demflag 0" &
-"fix_modify d1 demflag 0" &
-
diff --git a/examples/competition-energy/side/atom.in b/examples/competition-energy/side/atom.in
deleted file mode 100644
index b122cbf5d..000000000
--- a/examples/competition-energy/side/atom.in
+++ /dev/null
@@ -1,198 +0,0 @@
-  Granular Flow Simulation 
-
-       100 atoms 
-       2 atom types 
-       3 nutrients
-
-   0.0   2.0e-04  xlo xhi 
-   0.0   1.0e-05  ylo yhi 
-   0.0   2.0e-04  zlo zhi 
-
- Atoms
-
-     1 1 0.78e-6 290 0.5e-5 3e-6 1e-6 0.78e-6  
-     2 1 0.78e-6 290 1.5e-5 3e-6 1e-6 0.78e-6  
-     3 1 0.78e-6 290 2.5e-5 3e-6 1e-6 0.78e-6  
-     4 1 0.78e-6 290 3.5e-5 3e-6 1e-6 0.78e-6  
-     5 1 0.78e-6 290 4.5e-5 3e-6 1e-6 0.78e-6  
-     6 1 0.78e-6 290 5.5e-5 3e-6 1e-6 0.78e-6  
-     7 1 0.78e-6 290 6.5e-5 3e-6 1e-6 0.78e-6  
-     8 1 0.78e-6 290 7.5e-5 3e-6 1e-6 0.78e-6  
-     9 1 0.78e-6 290 8.5e-5 3e-6 1e-6 0.78e-6  
-     10 1 0.78e-6 290 9.5e-5 3e-6 1e-6 0.78e-6  
-     11 2 0.78e-6 290 10.5e-5 3e-6 1e-6 0.78e-6  
-     12 2 0.78e-6 290 11.5e-5 3e-6 1e-6 0.78e-6  
-     13 2 0.78e-6 290 12.5e-5 3e-6 1e-6 0.78e-6  
-     14 2 0.78e-6 290 13.5e-5 3e-6 1e-6 0.78e-6  
-     15 2 0.78e-6 290 14.5e-5 3e-6 1e-6 0.78e-6  
-     16 2 0.78e-6 290 15.5e-5 3e-6 1e-6 0.78e-6  
-     17 2 0.78e-6 290 16.5e-5 3e-6 1e-6 0.78e-6  
-     18 2 0.78e-6 290 17.5e-5 3e-6 1e-6 0.78e-6  
-     19 2 0.78e-6 290 18.5e-5 3e-6 1e-6 0.78e-6  
-     20 2 0.78e-6 290 19.5e-5 3e-6 1e-6 0.78e-6  
-     21 1 0.78e-6 290 0.5e-5 7e-6 1e-6 0.78e-6  
-     22 1 0.78e-6 290 1.5e-5 7e-6 1e-6 0.78e-6  
-     23 1 0.78e-6 290 2.5e-5 7e-6 1e-6 0.78e-6  
-     24 1 0.78e-6 290 3.5e-5 7e-6 1e-6 0.78e-6  
-     25 1 0.78e-6 290 4.5e-5 7e-6 1e-6 0.78e-6  
-     26 1 0.78e-6 290 5.5e-5 7e-6 1e-6 0.78e-6  
-     27 1 0.78e-6 290 6.5e-5 7e-6 1e-6 0.78e-6  
-     28 1 0.78e-6 290 7.5e-5 7e-6 1e-6 0.78e-6  
-     29 1 0.78e-6 290 8.5e-5 7e-6 1e-6 0.78e-6  
-     30 1 0.78e-6 290 9.5e-5 7e-6 1e-6 0.78e-6  
-     31 2 0.78e-6 290 10.5e-5 7e-6 1e-6 0.78e-6  
-     32 2 0.78e-6 290 11.5e-5 7e-6 1e-6 0.78e-6  
-     33 2 0.78e-6 290 12.5e-5 7e-6 1e-6 0.78e-6  
-     34 2 0.78e-6 290 13.5e-5 7e-6 1e-6 0.78e-6  
-     35 2 0.78e-6 290 14.5e-5 7e-6 1e-6 0.78e-6  
-     36 2 0.78e-6 290 15.5e-5 7e-6 1e-6 0.78e-6  
-     37 2 0.78e-6 290 16.5e-5 7e-6 1e-6 0.78e-6  
-     38 2 0.78e-6 290 17.5e-5 7e-6 1e-6 0.78e-6  
-     39 2 0.78e-6 290 18.5e-5 7e-6 1e-6 0.78e-6  
-     40 2 0.78e-6 290 19.5e-5 7e-6 1e-6 0.78e-6  
-     41 1 0.78e-6 290 0.5e-5 1e-6 1e-6 0.78e-6  
-     42 1 0.78e-6 290 1.5e-5 1e-6 1e-6 0.78e-6  
-     43 1 0.78e-6 290 2.5e-5 1e-6 1e-6 0.78e-6  
-     44 1 0.78e-6 290 3.5e-5 1e-6 1e-6 0.78e-6  
-     45 1 0.78e-6 290 4.5e-5 1e-6 1e-6 0.78e-6  
-     46 1 0.78e-6 290 5.5e-5 1e-6 1e-6 0.78e-6  
-     47 1 0.78e-6 290 6.5e-5 1e-6 1e-6 0.78e-6  
-     48 1 0.78e-6 290 7.5e-5 1e-6 1e-6 0.78e-6  
-     49 1 0.78e-6 290 8.5e-5 1e-6 1e-6 0.78e-6  
-     50 1 0.78e-6 290 9.5e-5 1e-6 1e-6 0.78e-6  
-     51 2 0.78e-6 290 10.5e-5 1e-6 1e-6 0.78e-6  
-     52 2 0.78e-6 290 11.5e-5 1e-6 1e-6 0.78e-6  
-     53 2 0.78e-6 290 12.5e-5 1e-6 1e-6 0.78e-6  
-     54 2 0.78e-6 290 13.5e-5 1e-6 1e-6 0.78e-6  
-     55 2 0.78e-6 290 14.5e-5 1e-6 1e-6 0.78e-6  
-     56 2 0.78e-6 290 15.5e-5 1e-6 1e-6 0.78e-6  
-     57 2 0.78e-6 290 16.5e-5 1e-6 1e-6 0.78e-6  
-     58 2 0.78e-6 290 17.5e-5 1e-6 1e-6 0.78e-6  
-     59 2 0.78e-6 290 18.5e-5 1e-6 1e-6 0.78e-6  
-     60 2 0.78e-6 290 19.5e-5 1e-6 1e-6 0.78e-6  
-     61 1 0.78e-6 290 0.5e-5 5e-6 1e-6 0.78e-6  
-     62 1 0.78e-6 290 1.5e-5 5e-6 1e-6 0.78e-6  
-     63 1 0.78e-6 290 2.5e-5 5e-6 1e-6 0.78e-6  
-     64 1 0.78e-6 290 3.5e-5 5e-6 1e-6 0.78e-6  
-     65 1 0.78e-6 290 4.5e-5 5e-6 1e-6 0.78e-6  
-     66 1 0.78e-6 290 5.5e-5 5e-6 1e-6 0.78e-6  
-     67 1 0.78e-6 290 6.5e-5 5e-6 1e-6 0.78e-6  
-     68 1 0.78e-6 290 7.5e-5 5e-6 1e-6 0.78e-6  
-     69 1 0.78e-6 290 8.5e-5 5e-6 1e-6 0.78e-6  
-     70 1 0.78e-6 290 9.5e-5 5e-6 1e-6 0.78e-6  
-     71 2 0.78e-6 290 10.5e-5 5e-6 1e-6 0.78e-6  
-     72 2 0.78e-6 290 11.5e-5 5e-6 1e-6 0.78e-6  
-     73 2 0.78e-6 290 12.5e-5 5e-6 1e-6 0.78e-6  
-     74 2 0.78e-6 290 13.5e-5 5e-6 1e-6 0.78e-6  
-     75 2 0.78e-6 290 14.5e-5 5e-6 1e-6 0.78e-6  
-     76 2 0.78e-6 290 15.5e-5 5e-6 1e-6 0.78e-6  
-     77 2 0.78e-6 290 16.5e-5 5e-6 1e-6 0.78e-6  
-     78 2 0.78e-6 290 17.5e-5 5e-6 1e-6 0.78e-6  
-     79 2 0.78e-6 290 18.5e-5 5e-6 1e-6 0.78e-6  
-     80 2 0.78e-6 290 19.5e-5 5e-6 1e-6 0.78e-6  
-     81 1 0.78e-6 290 0.5e-5 9e-6 1e-6 0.78e-6  
-     82 1 0.78e-6 290 1.5e-5 9e-6 1e-6 0.78e-6  
-     83 1 0.78e-6 290 2.5e-5 9e-6 1e-6 0.78e-6  
-     84 1 0.78e-6 290 3.5e-5 9e-6 1e-6 0.78e-6  
-     85 1 0.78e-6 290 4.5e-5 9e-6 1e-6 0.78e-6  
-     86 1 0.78e-6 290 5.5e-5 9e-6 1e-6 0.78e-6  
-     87 1 0.78e-6 290 6.5e-5 9e-6 1e-6 0.78e-6  
-     88 1 0.78e-6 290 7.5e-5 9e-6 1e-6 0.78e-6  
-     89 1 0.78e-6 290 8.5e-5 9e-6 1e-6 0.78e-6  
-     90 1 0.78e-6 290 9.5e-5 9e-6 1e-6 0.78e-6  
-     91 2 0.78e-6 290 10.5e-5 9e-6 1e-6 0.78e-6  
-     92 2 0.78e-6 290 11.5e-5 9e-6 1e-6 0.78e-6  
-     93 2 0.78e-6 290 12.5e-5 9e-6 1e-6 0.78e-6  
-     94 2 0.78e-6 290 13.5e-5 9e-6 1e-6 0.78e-6  
-     95 2 0.78e-6 290 14.5e-5 9e-6 1e-6 0.78e-6  
-     96 2 0.78e-6 290 15.5e-5 9e-6 1e-6 0.78e-6  
-     97 2 0.78e-6 290 16.5e-5 9e-6 1e-6 0.78e-6  
-     98 2 0.78e-6 290 17.5e-5 9e-6 1e-6 0.78e-6  
-     99 2 0.78e-6 290 18.5e-5 9e-6 1e-6 0.78e-6  
-     100 2 0.78e-6 290 19.5e-5 9e-6 1e-6 0.78e-6  
-
- Nutrients
-
-     1 o2 l pp pp nd 3.13e-5 3.13e-5
-     2 h2o l pp pp nd 1 1
-     3 h l pp pp nd 0 0
-
- Type Name
-
-     1 hetr
-     2 hety
-
- Diffusion Coeffs
-     
-     o2 2e-9
-     h2o 0
-     h 0 
-
- Ks
-     
-     hety 9.38e-6 0 0
-     hetr 1.88e-5 0 0
-
- Consumption Rate
-
-     hety 0.000381111
-     hetr 0.001524167
-
- Yield
-    
-     hety 0.0598373984
-     hetr 0.0299186992
-
- Maintenance
- 
-     hety 0
-     hetr 0
-
- Electron Donor
-    
-     hety o2
-     hetr o2
-
- Decay
-
-     hety 0
-     hetr 0
-
- Catabolism Coeffs
-         
-     hety -1 0 0
-     hetr -1 0 0
-
- Anabolism Coeffs
-          
-     hety 0 0 0
-     hetr 0 0 0
- 
- Decay Coeffs
-           
-     hety 0 0 0
-     hetr 0 0 0
- 
- Nutrient Energy
-
-    o2 inf 16.4 inf inf inf 2
-    h2o inf -237.18 -157.3 inf inf 2
-    h inf 0 inf inf inf 2
-
- Type Energy
-
-     hety inf -68 inf inf inf 2 
-     hetr inf -67 inf inf inf 2
-
- Nutrient Charge
-  
-    o2 na 0 na na na
-    h2o na 0 -1 na na
-    h na 1 na na na
-
- Dissipation
-
-     hety 0
-     hetr 0
-
-
diff --git a/examples/competition-energy/side/visual/0_images/.data b/examples/competition-energy/side/visual/0_images/.data
deleted file mode 100644
index e69de29bb..000000000
diff --git a/examples/competition-energy/side/visual/PvrRotate200.m b/examples/competition-energy/side/visual/PvrRotate200.m
deleted file mode 100644
index b57ecf68c..000000000
--- a/examples/competition-energy/side/visual/PvrRotate200.m
+++ /dev/null
@@ -1,56 +0,0 @@
-function [ POV_RAY ] = PvrRotate200(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-fprintf(fid,['location <0, 100e-2, 10e-2>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-fprintf(fid,'look_at 0\n')
-fprintf(fid,'rotate <0, 0, 20>\n', rotate);
-fprintf(fid,'}\n');
-fprintf(fid,'// Create simualtion domain\n');
-fprintf(fid,'#declare b_x=0.1;\n');
-fprintf(fid,'#declare b_y=0.005;\n');
-fprintf(fid,'#declare b_z=0.1;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}\n');
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/examples/competition-energy/side/visual/run.sh b/examples/competition-energy/side/visual/run.sh
deleted file mode 100755
index 99cf7c224..000000000
--- a/examples/competition-energy/side/visual/run.sh
+++ /dev/null
@@ -1,4 +0,0 @@
-#!/bin/bash
-# Matlab povray script
-
-matlab -nodisplay -nosplash -nodesktop -r "run('visual200.m');exit;"
diff --git a/examples/competition-energy/side/visual/visual200.m b/examples/competition-energy/side/visual/visual200.m
deleted file mode 100644
index 9e6ff8733..000000000
--- a/examples/competition-energy/side/visual/visual200.m
+++ /dev/null
@@ -1,84 +0,0 @@
-clear;
-  dump = fopen('snapshot.bubblemd','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-0.1;
-Y = C{5}*1e+3-0.005;
-Z = C{6}*1e+3-0.1;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.8;
-        GREEN = 0.2;
-        BLUE = 0.2;
-        end 
-        
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrRotate200(image, i)
-
-generate=['povray +H3000 +W3000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/examples/competition-het/high-o2/Inputscript.lammps b/examples/competition-het/high-o2/Inputscript.lammps
deleted file mode 100644
index dedca6c9e..000000000
--- a/examples/competition-het/high-o2/Inputscript.lammps
+++ /dev/null
@@ -1,66 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 10
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0   5.0e-05
-
-variable kanc equal 50
-
-fix zwa all walladh v_kanc zplane  0.0   5.0e-05
-
-##############Define IBm Variables##############
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-variable EPSdens equal 30
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable layer equal -1
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 400 30 12 15 v_diffT v_layer niter 5000
-fix kgm all kinetics/growth/monod
-fix g1 all kinetics/diffusion v_tol
-fix d1 all divide 400 v_EPSdens v_divDia 31231
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-
-##############Simulation outputs##############
-
-dump		id all custom 4000 output.lammps id type diameter x y z
-#dump            d0 all bio 4000 ntypes avg_con
-dump		du1 all vtk 4000 atom_*.vtu id type diameter x y z
-dump		du2 all grid 4000 grid_%_*.vti con
-thermo_style    custom step cpu atoms c_myNtypes[*] 
-thermo		400
-thermo_modify	lost ignore
-
-run 150000
-
diff --git a/examples/competition-het/high-o2/atom.in b/examples/competition-het/high-o2/atom.in
deleted file mode 100644
index 8483a141e..000000000
--- a/examples/competition-het/high-o2/atom.in
+++ /dev/null
@@ -1,135 +0,0 @@
-  Granular Flow Simulation 
-
-       80 atoms 
-       2 atom types 
-       2 nutrients
-
-   0.0   1.0e-04  xlo xhi 
-   0.0   4.0e-05  ylo yhi 
-   0.0   5.0e-05  zlo zhi 
-
- Atoms
-
-     1 1 1.0e-6 150 0.5e-5 0.5e-5 1e-6 1.0e-6  
-     2 1 1.0e-6 150 1.5e-5 0.5e-5 1e-6 1.0e-6  
-     3 1 1.0e-6 150 2.5e-5 0.5e-5 1e-6 1.0e-6  
-     4 1 1.0e-6 150 3.5e-5 0.5e-5 1e-6 1.0e-6  
-     5 1 1.0e-6 150 4.5e-5 0.5e-5 1e-6 1.0e-6  
-     6 1 1.0e-6 150 5.5e-5 0.5e-5 1e-6 1.0e-6  
-     7 1 1.0e-6 150 6.5e-5 0.5e-5 1e-6 1.0e-6  
-     8 1 1.0e-6 150 7.5e-5 0.5e-5 1e-6 1.0e-6  
-     9 1 1.0e-6 150 8.5e-5 0.5e-5 1e-6 1.0e-6  
-     10 1 1.0e-6 150 9.5e-5 0.5e-5 1e-6 1.0e-6  
-     11 1 1.0e-6 150 0.5e-5 1.5e-5 1e-6 1.0e-6  
-     12 1 1.0e-6 150 1.5e-5 1.5e-5 1e-6 1.0e-6  
-     13 1 1.0e-6 150 2.5e-5 1.5e-5 1e-6 1.0e-6  
-     14 1 1.0e-6 150 3.5e-5 1.5e-5 1e-6 1.0e-6  
-     15 1 1.0e-6 150 4.5e-5 1.5e-5 1e-6 1.0e-6  
-     16 1 1.0e-6 150 5.5e-5 1.5e-5 1e-6 1.0e-6  
-     17 1 1.0e-6 150 6.5e-5 1.5e-5 1e-6 1.0e-6  
-     18 1 1.0e-6 150 7.5e-5 1.5e-5 1e-6 1.0e-6  
-     19 1 1.0e-6 150 8.5e-5 1.5e-5 1e-6 1.0e-6  
-     20 1 1.0e-6 150 9.5e-5 1.5e-5 1e-6 1.0e-6  
-     21 1 1.0e-6 150 0.5e-5 2.5e-5 1e-6 1.0e-6  
-     22 1 1.0e-6 150 1.5e-5 2.5e-5 1e-6 1.0e-6  
-     23 1 1.0e-6 150 2.5e-5 2.5e-5 1e-6 1.0e-6  
-     24 1 1.0e-6 150 3.5e-5 2.5e-5 1e-6 1.0e-6  
-     25 1 1.0e-6 150 4.5e-5 2.5e-5 1e-6 1.0e-6  
-     26 1 1.0e-6 150 5.5e-5 2.5e-5 1e-6 1.0e-6  
-     27 1 1.0e-6 150 6.5e-5 2.5e-5 1e-6 1.0e-6  
-     28 1 1.0e-6 150 7.5e-5 2.5e-5 1e-6 1.0e-6  
-     29 1 1.0e-6 150 8.5e-5 2.5e-5 1e-6 1.0e-6  
-     30 1 1.0e-6 150 9.5e-5 2.5e-5 1e-6 1.0e-6  
-     31 1 1.0e-6 150 0.5e-5 3.5e-5 1e-6 1.0e-6  
-     32 1 1.0e-6 150 1.5e-5 3.5e-5 1e-6 1.0e-6  
-     33 1 1.0e-6 150 2.5e-5 3.5e-5 1e-6 1.0e-6  
-     34 1 1.0e-6 150 3.5e-5 3.5e-5 1e-6 1.0e-6  
-     35 1 1.0e-6 150 4.5e-5 3.5e-5 1e-6 1.0e-6  
-     36 1 1.0e-6 150 5.5e-5 3.5e-5 1e-6 1.0e-6  
-     37 1 1.0e-6 150 6.5e-5 3.5e-5 1e-6 1.0e-6  
-     38 1 1.0e-6 150 7.5e-5 3.5e-5 1e-6 1.0e-6  
-     39 1 1.0e-6 150 8.5e-5 3.5e-5 1e-6 1.0e-6  
-     40 1 1.0e-6 150 9.5e-5 3.5e-5 1e-6 1.0e-6  
-     41 2 1.0e-6 150 0.5e-5 0.6e-5 1e-6 1.0e-6  
-     42 2 1.0e-6 150 1.5e-5 0.6e-5 1e-6 1.0e-6  
-     43 2 1.0e-6 150 2.5e-5 0.6e-5 1e-6 1.0e-6  
-     44 2 1.0e-6 150 3.5e-5 0.6e-5 1e-6 1.0e-6  
-     45 2 1.0e-6 150 4.5e-5 0.6e-5 1e-6 1.0e-6  
-     46 2 1.0e-6 150 5.5e-5 0.6e-5 1e-6 1.0e-6  
-     47 2 1.0e-6 150 6.5e-5 0.6e-5 1e-6 1.0e-6  
-     48 2 1.0e-6 150 7.5e-5 0.6e-5 1e-6 1.0e-6  
-     49 2 1.0e-6 150 8.5e-5 0.6e-5 1e-6 1.0e-6  
-     50 2 1.0e-6 150 9.5e-5 0.6e-5 1e-6 1.0e-6  
-     51 2 1.0e-6 150 0.5e-5 1.6e-5 1e-6 1.0e-6  
-     52 2 1.0e-6 150 1.5e-5 1.6e-5 1e-6 1.0e-6  
-     53 2 1.0e-6 150 2.5e-5 1.6e-5 1e-6 1.0e-6  
-     54 2 1.0e-6 150 3.5e-5 1.6e-5 1e-6 1.0e-6  
-     55 2 1.0e-6 150 4.5e-5 1.6e-5 1e-6 1.0e-6  
-     56 2 1.0e-6 150 5.5e-5 1.6e-5 1e-6 1.0e-6  
-     57 2 1.0e-6 150 6.5e-5 1.6e-5 1e-6 1.0e-6  
-     58 2 1.0e-6 150 7.5e-5 1.6e-5 1e-6 1.0e-6  
-     59 2 1.0e-6 150 8.5e-5 1.6e-5 1e-6 1.0e-6  
-     60 2 1.0e-6 150 9.5e-5 1.6e-5 1e-6 1.0e-6  
-     61 2 1.0e-6 150 0.5e-5 2.6e-5 1e-6 1.0e-6  
-     62 2 1.0e-6 150 1.5e-5 2.6e-5 1e-6 1.0e-6  
-     63 2 1.0e-6 150 2.5e-5 2.6e-5 1e-6 1.0e-6  
-     64 2 1.0e-6 150 3.5e-5 2.6e-5 1e-6 1.0e-6  
-     65 2 1.0e-6 150 4.5e-5 2.6e-5 1e-6 1.0e-6  
-     66 2 1.0e-6 150 5.5e-5 2.6e-5 1e-6 1.0e-6  
-     67 2 1.0e-6 150 6.5e-5 2.6e-5 1e-6 1.0e-6  
-     68 2 1.0e-6 150 7.5e-5 2.6e-5 1e-6 1.0e-6  
-     69 2 1.0e-6 150 8.5e-5 2.6e-5 1e-6 1.0e-6  
-     70 2 1.0e-6 150 9.5e-5 2.6e-5 1e-6 1.0e-6  
-     71 2 1.0e-6 150 0.5e-5 3.6e-5 1e-6 1.0e-6  
-     72 2 1.0e-6 150 1.5e-5 3.6e-5 1e-6 1.0e-6  
-     73 2 1.0e-6 150 2.5e-5 3.6e-5 1e-6 1.0e-6  
-     74 2 1.0e-6 150 3.5e-5 3.6e-5 1e-6 1.0e-6  
-     75 2 1.0e-6 150 4.5e-5 3.6e-5 1e-6 1.0e-6  
-     76 2 1.0e-6 150 5.5e-5 3.6e-5 1e-6 1.0e-6  
-     77 2 1.0e-6 150 6.5e-5 3.6e-5 1e-6 1.0e-6  
-     78 2 1.0e-6 150 7.5e-5 3.6e-5 1e-6 1.0e-6  
-     79 2 1.0e-6 150 8.5e-5 3.6e-5 1e-6 1.0e-6  
-     80 2 1.0e-6 150 9.5e-5 3.6e-5 1e-6 1.0e-6  
-
- Nutrients
-
-     1 sub l pp pp nd 1e-20 1e-20
-     2 o2 l pp pp nd 1e-3 1e-3
-
- Type Name
-
-     1 hetr
-     2 hety
-
- Diffusion Coeffs
-
-     sub 0
-     o2 2e-9
-
- Ks
-     
-     hety 0 3e-4
-     hetr 0 6e-4
-
- Growth Rate
-
-     hety 0.000022778
-     hetr 0.000045556
-
- Yield
-    
-     hety 0.046
-     hetr 0.023
-
- Maintenance
- 
-     hety 0
-     hetr 0
-
- Decay
-
-     hety 0
-     hetr 0
-
-
-
diff --git a/examples/competition-het/high-o2/visual/0_images/.data b/examples/competition-het/high-o2/visual/0_images/.data
deleted file mode 100644
index e69de29bb..000000000
diff --git a/examples/competition-het/high-o2/visual/PvrRotate100cubic.m b/examples/competition-het/high-o2/visual/PvrRotate100cubic.m
deleted file mode 100644
index bcc0cb7d4..000000000
--- a/examples/competition-het/high-o2/visual/PvrRotate100cubic.m
+++ /dev/null
@@ -1,56 +0,0 @@
-function [ POV_RAY ] = PvrRotate100cubic(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-fprintf(fid,['location <0, 60e-2, 10e-2>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-fprintf(fid,'look_at 0\n')
-fprintf(fid,'rotate <0, 0, 20>\n', rotate);
-fprintf(fid,'}\n');
-fprintf(fid,'// Create simualtion domain\n');
-fprintf(fid,'#declare b_x=0.05;\n');
-fprintf(fid,'#declare b_y=0.02;\n');
-fprintf(fid,'#declare b_z=0.05;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}\n');
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/examples/competition-het/high-o2/visual/run.sh b/examples/competition-het/high-o2/visual/run.sh
deleted file mode 100644
index b5d422fc7..000000000
--- a/examples/competition-het/high-o2/visual/run.sh
+++ /dev/null
@@ -1,4 +0,0 @@
-#!/bin/bash
-# Matlab povray script
-
-matlab -nodisplay -nosplash -nodesktop -r "run('visual100cubic.m');exit;"
diff --git a/examples/competition-het/high-o2/visual/visual100cubic.m b/examples/competition-het/high-o2/visual/visual100cubic.m
deleted file mode 100644
index efb084eaa..000000000
--- a/examples/competition-het/high-o2/visual/visual100cubic.m
+++ /dev/null
@@ -1,84 +0,0 @@
-clear;
-  dump = fopen('snapshot.bubblemd','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-0.05;
-Y = C{5}*1e+3-0.02;
-Z = C{6}*1e+3-0.05;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.8;
-        GREEN = 0.2;
-        BLUE = 0.2;
-        end 
-        
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrRotate100cubic(image, i)
-
-generate=['povray +H3000 +W3000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/examples/competition-het/low-o2/Inputscript.lammps b/examples/competition-het/low-o2/Inputscript.lammps
deleted file mode 100644
index 0fd195669..000000000
--- a/examples/competition-het/low-o2/Inputscript.lammps
+++ /dev/null
@@ -1,66 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 40
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0   5.0e-05
-
-variable kanc equal 50
-
-fix zwa all walladh v_kanc zplane  0.0   5.0e-05
-
-##############Define IBm Variables##############
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-variable EPSdens equal 30
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable layer equal -1
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 1000 30 12 15 v_diffT v_layer niter 5000
-fix kgm all kinetics/growth/monod
-fix g1 all kinetics/diffusion v_tol
-fix d1 all divide 1000 v_EPSdens v_divDia 31231
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-
-##############Simulation outputs##############
-
-dump		id all custom 10000 output.lammps id type diameter x y z
-#dump            d0 all bio 10000 ntypes avg_con
-dump		du1 all vtk 10000 atom_*.vtu id type diameter x y z
-dump		du2 all grid 10000 grid_%_*.vti con
-thermo_style    custom step cpu atoms c_myNtypes[*] 
-thermo		1000
-thermo_modify	lost ignore
-
-run 1550000
-
diff --git a/examples/competition-het/low-o2/atom.in b/examples/competition-het/low-o2/atom.in
deleted file mode 100644
index ba85a5f13..000000000
--- a/examples/competition-het/low-o2/atom.in
+++ /dev/null
@@ -1,135 +0,0 @@
-  Granular Flow Simulation 
-
-       80 atoms 
-       2 atom types 
-       2 nutrients
-
-   0.0   1.0e-04  xlo xhi 
-   0.0   4.0e-05  ylo yhi 
-   0.0   5.0e-05  zlo zhi 
-
- Atoms
-
-     1 1 1.0e-6 150 0.5e-5 0.5e-5 1e-6 1.0e-6  
-     2 1 1.0e-6 150 1.5e-5 0.5e-5 1e-6 1.0e-6  
-     3 1 1.0e-6 150 2.5e-5 0.5e-5 1e-6 1.0e-6  
-     4 1 1.0e-6 150 3.5e-5 0.5e-5 1e-6 1.0e-6  
-     5 1 1.0e-6 150 4.5e-5 0.5e-5 1e-6 1.0e-6  
-     6 1 1.0e-6 150 5.5e-5 0.5e-5 1e-6 1.0e-6  
-     7 1 1.0e-6 150 6.5e-5 0.5e-5 1e-6 1.0e-6  
-     8 1 1.0e-6 150 7.5e-5 0.5e-5 1e-6 1.0e-6  
-     9 1 1.0e-6 150 8.5e-5 0.5e-5 1e-6 1.0e-6  
-     10 1 1.0e-6 150 9.5e-5 0.5e-5 1e-6 1.0e-6  
-     11 1 1.0e-6 150 0.5e-5 1.5e-5 1e-6 1.0e-6  
-     12 1 1.0e-6 150 1.5e-5 1.5e-5 1e-6 1.0e-6  
-     13 1 1.0e-6 150 2.5e-5 1.5e-5 1e-6 1.0e-6  
-     14 1 1.0e-6 150 3.5e-5 1.5e-5 1e-6 1.0e-6  
-     15 1 1.0e-6 150 4.5e-5 1.5e-5 1e-6 1.0e-6  
-     16 1 1.0e-6 150 5.5e-5 1.5e-5 1e-6 1.0e-6  
-     17 1 1.0e-6 150 6.5e-5 1.5e-5 1e-6 1.0e-6  
-     18 1 1.0e-6 150 7.5e-5 1.5e-5 1e-6 1.0e-6  
-     19 1 1.0e-6 150 8.5e-5 1.5e-5 1e-6 1.0e-6  
-     20 1 1.0e-6 150 9.5e-5 1.5e-5 1e-6 1.0e-6  
-     21 1 1.0e-6 150 0.5e-5 2.5e-5 1e-6 1.0e-6  
-     22 1 1.0e-6 150 1.5e-5 2.5e-5 1e-6 1.0e-6  
-     23 1 1.0e-6 150 2.5e-5 2.5e-5 1e-6 1.0e-6  
-     24 1 1.0e-6 150 3.5e-5 2.5e-5 1e-6 1.0e-6  
-     25 1 1.0e-6 150 4.5e-5 2.5e-5 1e-6 1.0e-6  
-     26 1 1.0e-6 150 5.5e-5 2.5e-5 1e-6 1.0e-6  
-     27 1 1.0e-6 150 6.5e-5 2.5e-5 1e-6 1.0e-6  
-     28 1 1.0e-6 150 7.5e-5 2.5e-5 1e-6 1.0e-6  
-     29 1 1.0e-6 150 8.5e-5 2.5e-5 1e-6 1.0e-6  
-     30 1 1.0e-6 150 9.5e-5 2.5e-5 1e-6 1.0e-6  
-     31 1 1.0e-6 150 0.5e-5 3.5e-5 1e-6 1.0e-6  
-     32 1 1.0e-6 150 1.5e-5 3.5e-5 1e-6 1.0e-6  
-     33 1 1.0e-6 150 2.5e-5 3.5e-5 1e-6 1.0e-6  
-     34 1 1.0e-6 150 3.5e-5 3.5e-5 1e-6 1.0e-6  
-     35 1 1.0e-6 150 4.5e-5 3.5e-5 1e-6 1.0e-6  
-     36 1 1.0e-6 150 5.5e-5 3.5e-5 1e-6 1.0e-6  
-     37 1 1.0e-6 150 6.5e-5 3.5e-5 1e-6 1.0e-6  
-     38 1 1.0e-6 150 7.5e-5 3.5e-5 1e-6 1.0e-6  
-     39 1 1.0e-6 150 8.5e-5 3.5e-5 1e-6 1.0e-6  
-     40 1 1.0e-6 150 9.5e-5 3.5e-5 1e-6 1.0e-6  
-     41 2 1.0e-6 150 0.5e-5 0.6e-5 1e-6 1.0e-6  
-     42 2 1.0e-6 150 1.5e-5 0.6e-5 1e-6 1.0e-6  
-     43 2 1.0e-6 150 2.5e-5 0.6e-5 1e-6 1.0e-6  
-     44 2 1.0e-6 150 3.5e-5 0.6e-5 1e-6 1.0e-6  
-     45 2 1.0e-6 150 4.5e-5 0.6e-5 1e-6 1.0e-6  
-     46 2 1.0e-6 150 5.5e-5 0.6e-5 1e-6 1.0e-6  
-     47 2 1.0e-6 150 6.5e-5 0.6e-5 1e-6 1.0e-6  
-     48 2 1.0e-6 150 7.5e-5 0.6e-5 1e-6 1.0e-6  
-     49 2 1.0e-6 150 8.5e-5 0.6e-5 1e-6 1.0e-6  
-     50 2 1.0e-6 150 9.5e-5 0.6e-5 1e-6 1.0e-6  
-     51 2 1.0e-6 150 0.5e-5 1.6e-5 1e-6 1.0e-6  
-     52 2 1.0e-6 150 1.5e-5 1.6e-5 1e-6 1.0e-6  
-     53 2 1.0e-6 150 2.5e-5 1.6e-5 1e-6 1.0e-6  
-     54 2 1.0e-6 150 3.5e-5 1.6e-5 1e-6 1.0e-6  
-     55 2 1.0e-6 150 4.5e-5 1.6e-5 1e-6 1.0e-6  
-     56 2 1.0e-6 150 5.5e-5 1.6e-5 1e-6 1.0e-6  
-     57 2 1.0e-6 150 6.5e-5 1.6e-5 1e-6 1.0e-6  
-     58 2 1.0e-6 150 7.5e-5 1.6e-5 1e-6 1.0e-6  
-     59 2 1.0e-6 150 8.5e-5 1.6e-5 1e-6 1.0e-6  
-     60 2 1.0e-6 150 9.5e-5 1.6e-5 1e-6 1.0e-6  
-     61 2 1.0e-6 150 0.5e-5 2.6e-5 1e-6 1.0e-6  
-     62 2 1.0e-6 150 1.5e-5 2.6e-5 1e-6 1.0e-6  
-     63 2 1.0e-6 150 2.5e-5 2.6e-5 1e-6 1.0e-6  
-     64 2 1.0e-6 150 3.5e-5 2.6e-5 1e-6 1.0e-6  
-     65 2 1.0e-6 150 4.5e-5 2.6e-5 1e-6 1.0e-6  
-     66 2 1.0e-6 150 5.5e-5 2.6e-5 1e-6 1.0e-6  
-     67 2 1.0e-6 150 6.5e-5 2.6e-5 1e-6 1.0e-6  
-     68 2 1.0e-6 150 7.5e-5 2.6e-5 1e-6 1.0e-6  
-     69 2 1.0e-6 150 8.5e-5 2.6e-5 1e-6 1.0e-6  
-     70 2 1.0e-6 150 9.5e-5 2.6e-5 1e-6 1.0e-6  
-     71 2 1.0e-6 150 0.5e-5 3.6e-5 1e-6 1.0e-6  
-     72 2 1.0e-6 150 1.5e-5 3.6e-5 1e-6 1.0e-6  
-     73 2 1.0e-6 150 2.5e-5 3.6e-5 1e-6 1.0e-6  
-     74 2 1.0e-6 150 3.5e-5 3.6e-5 1e-6 1.0e-6  
-     75 2 1.0e-6 150 4.5e-5 3.6e-5 1e-6 1.0e-6  
-     76 2 1.0e-6 150 5.5e-5 3.6e-5 1e-6 1.0e-6  
-     77 2 1.0e-6 150 6.5e-5 3.6e-5 1e-6 1.0e-6  
-     78 2 1.0e-6 150 7.5e-5 3.6e-5 1e-6 1.0e-6  
-     79 2 1.0e-6 150 8.5e-5 3.6e-5 1e-6 1.0e-6  
-     80 2 1.0e-6 150 9.5e-5 3.6e-5 1e-6 1.0e-6  
-
- Nutrients
-
-     1 sub l pp pp nd 1e-20 1e-20
-     2 o2 l pp pp nd 5e-5 5e-5
-
- Type Name
-
-     1 hetr
-     2 hety
-
- Diffusion Coeffs
-
-     sub 0
-     o2 2e-9
-
- Ks
-     
-     hety 0 3e-4
-     hetr 0 6e-4
-
- Growth Rate
-
-     hety 0.000022778
-     hetr 0.000045556
-
- Yield
-    
-     hety 0.046
-     hetr 0.023
-
- Maintenance
- 
-     hety 0
-     hetr 0
-
- Decay
-
-     hety 0
-     hetr 0
-
-
-
diff --git a/examples/competition-het/low-o2/visual/0_images/.data b/examples/competition-het/low-o2/visual/0_images/.data
deleted file mode 100644
index e69de29bb..000000000
diff --git a/examples/competition-het/low-o2/visual/PvrRotate100cubic.m b/examples/competition-het/low-o2/visual/PvrRotate100cubic.m
deleted file mode 100644
index bcc0cb7d4..000000000
--- a/examples/competition-het/low-o2/visual/PvrRotate100cubic.m
+++ /dev/null
@@ -1,56 +0,0 @@
-function [ POV_RAY ] = PvrRotate100cubic(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-fprintf(fid,['location <0, 60e-2, 10e-2>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-fprintf(fid,'look_at 0\n')
-fprintf(fid,'rotate <0, 0, 20>\n', rotate);
-fprintf(fid,'}\n');
-fprintf(fid,'// Create simualtion domain\n');
-fprintf(fid,'#declare b_x=0.05;\n');
-fprintf(fid,'#declare b_y=0.02;\n');
-fprintf(fid,'#declare b_z=0.05;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}\n');
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/examples/competition-het/low-o2/visual/run.sh b/examples/competition-het/low-o2/visual/run.sh
deleted file mode 100644
index b5d422fc7..000000000
--- a/examples/competition-het/low-o2/visual/run.sh
+++ /dev/null
@@ -1,4 +0,0 @@
-#!/bin/bash
-# Matlab povray script
-
-matlab -nodisplay -nosplash -nodesktop -r "run('visual100cubic.m');exit;"
diff --git a/examples/competition-het/low-o2/visual/visual100cubic.m b/examples/competition-het/low-o2/visual/visual100cubic.m
deleted file mode 100644
index efb084eaa..000000000
--- a/examples/competition-het/low-o2/visual/visual100cubic.m
+++ /dev/null
@@ -1,84 +0,0 @@
-clear;
-  dump = fopen('snapshot.bubblemd','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-0.05;
-Y = C{5}*1e+3-0.02;
-Z = C{6}*1e+3-0.05;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.8;
-        GREEN = 0.2;
-        BLUE = 0.2;
-        end 
-        
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrRotate100cubic(image, i)
-
-generate=['povray +H3000 +W3000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/examples/competition-het/low-o2/Allclean.sh b/examples/cyanobacteria-sucrose/Allclean.sh
similarity index 62%
rename from examples/competition-het/low-o2/Allclean.sh
rename to examples/cyanobacteria-sucrose/Allclean.sh
index 768acbd26..3d13552d3 100755
--- a/examples/competition-het/low-o2/Allclean.sh
+++ b/examples/cyanobacteria-sucrose/Allclean.sh
@@ -2,7 +2,11 @@ rm snapshot_*
 rm grid_*
 rm dump_*
 rm atom_*
-rm slurm-*
+rm *.h5
+rm Inputscript_*
 rm -rf Results
+rm -rf Run*
+rm run*
+rm *.out
 rm output.lammps
 rm log.lammps
diff --git a/examples/cyanobacteria-sucrose/Inputscript-template.txt b/examples/cyanobacteria-sucrose/Inputscript-template.txt
new file mode 100755
index 000000000..fd2d8d402
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/Inputscript-template.txt
@@ -0,0 +1,100 @@
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * *
+
+comm_modify	vel yes
+variable reps loop ${Replicates}
+read_data_bio atom_${n}_${reps}.in
+shell mkdir Run_${n}_${reps}
+shell cd Run_${n}_${reps}
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+region reg block 0 1000 0 1000 0 100
+
+${CYANOGroup}
+${ECWGroup}
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  ${Zheight}
+
+variable kanc equal 50
+
+variable ke equal 5e+10
+
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia1 equal 1.96e-6
+variable divDia2 equal 1.04e-6
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 ${GridMesh} v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp $SucRatio
+fix g1 all kinetics/diffusion v_tol
+${CYANODiv}
+${ECWDiv}
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 100 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 100 v_light <= 1e-19
+
+##############Simulation Output##############
+dump    id all custom 100 output.lammmps id type diameter x y z
+dump    du1 all vtk 100 atom_*.vtu id type diameter x y z
+dump    du2 all grid 100 grid_%_*.vti con
+dump    du3 all bio 100 ntypes biomass avg_con
+dump    traj all bio/hdf5 100 trajectory.h5 id type radius x y z con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		100
+thermo_modify	lost ignore
+
+
+run $Timesteps
+shell cd ..
+clear
+next reps
+jump SELF
diff --git a/examples/cyanobacteria-sucrose/Inputscript.lammps b/examples/cyanobacteria-sucrose/Inputscript.lammps
new file mode 100755
index 000000000..f103b5ed4
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/Inputscript.lammps
@@ -0,0 +1,97 @@
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * *
+
+comm_modify	vel yes
+read_data_bio atom_1_1.in
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+group ECW type 2
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+fix gr all gravity 1 vector 0 0 -1
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia1 equal 1.96e-6
+variable divDia2 equal 1.04e-6
+
+#variable used for sucrose export
+#variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp 1
+fix g1 all kinetics/diffusion v_tol
+fix d1 CYANO divide 100 v_EPSdens v_divDia1 64564
+fix d2 ECW divide 100 v_EPSdens v_divDia2 15384
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1000 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1000 v_light <= 1e-19
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump        du1 all bio/hdf5 60 dump.h5 id type radius x y z con
+dump            du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+run 36000
diff --git a/examples/cyanobacteria-sucrose/Inputscript_1.lammps b/examples/cyanobacteria-sucrose/Inputscript_1.lammps
new file mode 100755
index 000000000..50f42de15
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/Inputscript_1.lammps
@@ -0,0 +1,98 @@
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * *
+
+comm_modify	vel yes
+variable reps loop 1
+read_data_bio atom_1_${reps}.in
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+variable ke equal 5e+10
+
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia1 equal 1.96e-6
+variable divDia2 equal 1.04e-6
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp 0.437
+fix g1 all kinetics/diffusion v_tol
+fix d1 CYANO divide 100 v_EPSdens v_divDia1 975350
+
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 100 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 100 v_light <= 1e-19
+
+##############Simulation Output##############
+dump		id all custom 100 output.lammmps id type diameter x y z
+dump        du1 all bio/hdf5 100 dump*.h5 id type radius x y z con
+dump            du3 all bio 100 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		100
+thermo_modify	lost ignore
+
+shell mkdir Run_1_${reps}
+shell cd Run_1_${reps}
+run 35000
+shell cd ..
+clear
+next reps
+jump SELF
diff --git a/examples/cyanobacteria-sucrose/Inputscript_1.slurm b/examples/cyanobacteria-sucrose/Inputscript_1.slurm
new file mode 100755
index 000000000..a9573bf31
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/Inputscript_1.slurm
@@ -0,0 +1,27 @@
+#!/bin/bash -l
+#SBATCH -J NUFEB_cyano1
+#SBATCH -p batch
+#SBATCH --nodes 1
+#SBATCH --ntasks-per-node 32
+#SBATCH --cpus-per-task 1
+#SBATCH --exclusive
+#SBATCH --mem=100g
+#SBATCH -A cnms
+#SBATCH -t 10:00:00
+#SBATCH --mail-type=FAIL
+#SBATCH --mail-user=sakkosjo@msu.edu
+
+module purge
+module load env/cades-cnms
+. $SOFTWARECNMS/spack/share/spack/setup-env.sh
+spack load openmpi/qnfab5m
+spack load vtk%gcc@8.2.0
+
+#export OMP_NUM_THREADS=1
+
+export LAMMPS=/lustre/or-hydra/cades-cnms/12x/NUFEB/lammps/src/lmp_mpi
+
+ldd $LAMMPS
+
+mpirun -np 32 $LAMMPS -in Inputscript_1.lammps
+tar -zcf Run_1.tar.gz Run_1_* run_1.pkl atom_1_1.in Inputscript_1.lammps
diff --git a/examples/cyanobacteria-sucrose/NUFEBatom.py b/examples/cyanobacteria-sucrose/NUFEBatom.py
new file mode 100755
index 000000000..c1e018b0a
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/NUFEBatom.py
@@ -0,0 +1,181 @@
+import random
+import argparse
+import numpy as np
+import pickle
+from string import Template
+
+parser = argparse.ArgumentParser(description='Create atom definition files')
+parser.add_argument('--n', dest='num', action='store',
+                   default=1,
+                   help='Create atom definition files for NUFEB with --n #files desired (default is 1)')
+parser.add_argument('--r', dest='reps', action='store',
+                   default=1,
+                   help='Number of replicates')
+parser.add_argument('--c',dest='culture_type',action='store',default='co',
+                    help='Set culture conditions with --c (co-culture), --ax-c (cyano), --ax-e (e.coli)')
+parser.add_argument('--co2', dest='co2', action='store',
+                   default=1e3,
+                   help='Set initial CO2 concentration (mM)')
+parser.add_argument('--d', dest='dims', action='store', type=str,
+                   default='1e-4,1e-4,1e-5',
+                   help='Set simulation box dimensions (m)')
+parser.add_argument('--t', dest='timesteps', action='store',
+                   default=35000,
+                   help='Number of timesteps to run')
+parser.add_argument('--suc', dest='sucrose', action='store',
+                   default=1e-19,
+                   help='Set initial sucrose concentration (mM)')
+parser.add_argument('--grid', dest='grid', action='store',
+                   default=2,
+                   help='Diffusion grid density (um/grid)')
+
+args = parser.parse_args()
+
+mu_cyanos = round(0.06/3600,7)
+mu_ecw = 2.7e-04
+CO2MW = 44.01
+SucMW = 342.3
+
+for n in range(1,int(args.num)+1):
+    SucRatio = round(random.random(),3)
+    if args.culture_type == 'co':
+        cell_types = ['cyano','ecw']
+        n_cyanos = int(random.uniform(1,100))
+        n_ecw = int(random.uniform(1,100))
+        n_cells = n_cyanos + n_ecw
+        cyGroup = 'group CYANO type 1'
+        ecwGroup = 'group ECW type 2'
+        cyDiv = f'fix d1 CYANO divide 100 v_EPSdens v_divDia1 {random.randint(1,1e6)}'
+        ecwDiv = f'fix d2 ECW divide 100 v_EPSdens v_divDia2 {random.randint(1,1e6)}'
+    elif args.culture_type == 'ax-c':
+        cell_types = ['cyano']
+        n_cyanos = int(random.uniform(1,100))
+        n_ecw = 0
+        n_cells = n_cyanos
+        cyGroup = 'group CYANO type 1'
+        ecwGroup = ''
+        cyDiv = f'fix d1 CYANO divide 100 v_EPSdens v_divDia1 {random.randint(1,1e6)}'
+        ecwDiv = ''
+    elif args.culture_type == 'ax-e':
+        cell_types = ['ecw']
+        n_ecw = int(random.uniform(1,100))
+        n_cyanos=0
+        n_cells = n_ecw
+        cyGroup = ''
+        ecwGroup = 'group ECW type 1'
+        cyDiv = ''
+        ecwDiv = f'fix d2 ECW divide 100 v_EPSdens v_divDia2 {random.randint(1,1e6)}'
+
+    InitialConditions = {'cyano': {'StartingCells' : n_cyanos,'GrowthRate' : mu_cyanos,
+           'min_size' : 1.37e-6, 'max_size' : 1.94e-6, 'Density' : 370,
+             'K_s' : {'sub' : 3.5e-4,'o2' : 2e-4, 'suc' : 1e-2,'co2' : 1.38e-4},
+            'GrowthParams' : {'Yield' : 0.55,'Maintenance' : 0,'Decay' : 0}},
+             'ecw': {'StartingCells' : n_ecw,'GrowthRate' : mu_ecw,
+           'min_size' : 8.8e-7, 'max_size' : 1.04e-6, 'Density' : 236,
+             'K_s' : {'sub' : 0,'o2' : 1e-3, 'suc' : 3.6,'co2' : 5e-2},
+            'GrowthParams' : {'Yield' : 0.43,'Maintenance' : 9.50e-7,'Decay' : 2e-5}},
+            'Nutrients' : {'Concentration' :  {'sub' : 1e-1,'o2' : 9e-3, 'suc' : float(args.sucrose)*SucMW*1e-3, 'co2' : float(args.co2)*CO2MW*1e-3},
+            'State' : {'sub' : 'g','o2' : 'l', 'suc' : 'l', 'co2' : 'l'},
+            'xbc' : {'sub' : 'nn','o2' : 'nn', 'suc' : 'nn', 'co2' : 'nn'},
+            'ybc' : {'sub' : 'nn','o2' : 'nn', 'suc' : 'nn', 'co2' : 'nn'},
+            'zbc' : {'sub' : 'nn','o2' : 'nn', 'suc' : 'nn', 'co2' : 'nn'}},
+            'Diff_c' : {'sub' : 0,'o2' : 2.30e-9, 'suc' : 5.2e-10,'co2' : 1.9e-09},
+            'Dimensions' : [float(x) for x in args.dims.split(',')],'SucRatio' : SucRatio,'Replicates' : int(args.reps)
+
+            }
+    grids = int(args.grid)
+    while True:
+        if InitialConditions["Dimensions"][0]*1e6 % grids == 0 and InitialConditions["Dimensions"][1]*1e6 % grids == 0 and InitialConditions["Dimensions"][2]*1e6 % grids == 0:
+            Mesh = f'{int(InitialConditions["Dimensions"][0]*1e6/grids)} {int(InitialConditions["Dimensions"][1]*1e6/grids)} {int(InitialConditions["Dimensions"][2]*1e6/grids)}'
+            break
+        else:
+            grids +=1
+
+    NutesNum = len(InitialConditions['Nutrients']['Concentration'])
+    for r in range(1,int(args.reps)+1):
+        L = [' NUFEB Simulation\r\n\n',f'     {n_cells} atoms \n',
+             f'     {len(cell_types)} atom types \n',f'     {NutesNum} nutrients \n\n',
+             f'  0.0e-4   {InitialConditions["Dimensions"][0] :.2e}  xlo xhi \n',f'  0.0e-4   {InitialConditions["Dimensions"][1] :.2e}  ylo yhi \n',
+             f'  0.0e-4   {InitialConditions["Dimensions"][2] :.2e}  zlo zhi \n\n', ' Atoms \n\n'
+             ]
+
+        j = 1
+        for c, CellType in enumerate(cell_types,start=1):
+            for i in range(j,InitialConditions[CellType]['StartingCells']+j):
+                size = random.uniform(InitialConditions[CellType]['min_size'],
+                                      InitialConditions[CellType]['max_size'])
+                x = random.uniform(0+size,InitialConditions['Dimensions'][0]-size)
+                y = random.uniform(0+size,InitialConditions['Dimensions'][1]-size)
+                z = random.uniform(0+size,InitialConditions['Dimensions'][2]-size)
+                L.append(f'     %d {c} {size :.2e}  {InitialConditions[CellType]["Density"]} {x :.2e} {y :.2e} {z :.2e} {size :.2e} \n'% (i))
+                j += 1
+
+        L.append('\n')
+        L.append(' Nutrients \n\n')
+        for i,nute in enumerate(InitialConditions['Nutrients']['Concentration'].keys()):
+            L.append(f'     %d {nute} {InitialConditions["Nutrients"]["State"][nute]} {InitialConditions["Nutrients"]["xbc"][nute]} {InitialConditions["Nutrients"]["ybc"][nute]} {InitialConditions["Nutrients"]["zbc"][nute]} {InitialConditions["Nutrients"]["Concentration"][nute] :.2e} {InitialConditions["Nutrients"]["Concentration"][nute] :.2e} \n'% (i+1))
+
+        L.append('\n')
+        L.append(' Type Name \n\n')
+        for c, CellType in enumerate(cell_types,start=1):
+            L.append(f'     {c} {CellType}  \n')
+        L.append('\n')
+        L.append(' Diffusion Coeffs \n\n')
+        for key in InitialConditions['Diff_c'].keys():
+            L.append(f'     {key} {InitialConditions["Diff_c"][key]} \n')
+        L.append('\n')
+        L.append(' Growth Rate \n\n')
+        for CellType in cell_types:
+            L.append(f'     {CellType} {InitialConditions[CellType]["GrowthRate"]} \n')
+        L.append('\n')
+        L.append(' Ks \n\n')
+        for CellType in cell_types:
+            k = f'     {CellType}'
+            for key in InitialConditions[CellType]['K_s'].keys():
+                k = k + ' ' + str(InitialConditions[CellType]['K_s'][key])
+            k = k + f' \n'
+            L.append(k)
+        L.append('\n')
+        for key in InitialConditions["cyano"]['GrowthParams'].keys():
+            L.append(' ' + key + f' \n\n')
+            for CellType in cell_types:
+                L.append(f'     {CellType} {InitialConditions[CellType]["GrowthParams"][key]} \n')
+            L.append('\n')
+
+
+        L.append('\n\n')
+
+        #write atom definition file
+        f= open(f"atom_{n}_{r}.in","w+")
+        f.writelines(L)
+
+
+    #write initial conditions pickle file
+    dumpfile = open(f"run_{n}.pkl",'wb')
+    pickle.dump(InitialConditions,dumpfile)
+    dumpfile.close()
+    #write Inputscript
+    #open the file
+    filein = open( 'Inputscript-template.txt' )
+    #read it
+    src = Template( filein.read() )
+    #do the substitution
+    result = src.safe_substitute({'n' : n, 'SucRatio' : SucRatio,
+                                  'Replicates' : args.reps,'Timesteps' : args.timesteps,
+                                  'CYANOGroup' : cyGroup,
+                                  'ECWGroup' : ecwGroup,
+                                  'Zheight' : InitialConditions["Dimensions"][2],
+                                 'CYANODiv'  : cyDiv, 'ECWDiv' : ecwDiv,
+                                 'GridMesh' : f'{int(InitialConditions["Dimensions"][0]*1e6/int(args.grid))} {int(InitialConditions["Dimensions"][1]*1e6/int(args.grid))} {int(InitialConditions["Dimensions"][2]*1e6/int(args.grid))}'
+                                 })
+    f= open(f"Inputscript_{n}.lammps","w+")
+    f.writelines(result)
+    #write slurm script
+    #open the file
+    filein = open( 'slurm-template.txt' )
+    #read it
+    src = Template( filein.read() )
+    #do the substitution
+    result = src.safe_substitute({'n' : n, 'job' : f"NUFEB_cyano{n}",'USER' : 'sakkosjo','Reps'  : args.reps})
+    f= open(f"Inputscript_{n}.slurm","w+")
+    f.writelines(result)
diff --git a/examples/cyanobacteria-sucrose/VTK.py b/examples/cyanobacteria-sucrose/VTK.py
new file mode 100755
index 000000000..cc1e2fb31
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/VTK.py
@@ -0,0 +1,52 @@
+import vtk
+colors = vtk.vtkNamedColors()
+atom = './Run_1_1/atom_0.vtu'
+box = './Run_1_1/atom_0_boundingBox.vtr'
+    # Read the source file.
+    # Create the reader for the data.
+# print("Loading ", filename)
+reader = vtk.vtkXMLUnstructuredGridReader()
+reader.SetFileName(atom)
+reader.Update()
+output = reader.GetOutput()
+diameters = output.GetPointData().GetArray('diameter')
+types = output.GetPointData().GetArray('type')
+points = output.GetPointData()
+
+
+# Glyph the points
+sphere = vtk.vtkSphereSource()
+
+# sphere.SetRadius(diameters)
+# # Set up the glyph filter
+glyph = vtk.vtkGlyph3D()
+# glyph.SetInputConnection(output.GetOutputPort())
+# glyph.SetSourceConnection(sphere.GetOutputPort())
+
+
+# # Create the mapper that creates graphics elements
+mapper = vtk.vtkDataSetMapper()
+mapper.SetInputConnection(reader.GetOutputPort())
+
+# # Create the Actor
+actor = vtk.vtkActor()
+actor.SetMapper(mapper)
+# # show the edges of the image grid
+actor.GetProperty().SetRepresentationToWireframe()
+# actor.GetProperty().SetColor(colors.GetColor3d("DarkSalmon"))
+
+# # Create the Renderer
+renderer = vtk.vtkRenderer()
+renderer.AddActor(actor)
+renderer.ResetCamera()
+# renderer.SetBackground(colors.GetColor3d("Silver"))
+
+# # Create the RendererWindow
+renderer_window = vtk.vtkRenderWindow()
+renderer_window.AddRenderer(renderer)
+
+# # Create the RendererWindowInteractor and display the vti file
+interactor = vtk.vtkRenderWindowInteractor()
+interactor.SetRenderWindow(renderer_window)
+interactor.Initialize()
+interactor.Start()
diff --git a/examples/cyanobacteria-sucrose/atom.in b/examples/cyanobacteria-sucrose/atom.in
new file mode 100755
index 000000000..f7eb6d582
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/atom.in
@@ -0,0 +1,70 @@
+ NUFEB Simulation

+
+     0 atoms
+     3 atom types
+     7 nutrients
+
+  0.0e-4   1.00e-04  xlo xhi
+  0.0e-4   1.00e-04  ylo yhi
+  0.0e-4   1.00e-05  zlo zhi
+
+ Atoms
+
+ Nutrients
+
+     1 sub g 1.00e-01 1.00e-01 1.00e-01 1.00e-01 1.00e-01 1.00e-01 1.00e-01
+     2 o2 l 9e-3 9e-3 9e-3 9e-3 9e-3 9e-3 9e-3
+     3 no2 l 1.00e-04 1.00e-04 1.00e-04 1.00e-04 1.00e-04 1.00e-04 1.00e-04
+     4 no3 l 1.00e-04 1.00e-04 1.00e-04 1.00e-04 1.00e-04 1.00e-04 1.00e-04
+     5 nh4 l 1.00e-04 1.00e-04 1.00e-04 1.00e-04 1.00e-04 1.00e-04 1.00e-04
+     6 suc l 1e-20 1e-20 1e-20 1e-20 1e-20 1e-20 1e-20
+     7 co2 g 1.00e-01 1.00e-01 1.00e-01 1.00e-01 1.00e-01 1.00e-01 1.00e-01
+ Type Name
+
+     1 cyano
+     2 ecw
+     3 dead
+
+ Diffusion Coeffs
+
+     sub 0
+     o2 2.3e-09
+     no2 1.15e-09
+     no3 1.15e-09
+     nh4 1.9e-09
+     suc 5.2e-10
+     co2 0 #1.9e-09
+
+ Ks
+
+     cyano 3.5e-04 2e-4 0 0 0 1e-2 1e-4
+     ecw 0 3.5e-04 0 0 0 3.5e-04 0
+     dead 0 0 0 0 0 0 0
+
+ Growth Rate
+
+     cyano 2.25e-05
+     ecw 2.7e-04
+     dead 0
+
+
+
+ Yield
+
+     cyano 0.6
+     ecw 0.43
+     dead 0
+
+
+ Maintenance
+
+     cyano 0
+     ecw 0
+     dead 0
+
+
+ Decay
+
+     cyano 0
+     ecw 0
+     dead 0
diff --git a/examples/cyanobacteria-sucrose/atom_1_1.in b/examples/cyanobacteria-sucrose/atom_1_1.in
new file mode 100755
index 000000000..22e8557ec
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/atom_1_1.in
@@ -0,0 +1,150 @@
+ NUFEB Simulation
+
+     97 atoms 
+     1 atom types 
+     4 nutrients 
+
+  0.0e-4   1.00e-04  xlo xhi 
+  0.0e-4   1.00e-04  ylo yhi 
+  0.0e-4   1.00e-05  zlo zhi 
+
+ Atoms 
+
+     1 1 1.44e-06  370 9.32e-05 7.84e-05 6.01e-06 1.44e-06 
+     2 1 1.75e-06  370 7.56e-05 8.84e-05 6.45e-06 1.75e-06 
+     3 1 1.55e-06  370 4.34e-05 6.20e-05 6.29e-06 1.55e-06 
+     4 1 1.61e-06  370 7.42e-05 7.24e-05 5.15e-06 1.61e-06 
+     5 1 1.88e-06  370 4.66e-05 1.13e-05 3.01e-06 1.88e-06 
+     6 1 1.74e-06  370 7.29e-05 1.78e-05 2.37e-06 1.74e-06 
+     7 1 1.41e-06  370 8.86e-05 6.04e-05 6.30e-06 1.41e-06 
+     8 1 1.55e-06  370 9.12e-05 4.66e-05 1.66e-06 1.55e-06 
+     9 1 1.76e-06  370 5.23e-06 5.49e-05 3.95e-06 1.76e-06 
+     10 1 1.51e-06  370 3.41e-05 4.04e-06 8.30e-06 1.51e-06 
+     11 1 1.67e-06  370 5.14e-05 1.27e-05 4.64e-06 1.67e-06 
+     12 1 1.75e-06  370 7.76e-05 7.83e-05 6.60e-06 1.75e-06 
+     13 1 1.45e-06  370 6.30e-05 6.36e-05 8.47e-06 1.45e-06 
+     14 1 1.73e-06  370 6.77e-05 5.91e-05 6.22e-06 1.73e-06 
+     15 1 1.79e-06  370 4.70e-05 5.61e-06 5.37e-06 1.79e-06 
+     16 1 1.40e-06  370 6.43e-05 4.80e-05 7.39e-06 1.40e-06 
+     17 1 1.73e-06  370 5.77e-05 6.67e-05 2.42e-06 1.73e-06 
+     18 1 1.74e-06  370 7.82e-05 9.82e-05 4.12e-06 1.74e-06 
+     19 1 1.54e-06  370 7.65e-05 1.28e-05 5.34e-06 1.54e-06 
+     20 1 1.70e-06  370 9.65e-05 4.17e-05 8.14e-06 1.70e-06 
+     21 1 1.67e-06  370 8.88e-05 6.48e-05 7.48e-06 1.67e-06 
+     22 1 1.51e-06  370 1.88e-06 1.38e-05 2.09e-06 1.51e-06 
+     23 1 1.38e-06  370 8.59e-05 8.41e-05 1.57e-06 1.38e-06 
+     24 1 1.55e-06  370 2.81e-06 5.26e-05 4.77e-06 1.55e-06 
+     25 1 1.72e-06  370 3.64e-05 7.93e-05 1.91e-06 1.72e-06 
+     26 1 1.60e-06  370 7.11e-05 9.58e-05 5.66e-06 1.60e-06 
+     27 1 1.68e-06  370 9.06e-05 6.53e-05 6.92e-06 1.68e-06 
+     28 1 1.88e-06  370 5.44e-05 6.77e-05 5.96e-06 1.88e-06 
+     29 1 1.50e-06  370 4.19e-05 1.89e-05 8.36e-06 1.50e-06 
+     30 1 1.68e-06  370 9.49e-05 6.19e-05 7.39e-06 1.68e-06 
+     31 1 1.92e-06  370 6.99e-05 1.34e-05 4.07e-06 1.92e-06 
+     32 1 1.40e-06  370 5.65e-05 4.69e-06 6.27e-06 1.40e-06 
+     33 1 1.53e-06  370 6.75e-05 7.00e-05 3.58e-06 1.53e-06 
+     34 1 1.81e-06  370 7.37e-05 5.90e-05 3.99e-06 1.81e-06 
+     35 1 1.68e-06  370 8.26e-05 4.02e-05 3.90e-06 1.68e-06 
+     36 1 1.81e-06  370 5.63e-05 9.71e-05 7.02e-06 1.81e-06 
+     37 1 1.89e-06  370 6.43e-05 4.90e-05 6.15e-06 1.89e-06 
+     38 1 1.61e-06  370 7.45e-05 5.49e-05 6.26e-06 1.61e-06 
+     39 1 1.86e-06  370 3.56e-05 4.44e-05 7.12e-06 1.86e-06 
+     40 1 1.85e-06  370 5.96e-05 2.68e-05 5.47e-06 1.85e-06 
+     41 1 1.68e-06  370 8.59e-05 4.19e-05 6.28e-06 1.68e-06 
+     42 1 1.38e-06  370 2.46e-05 1.67e-05 7.55e-06 1.38e-06 
+     43 1 1.43e-06  370 1.32e-05 5.93e-05 3.46e-06 1.43e-06 
+     44 1 1.79e-06  370 3.31e-05 1.65e-05 4.43e-06 1.79e-06 
+     45 1 1.83e-06  370 1.06e-05 4.51e-05 4.36e-06 1.83e-06 
+     46 1 1.55e-06  370 8.33e-05 7.69e-05 7.68e-06 1.55e-06 
+     47 1 1.91e-06  370 3.79e-05 6.20e-05 4.97e-06 1.91e-06 
+     48 1 1.53e-06  370 4.94e-06 4.13e-05 8.27e-06 1.53e-06 
+     49 1 1.38e-06  370 2.83e-05 9.52e-05 7.35e-06 1.38e-06 
+     50 1 1.50e-06  370 7.59e-05 8.20e-05 4.17e-06 1.50e-06 
+     51 1 1.90e-06  370 4.77e-05 6.88e-05 2.81e-06 1.90e-06 
+     52 1 1.54e-06  370 5.05e-05 5.39e-05 7.38e-06 1.54e-06 
+     53 1 1.37e-06  370 6.63e-05 3.01e-05 4.20e-06 1.37e-06 
+     54 1 1.39e-06  370 3.58e-05 5.42e-05 1.55e-06 1.39e-06 
+     55 1 1.86e-06  370 3.16e-06 6.55e-05 5.85e-06 1.86e-06 
+     56 1 1.81e-06  370 7.50e-05 1.30e-05 2.80e-06 1.81e-06 
+     57 1 1.51e-06  370 4.13e-05 1.94e-05 3.16e-06 1.51e-06 
+     58 1 1.58e-06  370 4.99e-05 1.45e-05 3.52e-06 1.58e-06 
+     59 1 1.78e-06  370 3.77e-06 1.80e-05 5.04e-06 1.78e-06 
+     60 1 1.68e-06  370 8.31e-05 4.12e-05 3.36e-06 1.68e-06 
+     61 1 1.44e-06  370 6.70e-05 4.75e-05 7.72e-06 1.44e-06 
+     62 1 1.43e-06  370 8.61e-05 3.06e-05 4.55e-06 1.43e-06 
+     63 1 1.61e-06  370 5.52e-05 3.74e-05 1.63e-06 1.61e-06 
+     64 1 1.68e-06  370 9.55e-05 2.73e-05 4.95e-06 1.68e-06 
+     65 1 1.65e-06  370 5.62e-05 7.68e-05 7.13e-06 1.65e-06 
+     66 1 1.59e-06  370 8.90e-06 2.42e-05 6.83e-06 1.59e-06 
+     67 1 1.40e-06  370 7.11e-05 1.75e-05 4.63e-06 1.40e-06 
+     68 1 1.71e-06  370 1.79e-05 9.21e-05 5.54e-06 1.71e-06 
+     69 1 1.38e-06  370 5.75e-05 2.91e-05 8.51e-06 1.38e-06 
+     70 1 1.47e-06  370 7.25e-05 3.32e-05 6.58e-06 1.47e-06 
+     71 1 1.50e-06  370 2.34e-05 8.12e-05 5.84e-06 1.50e-06 
+     72 1 1.85e-06  370 5.23e-05 3.96e-05 6.11e-06 1.85e-06 
+     73 1 1.50e-06  370 6.29e-05 1.99e-05 8.24e-06 1.50e-06 
+     74 1 1.69e-06  370 4.13e-05 1.89e-05 2.72e-06 1.69e-06 
+     75 1 1.65e-06  370 1.08e-05 6.67e-05 3.34e-06 1.65e-06 
+     76 1 1.77e-06  370 6.89e-05 4.68e-05 6.74e-06 1.77e-06 
+     77 1 1.61e-06  370 5.92e-05 2.16e-05 5.38e-06 1.61e-06 
+     78 1 1.67e-06  370 1.29e-05 4.70e-05 2.19e-06 1.67e-06 
+     79 1 1.47e-06  370 2.46e-05 6.81e-06 3.84e-06 1.47e-06 
+     80 1 1.92e-06  370 4.99e-05 6.90e-05 2.73e-06 1.92e-06 
+     81 1 1.84e-06  370 8.07e-05 8.04e-05 6.25e-06 1.84e-06 
+     82 1 1.93e-06  370 1.34e-05 8.70e-05 7.04e-06 1.93e-06 
+     83 1 1.88e-06  370 7.14e-05 2.78e-05 6.25e-06 1.88e-06 
+     84 1 1.72e-06  370 5.30e-05 4.63e-05 5.07e-06 1.72e-06 
+     85 1 1.93e-06  370 4.19e-05 2.14e-05 2.89e-06 1.93e-06 
+     86 1 1.38e-06  370 9.73e-05 1.87e-05 6.32e-06 1.38e-06 
+     87 1 1.44e-06  370 6.31e-06 5.18e-05 3.26e-06 1.44e-06 
+     88 1 1.41e-06  370 5.45e-05 8.61e-05 4.00e-06 1.41e-06 
+     89 1 1.86e-06  370 5.12e-05 8.86e-05 3.72e-06 1.86e-06 
+     90 1 1.49e-06  370 1.68e-06 5.93e-05 2.25e-06 1.49e-06 
+     91 1 1.90e-06  370 8.73e-05 6.31e-05 7.27e-06 1.90e-06 
+     92 1 1.37e-06  370 8.35e-05 7.09e-05 4.94e-06 1.37e-06 
+     93 1 1.74e-06  370 8.01e-05 8.46e-05 2.05e-06 1.74e-06 
+     94 1 1.68e-06  370 8.31e-05 1.05e-05 6.33e-06 1.68e-06 
+     95 1 1.45e-06  370 7.04e-05 4.82e-05 8.33e-06 1.45e-06 
+     96 1 1.87e-06  370 3.87e-05 3.04e-05 3.07e-06 1.87e-06 
+     97 1 1.39e-06  370 3.49e-05 2.34e-05 7.41e-06 1.39e-06 
+
+ Nutrients 
+
+     1 sub g nn nn nn 1.00e-01 1.00e-01 
+     2 o2 l nn nn nn 9.00e-03 9.00e-03 
+     3 suc l nn nn nn 3.42e-20 3.42e-20 
+     4 co2 l nn nn nn 4.40e+01 4.40e+01 
+
+ Type Name 
+
+     1 cyano  
+
+ Diffusion Coeffs 
+
+     sub 0 
+     o2 2.3e-09 
+     suc 5.2e-10 
+     co2 1.9e-09 
+
+ Growth Rate 
+
+     cyano 1.67e-05 
+
+ Ks 
+
+     cyano 0.00035 0.0002 0.01 0.000138 
+
+ Yield 
+
+     cyano 0.55 
+
+ Maintenance 
+
+     cyano 0 
+
+ Decay 
+
+     cyano 0 
+
+
+
diff --git a/examples/cyanobacteria-sucrose/dump.h5 b/examples/cyanobacteria-sucrose/dump.h5
new file mode 100755
index 000000000..dabccdc3a
Binary files /dev/null and b/examples/cyanobacteria-sucrose/dump.h5 differ
diff --git a/examples/cyanobacteria-sucrose/log.lammps b/examples/cyanobacteria-sucrose/log.lammps
new file mode 100755
index 000000000..7ffab9db8
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/log.lammps
@@ -0,0 +1,328 @@
+LAMMPS (20 Nov 2019)
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * *
+
+comm_modify	vel yes
+read_data_bio atom_1_1.in
+  orthogonal box = (0 0 0) to (0.0001 0.0001 1e-05)
+  3 by 4 by 1 MPI processor grid
+  reading atoms ...
+  97 atoms
+  4 nutrients
+
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+Lattice spacing in x,y,z = 100 100 100
+region reg block 0 1000 0 1000 0 100
+
+group CYANO type 1
+97 atoms in group CYANO
+group ECW type 2
+0 atoms in group ECW
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  1e-05
+
+variable kanc equal 50
+
+#fix zwa all walladh v_kanc zplane  0.0  1e-04
+
+variable ke equal 5e+10
+#fix j1 all epsadh 1 v_ke 1
+fix gr all gravity 1 vector 0 0 -1
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia1 equal 1.96e-6
+variable divDia2 equal 1.04e-6
+
+#variable used for sucrose export
+#variable sucRatio index 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 50 50 5 v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp 1
+fix g1 all kinetics/diffusion v_tol
+fix d1 CYANO divide 100 v_EPSdens v_divDia1 64564
+fix d2 ECW divide 100 v_EPSdens v_divDia2 15384
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 1000 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 1000 v_light <= 1e-19
+
+##############Simulation Output##############
+
+dump		id all custom 360 output.lammmps id type diameter x y z
+dump        du1 all bio/hdf5 60 dump.h5 id type radius x y z con
+dump            du3 all bio 360 ntypes biomass avg_con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		360
+thermo_modify	lost ignore
+
+run 36000
+Model is defined as a closed system. 
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 5000, page size: 100000
+  master list distance cutoff = 2.43e-06
+  ghost atom cutoff = 2.43e-06
+  binsize = 1.215e-06, bins = 83 83 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 6.817 | 9.351 | 11.88 Mbytes
+Step CPU Atoms c_myNtypes[1] c_myMass[1] c_myCon[1] c_myCon[2] c_myCon[3] c_myCon[4] 
+       0            0       97           97 8.5360534e-14          0.1        0.009     3.42e-20           44 
+number of iterations: 324907 
+number of iterations: 3860 
+number of iterations: 2500 
+     360    30.803829       97           97 8.8815431e-14          0.1   0.28691234   0.20511583    43.615661 
+number of iterations: 2059 
+number of iterations: 1767 
+number of iterations: 1553 
+number of iterations: 1390 
+     720    32.247096      102          102 9.3640453e-14          0.1   0.67503727   0.48856072    43.078909 
+number of iterations: 1256 
+number of iterations: 1149 
+number of iterations: 1062 
+    1080    33.502109      105          105 9.7430473e-14          0.1   0.97994118   0.71119994    42.657299 
+number of iterations: 990 
+number of iterations: 929 
+number of iterations: 869 
+number of iterations: 824 
+    1440    34.587131      112          112 1.0272352e-13          0.1    1.4057836    1.0221318    42.068495 
+number of iterations: 784 
+number of iterations: 750 
+number of iterations: 720 
+number of iterations: 694 
+    1800    35.628986      116          116 1.0830411e-13          0.1     1.854781    1.3499569    41.447711 
+number of iterations: 670 
+number of iterations: 650 
+number of iterations: 636 
+    2160    36.578657      119          119 1.1268763e-13          0.1     2.207476    1.6074622    40.960095 
+number of iterations: 623 
+number of iterations: 610 
+number of iterations: 599 
+number of iterations: 589 
+    2520    37.509709      123          123 1.1880954e-13          0.1    2.7000559    1.9670899    40.279093 
+number of iterations: 579 
+number of iterations: 569 
+number of iterations: 561 
+    2880    38.391979      126          126 1.2361826e-13          0.1     3.086985    2.2495759    39.744174 
+number of iterations: 553 
+number of iterations: 549 
+number of iterations: 541 
+number of iterations: 535 
+    3240    39.319115      134          134 1.3033399e-13          0.1    3.6273806    2.6440911    38.997118 
+number of iterations: 528 
+number of iterations: 522 
+number of iterations: 507 
+number of iterations: 506 
+    3600    40.311896      143          143 1.3741457e-13          0.1    4.1971513    3.0600407    38.209482 
+number of iterations: 501 
+number of iterations: 497 
+number of iterations: 493 
+    3960    41.216882      146          146 1.429763e-13          0.1    4.6447109    3.3867662    37.590805 
+number of iterations: 488 
+number of iterations: 484 
+number of iterations: 481 
+number of iterations: 477 
+    4320    42.195888      148          148 1.5074369e-13          0.1    5.2697735    3.8430633    36.726784 
+number of iterations: 473 
+number of iterations: 470 
+number of iterations: 467 
+    4680    43.055164      152          152 1.5684491e-13          0.1    5.7607643    4.2014821    36.048109 
+number of iterations: 464 
+number of iterations: 461 
+number of iterations: 450 
+number of iterations: 447 
+    5040    44.077344      155          155 1.6536572e-13          0.1    6.4464794    4.7020413    35.100299 
+number of iterations: 444 
+number of iterations: 441 
+number of iterations: 439 
+number of iterations: 436 
+    5400    45.087683      156          156 1.7434943e-13          0.1    7.1694558    5.2297947     34.10101 
+number of iterations: 434 
+number of iterations: 431 
+number of iterations: 429 
+    5760    45.916421      165          165 1.8140608e-13          0.1    7.7373614    5.6443418    33.316085 
+number of iterations: 425 
+number of iterations: 419 
+number of iterations: 417 
+number of iterations: 419 
+    6120    46.867319      180          180 1.912612e-13          0.1    8.5304943    6.2232891    32.219886 
+number of iterations: 417 
+number of iterations: 415 
+number of iterations: 409 
+    6480    47.728032      193          193 1.9900233e-13          0.1    9.1535046    6.6780484    31.358843 
+number of iterations: 407 
+number of iterations: 406 
+number of iterations: 403 
+number of iterations: 403 
+    6840    48.665817      208          208 2.098134e-13          0.1    10.023609    7.3131554    30.156347 
+number of iterations: 401 
+number of iterations: 399 
+number of iterations: 398 
+number of iterations: 396 
+    7200     49.57967      222          222 2.2121178e-13          0.1    10.940989    7.9827637    28.888556 
+number of iterations: 394 
+number of iterations: 393 
+number of iterations: 391 
+    7560    50.432407      227          227 2.3016513e-13          0.1    11.661595    8.5087358    27.892732 
+number of iterations: 390 
+number of iterations: 389 
+number of iterations: 385 
+number of iterations: 386 
+    7920    51.357927      246          246 2.4266915e-13          0.1    12.667992    9.2432962    26.502005 
+number of iterations: 385 
+number of iterations: 384 
+number of iterations: 383 
+    8280    52.299495      256          256 2.5249096e-13          0.1    13.458518    9.8202884    25.409618 
+number of iterations: 381 
+number of iterations: 380 
+number of iterations: 383 
+number of iterations: 382 
+    8640    53.214274      270          270 2.6620785e-13          0.1    14.562549    10.626101    23.884052 
+number of iterations: 380 
+number of iterations: 379 
+number of iterations: 376 
+number of iterations: 375 
+    9000    54.122474      289          289 2.8066991e-13          0.1    15.726556    11.475688    22.275648 
+number of iterations: 373 
+number of iterations: 372 
+number of iterations: 371 
+    9360    54.992831      297          297 2.9202976e-13          0.1    16.640885    12.143035    21.012274 
+number of iterations: 370 
+number of iterations: 369 
+number of iterations: 369 
+number of iterations: 368 
+    9720    56.006976      303          303 3.0789462e-13          0.1    17.917821    13.075034    19.247917 
+number of iterations: 362 
+number of iterations: 360 
+number of iterations: 360 
+   10080    56.937826      312          312 3.2035635e-13          0.1    18.920849    13.807113    17.862074 
+number of iterations: 361 
+number of iterations: 366 
+number of iterations: 365 
+number of iterations: 364 
+   10440    57.880014      320          320 3.3776006e-13          0.1    20.321649    14.829512    15.926721 
+number of iterations: 364 
+number of iterations: 363 
+number of iterations: 365 
+number of iterations: 363 
+   10800    58.883644      336          336 3.5610922e-13          0.1    21.798543    15.907452    13.886337 
+number of iterations: 362 
+number of iterations: 363 
+number of iterations: 361 
+   11160    59.787819      356          356 3.7052234e-13          0.1    22.958633    16.754166    12.283696 
+number of iterations: 363 
+number of iterations: 378 
+number of iterations: 396 
+number of iterations: 412 
+   11520    60.761103      374          374 3.9065128e-13          0.1    24.578788    17.936663    10.045578 
+number of iterations: 433 
+number of iterations: 453 
+number of iterations: 474 
+   11880    61.744475      398          398 4.0646237e-13          0.1    25.851392    18.865501    8.2876382 
+number of iterations: 497 
+number of iterations: 525 
+number of iterations: 553 
+number of iterations: 583 
+   12240    62.780565      421          421 4.285436e-13          0.1    27.628681    20.162687    5.8326696 
+number of iterations: 618 
+number of iterations: 659 
+number of iterations: 708 
+number of iterations: 774 
+   12600    63.907819      452          452 4.5182408e-13          0.1    29.502504    21.530325    3.2445288 
+number of iterations: 859 
+number of iterations: 1030 
+number of iterations: 1318 
+   12960    65.014094      475          475 4.7010981e-13          0.1    30.974329    22.604562    1.2118299 
+number of iterations: 1768 
+number of iterations: 2713 
+number of iterations: 51903 
+number of iterations: 51945 
+   13320    74.553531      484          484 4.763667e-13          0.1      32.0183    23.365894        1e-20 
+number of iterations: 51964 
+number of iterations: 51957 
+number of iterations: 51920 
+   13680    87.581054      484          484 4.763667e-13          0.1      32.0183    23.365894        1e-20 
+number of iterations: 51876 
+number of iterations: 51901 
+number of iterations: 51914 
+number of iterations: 51892 
+Fix halt 10 condition met on step 14000 with value 1e-20 (../fix_halt.cpp:203)
+Loop time of 115.077 on 12 procs for 14000 steps with 484 atoms
+
+Performance: 105112413.438 tau/day, 121.658 timesteps/s
+69.0% CPU use with 12 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.014437   | 0.017013   | 0.020738   |   1.5 |  0.01
+Neigh   | 0.0035317  | 0.0043495  | 0.005283   |   0.9 |  0.00
+Comm    | 0.029992   | 0.14919    | 0.32894    |  22.1 |  0.13
+Output  | 28.126     | 28.25      | 28.307     |   0.9 | 24.55
+Modify  | 86.389     | 86.402     | 86.428     |   0.1 | 75.08
+Other   |            | 0.2548     |            |       |  0.22
+
+Nlocal:    40.3333 ave 63 max 20 min
+Histogram: 3 1 1 1 0 0 1 3 1 1
+Nghost:    8.16667 ave 20 max 1 min
+Histogram: 3 2 0 2 2 0 0 1 1 1
+Neighs:    18.75 ave 35 max 4 min
+Histogram: 1 2 2 1 1 0 0 3 1 1
+
+Total # of neighbors = 225
+Ave neighs/atom = 0.464876
+Neighbor list builds = 193
+Dangerous builds = 0
+Total wall time: 0:01:55
diff --git a/examples/cyanobacteria-sucrose/output.lammmps b/examples/cyanobacteria-sucrose/output.lammmps
new file mode 100755
index 000000000..ca99dd14b
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/output.lammmps
@@ -0,0 +1,9650 @@
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+0
+ITEM: NUMBER OF ATOMS
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+330 1 1.73649e-06 7.12096e-05 3.31802e-05 8.14786e-06 
+41 1 1.59351e-06 8.47715e-05 3.97194e-05 8.20011e-06 
+385 1 1.64771e-06 6.94597e-05 4.58284e-05 8.16334e-06 
+146 1 1.85248e-06 8.87461e-05 6.34342e-05 9.22818e-07 
+284 1 1.93376e-06 8.7929e-05 6.63549e-05 9.63957e-07 
+91 1 1.71545e-06 8.67383e-05 6.06897e-05 8.64327e-07 
+350 1 1.71188e-06 8.48122e-05 6.36624e-05 1.16861e-06 
+480 1 1.58712e-06 6.65475e-05 5.15608e-05 1.61042e-06 
+201 1 1.53241e-06 7.44409e-05 5.8845e-05 1.70438e-06 
+244 1 1.90235e-06 7.2432e-05 6.01838e-05 1.79342e-06 
+180 1 1.61599e-06 8.70497e-05 6.42134e-05 1.70517e-06 
+286 1 1.48173e-06 9.2424e-05 6.46981e-05 1.61016e-06 
+295 1 1.84786e-06 8.96652e-05 6.68356e-05 1.53845e-06 
+432 1 1.64564e-06 6.90977e-05 7.12528e-05 2.39273e-06 
+34 1 1.65905e-06 7.55648e-05 5.82725e-05 2.67329e-06 
+474 1 1.65511e-06 9.35194e-05 6.49383e-05 2.69905e-06 
+443 1 1.54473e-06 7.28593e-05 5.56366e-05 3.44851e-06 
+179 1 1.76067e-06 8.87108e-05 6.24275e-05 2.91325e-06 
+475 1 1.53185e-06 9.03368e-05 6.4581e-05 3.07867e-06 
+27 1 1.82353e-06 9.02993e-05 6.80734e-05 3.0587e-06 
+4 1 1.75066e-06 7.33422e-05 7.13297e-05 3.1599e-06 
+314 1 1.80206e-06 8.70667e-05 6.27008e-05 3.59205e-06 
+21 1 1.90254e-06 8.78871e-05 6.6575e-05 3.17238e-06 
+307 1 1.805e-06 6.78103e-05 6.79408e-05 3.54911e-06 
+259 1 1.82233e-06 8.27345e-05 7.17801e-05 3.62567e-06 
+420 1 1.61725e-06 6.84545e-05 5.69925e-05 4.22406e-06 
+245 1 1.86635e-06 6.73827e-05 5.95711e-05 3.96587e-06 
+231 1 1.93719e-06 8.72455e-05 6.08175e-05 3.52859e-06 
+276 1 1.86032e-06 9.00662e-05 6.31142e-05 3.9242e-06 
+151 1 1.71137e-06 7.67864e-05 7.34251e-05 4.08639e-06 
+289 1 1.90247e-06 7.22641e-05 5.25777e-05 4.82857e-06 
+30 1 1.8725e-06 9.50914e-05 6.17414e-05 4.60021e-06 
+142 1 1.75217e-06 9.19317e-05 6.44076e-05 4.26996e-06 
+92 1 1.54439e-06 8.46844e-05 6.95685e-05 4.68344e-06 
+220 1 1.47071e-06 6.70551e-05 5.02622e-05 5.51722e-06 
+38 1 1.82972e-06 7.54935e-05 5.43169e-05 5.39731e-06 
+396 1 1.75256e-06 7.52196e-05 5.93048e-05 5.05034e-06 
+465 1 1.52179e-06 7.30405e-05 7.07876e-05 5.23931e-06 
+397 1 1.6309e-06 7.37203e-05 5.85389e-05 5.32089e-06 
+7 1 1.62869e-06 8.87037e-05 5.89438e-05 5.79574e-06 
+14 1 1.83723e-06 6.64939e-05 5.92525e-05 5.58411e-06 
+173 1 1.56889e-06 6.8155e-05 7.11135e-05 5.98231e-06 
+274 1 1.94591e-06 9.37937e-05 6.12693e-05 5.91856e-06 
+104 1 1.75782e-06 8.62493e-05 6.34902e-05 5.96704e-06 
+336 1 1.81527e-06 7.69381e-05 5.60154e-05 6.8773e-06 
+386 1 1.54059e-06 8.90251e-05 6.25294e-05 6.70179e-06 
+351 1 1.71125e-06 7.43845e-05 7.34477e-05 6.92393e-06 
+152 1 1.62569e-06 7.33499e-05 5.64169e-05 7.70742e-06 
+292 1 1.85496e-06 9.67746e-05 6.39439e-05 7.64733e-06 
+269 1 1.546e-06 6.80417e-05 6.06972e-05 6.62487e-06 
+425 1 1.59449e-06 9.09807e-05 5.96817e-05 8.17503e-06 
+143 1 1.83164e-06 9.35184e-05 6.04887e-05 8.21125e-06 
+119 1 1.66736e-06 7.35032e-05 6.08312e-05 8.13323e-06 
+433 1 1.66485e-06 8.39905e-05 7.03036e-05 8.08608e-06 
+285 1 1.63571e-06 7.07248e-05 7.16124e-05 8.02189e-06 
+484 1 1.57503e-06 6.79118e-05 5.84419e-05 8.1326e-06 
+50 1 1.7474e-06 7.45634e-05 7.94964e-05 1.85558e-06 
+23 1 1.61018e-06 8.62265e-05 8.25842e-05 1.85107e-06 
+128 1 1.8731e-06 8.13795e-05 8.38397e-05 1.33905e-06 
+254 1 1.83998e-06 7.77833e-05 8.6512e-05 1.31427e-06 
+260 1 1.63121e-06 8.0667e-05 9.80914e-05 1.9086e-06 
+93 1 1.62413e-06 8.01738e-05 8.27427e-05 2.18214e-06 
+253 1 1.84866e-06 8.66977e-05 8.5471e-05 2.34869e-06 
+466 1 1.51881e-06 7.85785e-05 9.66782e-05 2.32201e-06 
+81 1 1.72174e-06 7.85769e-05 7.69357e-05 2.58452e-06 
+451 1 1.63229e-06 7.80245e-05 8.78165e-05 2.48459e-06 
+434 1 1.61006e-06 8.38228e-05 8.26069e-05 3.34921e-06 
+187 1 1.70741e-06 7.62383e-05 8.35684e-05 3.27811e-06 
+255 1 1.60782e-06 8.09157e-05 8.37602e-05 3.20368e-06 
+232 1 1.93624e-06 7.63076e-05 7.87984e-05 3.91353e-06 
+421 1 1.62075e-06 7.83954e-05 8.58802e-05 3.88791e-06 
+270 1 1.9523e-06 7.39234e-05 8.71303e-05 3.53502e-06 
+2 1 1.84102e-06 7.6205e-05 8.88271e-05 3.52251e-06 
+317 1 1.80649e-06 6.93257e-05 9.48336e-05 3.53005e-06 
+126 1 1.49632e-06 7.86481e-05 7.61455e-05 4.11122e-06 
+221 1 1.89625e-06 9.32774e-05 7.84275e-05 4.27759e-06 
+340 1 1.71745e-06 7.95533e-05 8.03583e-05 4.01565e-06 
+207 1 1.93539e-06 8.13486e-05 8.11798e-05 3.82333e-06 
+325 1 1.73103e-06 7.60504e-05 8.16227e-05 4.34992e-06 
+444 1 1.58168e-06 7.80732e-05 9.45515e-05 4.44544e-06 
+153 1 1.73741e-06 7.23746e-05 9.64599e-05 3.94382e-06 
+18 1 1.87023e-06 7.91034e-05 9.77447e-05 4.78684e-06 
+246 1 1.89716e-06 7.63511e-05 9.82115e-05 4.52865e-06 
+387 1 1.67754e-06 8.08346e-05 7.95626e-05 4.82949e-06 
+46 1 1.68542e-06 8.24378e-05 7.58276e-05 5.69357e-06 
+450 1 1.57406e-06 8.30026e-05 8.4153e-05 5.92495e-06 
+308 1 1.9066e-06 7.16209e-05 9.59896e-05 5.55725e-06 
+225 1 1.55617e-06 7.70706e-05 8.74662e-05 5.98373e-06 
+125 1 1.53265e-06 7.60315e-05 8.88103e-05 6.43659e-06 
+435 1 1.49399e-06 7.6626e-05 8.31156e-05 6.9285e-06 
+436 1 1.71129e-06 7.89077e-05 7.68177e-05 6.94995e-06 
+1 1 1.69662e-06 9.1561e-05 7.91022e-05 7.27413e-06 
+129 1 1.61703e-06 7.74909e-05 9.66578e-05 7.44599e-06 
+398 1 1.73306e-06 8.65764e-05 7.77268e-05 7.59887e-06 
+208 1 1.61139e-06 8.07638e-05 8.15922e-05 7.51392e-06 
+303 1 1.91746e-06 8.10239e-05 7.56834e-05 8.04304e-06 
+356 1 1.70558e-06 9.46722e-05 7.76319e-05 8.14847e-06 
+261 1 1.90411e-06 7.90149e-05 7.82575e-05 8.07044e-06 
+160 1 1.55207e-06 8.29963e-05 7.81274e-05 8.26231e-06 
+12 1 1.94732e-06 7.6401e-05 8.01802e-05 8.13152e-06 
+115 1 1.63636e-06 7.8677e-05 8.00336e-05 8.176e-06 
+445 1 1.59515e-06 8.42338e-05 8.14587e-05 8.1581e-06 
+452 1 1.65219e-06 7.53368e-05 8.95463e-05 8.08382e-06 
+26 1 1.68543e-06 7.06801e-05 9.56578e-05 8.27226e-06 
diff --git a/examples/cyanobacteria-sucrose/run_1.pkl b/examples/cyanobacteria-sucrose/run_1.pkl
new file mode 100755
index 000000000..07a50f42a
Binary files /dev/null and b/examples/cyanobacteria-sucrose/run_1.pkl differ
diff --git a/examples/cyanobacteria-sucrose/slurm-template.txt b/examples/cyanobacteria-sucrose/slurm-template.txt
new file mode 100755
index 000000000..ff24dd06a
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/slurm-template.txt
@@ -0,0 +1,27 @@
+#!/bin/bash -l
+#SBATCH -J ${job}
+#SBATCH -p batch
+#SBATCH --nodes 1
+#SBATCH --ntasks-per-node 32
+#SBATCH --cpus-per-task 1
+#SBATCH --exclusive
+#SBATCH --mem=100g
+#SBATCH -A cnms
+#SBATCH -t 10:00:00
+#SBATCH --mail-type=FAIL
+#SBATCH --mail-user=${USER}@msu.edu
+
+module purge
+module load env/cades-cnms
+. $SOFTWARECNMS/spack/share/spack/setup-env.sh
+spack load openmpi/qnfab5m
+spack load vtk%gcc@8.2.0
+
+#export OMP_NUM_THREADS=1
+
+export LAMMPS=/lustre/or-hydra/cades-cnms/12x/NUFEB/lammps/src/lmp_mpi
+
+ldd $LAMMPS
+
+mpirun -np 32 $LAMMPS -in Inputscript_${n}.lammps
+tar -zcf Run_${n}.tar.gz Run_${n}_* run_${n}.pkl atom_${n}_${Reps}.in Inputscript_${n}.lammps
diff --git a/examples/cyanobacteria-sucrose/slurmRun.sh b/examples/cyanobacteria-sucrose/slurmRun.sh
new file mode 100755
index 000000000..797ac69a5
--- /dev/null
+++ b/examples/cyanobacteria-sucrose/slurmRun.sh
@@ -0,0 +1,3 @@
+for f in Inputscript_*.slurm; do
+sbatch $f;
+done
diff --git a/examples/pressure-growth/Allclean.sh b/examples/pressure-growth/Allclean.sh
deleted file mode 100755
index 768acbd26..000000000
--- a/examples/pressure-growth/Allclean.sh
+++ /dev/null
@@ -1,8 +0,0 @@
-rm snapshot_*
-rm grid_*
-rm dump_*
-rm atom_*
-rm slurm-*
-rm -rf Results
-rm output.lammps
-rm log.lammps
diff --git a/examples/pressure-growth/Inputscript.lammps b/examples/pressure-growth/Inputscript.lammps
deleted file mode 100644
index e321e3b4f..000000000
--- a/examples/pressure-growth/Inputscript.lammps
+++ /dev/null
@@ -1,98 +0,0 @@
-# NUFEB simulation
-
-units           si
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	ff ff ff
-newton		off
-processors  * * 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-lattice sc 1.25e-6 origin 0.5 0.5 0.5
-region reg1 block 0 8 0 4 0 1
-create_atoms 1 region reg1
-set type 1 density 290
-set type 1 diameter 1.0e-6
-set type 1 mass 1.52e-16 
-lattice sc 1e-6 origin 0.5 0.5 0.5
-region reg2 block 0 5 0 5 2 5
-create_atoms 3 region reg2
-set type 3 density 290
-set type 3 diameter 1.0e-6
-set type 3 mass 1.52e-16 
-
-group HET type 1
-group EPS type 2
-group FIX type 3
-group INE type 4
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 10
-
-fix 1 all nve/limit 1e-7
-fix fv all viscous 1e-5
-
-fix xw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 xplane 0 1e-5
-fix yw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 yplane 0 0.5e-5
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane 0 0.8e-5
-
-fix fr FIX freeze
-
-##############Define IBm Variables##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 30
-variable EPSratio equal 1.3
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-
-#variables used in fix kinetics 
-variable diffT equal 1e-6
-variable tol equal 1e-6
-variable layer equal -1
-
-#variables used in fix death
-variable deadDia equal 9e-7
-
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 100 10 5 8 v_diffT v_layer niter 5000
-fix kgm all kinetics/growth/monod epsdens 30
-fix g1 all kinetics/diffusion v_tol dcflag 2
-fix d1 all divide 100 v_EPSdens v_divDia 64564
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 53453
-fix p1 HET kinetics/pressure 4 INE NULL 25
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-compute myHeight all avg_height
-compute myRough all roughness
-
-##############Simulation Output##############
-
-dump		id all custom 100 output.lammps id type radius x y z
-dump		du1 all vtk 1000 atom_*.vtu id type diameter x y z
-dump		du2 all grid 1000 grid_%_*.vti con
-dump            du3 all bio 1000 avg_height roughness
-thermo_style    custom step cpu atoms c_myNtypes[*]
-thermo		100
-thermo_modify	lost ignore
-
-
-run 5000
-
-delete_atoms group FIX
-
-run 2000
diff --git a/examples/pressure-growth/atom.in b/examples/pressure-growth/atom.in
deleted file mode 100644
index 5574df431..000000000
--- a/examples/pressure-growth/atom.in
+++ /dev/null
@@ -1,66 +0,0 @@
- NUFEB Simulation 
-
-       0 atoms 
-       4 atom types 
-       2 nutrients
-
-   0   1e-05    xlo xhi 
-   0   0.5e-05  ylo yhi 
-   0   0.8e-05  zlo zhi 
-
- Atoms 
-
- Nutrients
-
-     1 sub l pp pp nd 1e-4 1e-4
-     2 o2 l pp pp nd 1e-4 1e-4
-
- Type Name
-
-     1 het1
-     2 eps
-     3 het2
-     4 dead
-
- Diffusion Coeffs
-    
-     sub 1.6e-9
-     o2  2.30e-9
-
- Ks
-     
-     het1 3.5e-5 0
-     eps  0 0 
-     het2 0 0
-     dead 0 0
-
- Growth Rate
-
-     het1 0.00028 
-     eps  0
-     het2 0
-     dead 0
-
- Yield
-    
-     het1 0.61
-     eps  0.18
-     het2 1e-20
-     dead 0
-
- Maintenance
- 
-     het1 0
-     eps  0
-     het2 0
-     dead 0
-
- Decay
-
-     het1 0
-     eps  0
-     het2 0
-     dead 0
-
-
-
diff --git a/examples/restart-example/Allclean.sh b/examples/restart-example/Allclean.sh
deleted file mode 100755
index 768acbd26..000000000
--- a/examples/restart-example/Allclean.sh
+++ /dev/null
@@ -1,8 +0,0 @@
-rm snapshot_*
-rm grid_*
-rm dump_*
-rm atom_*
-rm slurm-*
-rm -rf Results
-rm output.lammps
-rm log.lammps
diff --git a/examples/restart-example/Inputscript.lammps b/examples/restart-example/Inputscript.lammps
deleted file mode 100644
index 641b8a1c6..000000000
--- a/examples/restart-example/Inputscript.lammps
+++ /dev/null
@@ -1,79 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * * 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1
-group EPS type 2
-group DEAD type 3
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 10
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0   1.0e-04
-
-variable kanc equal 50
-
-fix zwa all walladh v_kanc zplane  0.0   1.0e-04
-
-variable ke equal 5e+10
-fix j1 all epsadh 1 v_ke 1
-
-##############Define IBm Variables##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 30
-variable EPSratio equal 1.25
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable layer equal -1
-
-#variables used in fix death
-variable deadDia equal 9e-7
-
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 100 30 12 30 v_diffT v_layer niter -1
-fix kgm all kinetics/growth/monod epsdens 30 
-fix g1 all kinetics/diffusion v_tol 
-fix d1 all divide 100 v_EPSdens v_divDia 978595
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 6274
-fix d5 all death 100 v_deadDia
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-
-##############Simulation Output##############
-
-#dump		id all custom 1000 snapshot.bubblemd id type diameter x y z
-dump		du1 all vtk 1000 atom_*.vtu id type diameter x y z
-dump		du2 all grid 1000 grid_%_*.vti con
-thermo_style    custom step cpu atoms c_myNtypes[*] 
-thermo		100
-thermo_modify	lost ignore
-restart 40000 restart
-
-run 40000
diff --git a/examples/restart-example/Inputscript.restart.lammps b/examples/restart-example/Inputscript.restart.lammps
deleted file mode 100644
index 07cd5d964..000000000
--- a/examples/restart-example/Inputscript.restart.lammps
+++ /dev/null
@@ -1,84 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 100 5.0e-7
-boundary	ff ff ff
-newton		off
-processors  * * 1
-
-comm_modify	vel yes
-
-read_data_bio atom.restart.in 
-read_bio_restart restart.40000
-
-group HET type 1
-group EPS type 2
-group DEAD type 3
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 10
-
-fix 1 all nve/limit 1e-8
-fix fv all viscous 1e-5
-
-fix xw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 xplane  0.0   1.0e-04
-fix yw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 yplane  0.0   4.0e-05
-fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0   1.0e-04
-
-variable kanc equal 50
-
-fix xwa all walladh v_kanc xplane  0.0   1.0e-04
-fix ywa all walladh v_kanc yplane  0.0   4.0e-05
-fix zwa all walladh v_kanc zplane  0.0   1.0e-04
-
-variable ke equal 5e+10
-fix j1 all epsadh 1 v_ke 1
-
-##############Define IBm Variables##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 30
-variable EPSratio equal 1.25
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-
-#variables used in fix kinetics 
-variable diffT equal 1e-4
-variable tol equal 1e-6
-variable layer equal -1
-
-#variables used in fix death
-variable deadDia equal 9e-7
-
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 100 30 12 30 v_diffT v_layer niter -1
-fix kgm all kinetics/growth/monod epsdens 30
-fix g1 all kinetics/diffusion v_tol
-fix d1 all divide 100 v_EPSdens v_divDia 978595
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 6274
-fix d5 all death 100 v_deadDia
-
-##############Define IBm Computes##############
-
-compute myNtypes all ntypes
-
-##############Simulation Output##############
-
-#dump		id all custom 1000 snapshot.bubblemd id type diameter x y z
-#dump		du1 all vtk 1000 atom_*.vtu id type diameter x y z
-#dump		du2 all grid 1000 grid_%_*.vti con
-thermo_style    custom step cpu atoms c_myNtypes[*] 
-thermo		100
-thermo_modify	lost ignore
-
-run 2000
diff --git a/examples/restart-example/atom.in b/examples/restart-example/atom.in
deleted file mode 100644
index 6e2897b12..000000000
--- a/examples/restart-example/atom.in
+++ /dev/null
@@ -1,100 +0,0 @@
-  Granular Flow Simulation 
-
-       40 atoms 
-       3 atom types 
-       2 nutrients
-
-   0.000000e-04   1.000000e-04  xlo xhi 
-   0.000000e-04   4.000000e-05  ylo yhi 
-   0.000000e-04   1.000000e-04  zlo zhi 
-
- Atoms
-
-     1 1 1.0e-6 150 0.5e-5 0.5e-5 1e-6 1.0e-6
-     2 1 1.0e-6 150 1.5e-5 0.5e-5 1e-6 1.0e-6
-     3 1 1.0e-6 150 2.5e-5 0.5e-5 1e-6 1.0e-6
-     4 1 1.0e-6 150 3.5e-5 0.5e-5 1e-6 1.0e-6
-     5 1 1.0e-6 150 4.5e-5 0.5e-5 1e-6 1.0e-6
-     6 1 1.0e-6 150 5.5e-5 0.5e-5 1e-6 1.0e-6
-     7 1 1.0e-6 150 6.5e-5 0.5e-5 1e-6 1.0e-6
-     8 1 1.0e-6 150 7.5e-5 0.5e-5 1e-6 1.0e-6
-     9 1 1.0e-6 150 8.5e-5 0.5e-5 1e-6 1.0e-6
-     10 1 1.0e-6 150 9.5e-5 0.5e-5 1e-6 1.0e-6
-     11 1 1.0e-6 150 0.5e-5 1.5e-5 1e-6 1.0e-6
-     12 1 1.0e-6 150 1.5e-5 1.5e-5 1e-6 1.0e-6
-     13 1 1.0e-6 150 2.5e-5 1.5e-5 1e-6 1.0e-6
-     14 1 1.0e-6 150 3.5e-5 1.5e-5 1e-6 1.0e-6
-     15 1 1.0e-6 150 4.5e-5 1.5e-5 1e-6 1.0e-6
-     16 1 1.0e-6 150 5.5e-5 1.5e-5 1e-6 1.0e-6
-     17 1 1.0e-6 150 6.5e-5 1.5e-5 1e-6 1.0e-6
-     18 1 1.0e-6 150 7.5e-5 1.5e-5 1e-6 1.0e-6
-     19 1 1.0e-6 150 8.5e-5 1.5e-5 1e-6 1.0e-6
-     20 1 1.0e-6 150 9.5e-5 1.5e-5 1e-6 1.0e-6
-     21 1 1.0e-6 150 0.5e-5 2.5e-5 1e-6 1.0e-6
-     22 1 1.0e-6 150 1.5e-5 2.5e-5 1e-6 1.0e-6
-     23 1 1.0e-6 150 2.5e-5 2.5e-5 1e-6 1.0e-6
-     24 1 1.0e-6 150 3.5e-5 2.5e-5 1e-6 1.0e-6
-     25 1 1.0e-6 150 4.5e-5 2.5e-5 1e-6 1.0e-6
-     26 1 1.0e-6 150 5.5e-5 2.5e-5 1e-6 1.0e-6
-     27 1 1.0e-6 150 6.5e-5 2.5e-5 1e-6 1.0e-6
-     28 1 1.0e-6 150 7.5e-5 2.5e-5 1e-6 1.0e-6
-     29 1 1.0e-6 150 8.5e-5 2.5e-5 1e-6 1.0e-6
-     30 1 1.0e-6 150 9.5e-5 2.5e-5 1e-6 1.0e-6
-     31 1 1.0e-6 150 0.5e-5 3.5e-5 1e-6 1.0e-6
-     32 1 1.0e-6 150 1.5e-5 3.5e-5 1e-6 1.0e-6
-     33 1 1.0e-6 150 2.5e-5 3.5e-5 1e-6 1.0e-6
-     34 1 1.0e-6 150 3.5e-5 3.5e-5 1e-6 1.0e-6
-     35 1 1.0e-6 150 4.5e-5 3.5e-5 1e-6 1.0e-6
-     36 1 1.0e-6 150 5.5e-5 3.5e-5 1e-6 1.0e-6
-     37 1 1.0e-6 150 6.5e-5 3.5e-5 1e-6 1.0e-6
-     38 1 1.0e-6 150 7.5e-5 3.5e-5 1e-6 1.0e-6
-     39 1 1.0e-6 150 8.5e-5 3.5e-5 1e-6 1.0e-6
-     40 1 1.0e-6 150 9.5e-5 3.5e-5 1e-6 1.0e-6
-
- Nutrients
-
-     1 sub l pp pp nd 1e-4 1e-4
-     2 o2 l pp pp nd 1e-4 1e-4
-
- Diffusion Coeffs
-    
-     sub 1.6e-9
-     o2 0
-
- Type Name
-
-     1 het
-     2 eps
-     3 dead
-
- Ks
-     
-     het 3.5e-5 0 
-     eps 0 0 
-     dead 0 0
-
-Growth Rate
-
-     het 0.000277778
-     eps 0
-     dead 0
-
- Yield
-    
-     het 0.61
-     eps 0.18
-     dead 0
-
- Maintenance
- 
-     het 0
-     eps 0
-     dead 0
-
- Decay
-
-     het 0.000003694
-     eps 0.00000196759
-     dead 0
-
-
diff --git a/examples/restart-example/atom.restart.in b/examples/restart-example/atom.restart.in
deleted file mode 100644
index afd3ce7a7..000000000
--- a/examples/restart-example/atom.restart.in
+++ /dev/null
@@ -1,60 +0,0 @@
-  Granular Flow Simulation 
-
-       0 atoms 
-       3 atom types 
-       2 nutrients
-
-   0.000000e-04   1.000000e-04  xlo xhi 
-   0.000000e-04   4.000000e-05  ylo yhi 
-   0.000000e-04   1.000000e-04  zlo zhi 
-
- Atoms
-
-
- Nutrients
-
-     1 sub l pp pp nd 1e-4 1e-4
-     2 o2 l pp pp nd 1e-4 1e-4
-
- Diffusion Coeffs
-    
-     sub 1.6e-9
-     o2 0
-
- Type Name
-
-     1 het
-     2 eps
-     3 dead
-
- Ks
-     
-     het 3.5e-5 0
-     eps 0 0
-     dead 0 0
-
-Growth Rate
-
-     het 0.000277778
-     eps 0
-     dead 0
-
- Yield
-    
-     het 0.61
-     eps 0.18
-     dead 0
-
- Maintenance
- 
-     het 0
-     eps 0
-     dead 0
-
- Decay
-
-     het 0.000003694
-     eps 0.00000196759
-     dead 0
-
-
diff --git a/examples/shear-detach/Allclean.sh b/examples/shear-detach/Allclean.sh
deleted file mode 100755
index 768acbd26..000000000
--- a/examples/shear-detach/Allclean.sh
+++ /dev/null
@@ -1,8 +0,0 @@
-rm snapshot_*
-rm grid_*
-rm dump_*
-rm atom_*
-rm slurm-*
-rm -rf Results
-rm output.lammps
-rm log.lammps
diff --git a/examples/shear-detach/Inputscript.lammps b/examples/shear-detach/Inputscript.lammps
deleted file mode 100644
index 12df27d8a..000000000
--- a/examples/shear-detach/Inputscript.lammps
+++ /dev/null
@@ -1,100 +0,0 @@
-# NUFEB simulation
-
-atom_style	bio
-atom_modify	map array sort 1000 5.0e-7
-boundary	pp pp ff
-newton		off
-processors  * 1 1
-
-comm_modify	vel yes
-read_data_bio atom.in
-
-group HET type 1
-group EPS type 2
-
-neighbor	5e-7 bin
-neigh_modify	delay 0 one 5000
-
-##############Define DEM Variables&Commands##############
-
-pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
-pair_coeff  * *
-
-timestep 10           
-
-fix 1 all nve/limit 1e-8 
-fix 10 all viscous 1.e-5
-
-fix yw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.000000e-04 1.000000e-04
-
-variable kanc equal 50
-
-fix zwa all walladh v_kanc zplane  0.000000e-04 1.000000e-04
-
-variable ke equal 5e+10
-fix j1 all epsadh 1 v_ke 1
-
-##############Ibm Variable Definitions##############
-
-#variables used in fix eps_extract
-variable EPSdens equal 30
-variable EPSratio equal 1.25
-
-#variables used in fix division
-variable divDia equal 1.36e-6
-
-#variables used in fix kinetics 
-variable diffT equal 5e-4
-variable tol equal 1e-6
-variable layer equal -1
-
-#variables used in fix shear
-variable viscosity equal 0.001
-variable shearRate equal 0.2
-variable height equal 0.0
-
-##############Ibm compute##############
-
-compute myNtypes all ntypes
-compute myBiomass all biomass
-
-##############Simulation outputs##############
-
-#dump		id all custom 2000 snapshot.bubblemd id type diameter x y z
-dump		du1 all vtk 2000 atom_*.vtu id type diameter x y z
-dump		du2 all grid 2000 grid_%_*.vti con
-thermo_style    custom step cpu atoms c_myNtypes[*]
-thermo		100
-thermo_modify	lost ignore
-
-##############Define IBm Commands##############
-
-fix k1 all kinetics 100 60 12 30 v_diffT v_layer niter 5000
-fix kgm all kinetics/growth/monod epsdens 30
-fix g1 all kinetics/diffusion v_tol 
-fix d1 all divide 100 v_EPSdens v_divDia 31233
-fix e1 HET eps_extract 100 v_EPSratio v_EPSdens 12422423
-
-run 40000
-
-timestep 2.5
-
-unfix kgm
-unfix g1
-unfix d1
-unfix e1
-
-fix s1 all shear 1 v_viscosity v_shearRate v_height zx 0 800000
-
-run 200000
-
-
-
-
-
-
-
-
-
-
-
diff --git a/examples/shear-detach/atom.in b/examples/shear-detach/atom.in
deleted file mode 100644
index 4235b81b3..000000000
--- a/examples/shear-detach/atom.in
+++ /dev/null
@@ -1,61 +0,0 @@
-  Granular Flow Simulation 
-
-       5 atoms 
-       2 atom types 
-       2 nutrients
-
-   0.000000e-04   2.000000e-04  xlo xhi 
-   0.000000e-04   4.000000e-05  ylo yhi 
-   0.000000e-04   1.000000e-04  zlo zhi 
-
- Atoms
-
-     1 1 1.0e-6 150 3.0e-05 2.1e-05 0.2e-05 1.0e-6  
-     2 1 1.0e-6 150 3.1e-05 2.1e-05 0.2e-05 1.0e-6  
-     3 1 1.0e-6 150 3.0e-05 1.9e-05 0.2e-05 1.0e-6  
-     4 1 1.0e-6 150 3.1e-05 1.9e-05 0.2e-05 1.0e-6  
-     5 2 1.0e-8 150 5.1e-05 1.9e-05 0.2e-05 1.0e-8  
-
-
- Nutrients
-
-     1 sub l pp pp nd 1e-4 1e-4
-     2 o2 l pp pp nd 1e-4 1e-4
-
- Type Name
-
-     1 het
-     2 eps
-
- Diffusion Coeffs
-    
-     sub 1.6e-9
-     o2 2.30e-9
-
- Ks
-     
-     het 3.5e-5 0
-     eps 0 0 
-
- Growth Rate
-
-     het 0.00028 
-     eps 0
-
- Yield
-    
-     het 0.61
-     eps 0.18
-
- Maintenance
- 
-     het 0
-     eps 0
-
- Decay
-
-     het 0
-     eps 0
-
-
-
diff --git a/examples/shear-detach/visual/PvrCuboid20x4x10.m b/examples/shear-detach/visual/PvrCuboid20x4x10.m
deleted file mode 100644
index 02d6ac581..000000000
--- a/examples/shear-detach/visual/PvrCuboid20x4x10.m
+++ /dev/null
@@ -1,71 +0,0 @@
-function [ POV_RAY ] = PvrCuboid20x4x10(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-%fprintf(fid,['location <0, 60e-2, 0>\n']);
-fprintf(fid,['location <0e-2, 90e-2, 0e-2>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-%fprintf(fid,'look_at 0\n')
-fprintf(fid,'rotate <0, 0, 20>\n', rotate);
-fprintf(fid,'}\n');
-
-fprintf(fid,'// Create simualtion box\n');
-fprintf(fid,'#declare b_x=0.1;\n');
-fprintf(fid,'#declare b_y=2e-2;\n');
-fprintf(fid,'#declare b_z=0.05;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-%fprintf(fid,'light_source{<1e-1,5e-2,5e-2> color rgb <0.77,0.75,0.75>}\n');
-%fprintf(fid,'light_source{<-1e-1,5e-2,5e-2> color rgb <0.77,0.75,0.75>}\n');
-
-fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<10e-2,80e-2,0e-2> color rgb <0.57,0.55,0.55>}\n');
-%fprintf(fid,'light_source{<-10e-2,80e-2,0e-2> color rgb <0.77,0.75,0.75>\n')
-%fprintf(fid,'spotlight\n')   
-%fprintf(fid,'radius 15\n')
-%fprintf(fid,'falloff 20\n')
-%fprintf(fid,'tightness 1\n')
-%fprintf(fid,' point_at <0,0,0>}\n')
-
-
-
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/examples/shear-detach/visual/run.sh b/examples/shear-detach/visual/run.sh
deleted file mode 100644
index 7bbcff85f..000000000
--- a/examples/shear-detach/visual/run.sh
+++ /dev/null
@@ -1,4 +0,0 @@
-#!/bin/bash
-# Matlab povray script
-
-matlab -nodisplay -nosplash -nodesktop -r "run('visualcuboid20x4x10.m');exit;"
diff --git a/examples/shear-detach/visual/visualcuboid20x4x10.m b/examples/shear-detach/visual/visualcuboid20x4x10.m
deleted file mode 100644
index 392455531..000000000
--- a/examples/shear-detach/visual/visualcuboid20x4x10.m
+++ /dev/null
@@ -1,86 +0,0 @@
-clear;
-  dump = fopen('snapshot.bubblemd','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-0.1;
-Y = C{5}*1e+3-2e-2;
-Z = C{6}*1e+3-0.05;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.6;
-        GREEN = 0.6;
-        BLUE = 0.6;
-            end 
-        
-            
-        
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrCuboid20x4x10(image, i)
-
-generate=['povray +H3000 +W3000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/install.sh b/install.sh
index da349b827..53bcb4c2a 100755
--- a/install.sh
+++ b/install.sh
@@ -20,7 +20,7 @@ cp Makefile.lammps_essential Makefile.lammps
 declare -i vtk_hdf=0
 
 for var in "$@"
-do 
+do
     if [ $var == "--enable-vtk" ] ; then
        cp Makefile.lammps_vtk8.0 Makefile.lammps
        cp ../vtk/Makefile.lammps_vtk8.0 ../vtk/Makefile.lammps
@@ -51,7 +51,7 @@ make yes-user-nufeb
 make yes-granular
 
 for var in "$@"
-do 
+do
     if [ $var == "--enable-vtk" ]; then
 	make yes-user-vtk
     elif [ $var == "--enable-misc" ]; then
@@ -71,7 +71,7 @@ write_path() {
 
 echo "Building NUFEB.."
 for var in "$@"
-do 
+do
     if [ $var == "--serial" ]; then
 	cd STUBS || exit 1
         make
@@ -83,7 +83,7 @@ do
 done
 
 for var in "$@"
-do 
+do
     if [ $var == "--static" ]; then
         make -j4 mpi mode=lib
         exit 1
@@ -91,14 +91,13 @@ do
 done
 
 for var in "$@"
-do 
+do
     if [ $var == "--shared" ]; then
         make -j4 mpi mode=shlib
         exit 1
     fi
 done
 
-make -j4 mpi
+make -j4 png
 write_path
-exit 1
-
+exit 0
diff --git a/lib/nufeb/Makefile.lammps_local_hdf5_vtk b/lib/nufeb/Makefile.lammps_local_hdf5_vtk
new file mode 100644
index 000000000..f694d1d0e
--- /dev/null
+++ b/lib/nufeb/Makefile.lammps_local_hdf5_vtk
@@ -0,0 +1,5 @@
+# Settings that the LAMMPS build will import when this package library is used
+#
+nufeb_SYSINC = -std=c++1y -DENABLE_DUMP_GRID -I-I/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/vtk-8.2.0-ubcf5v6gpa3245ipgbefjrskqgx4naxm/include/vtk-8.2 -DENABLE_DUMP_BIO_HDF5 -I../../../thirdparty/hdf5/hdf5/include
+nufeb_SYSLIB = -lhdf5 -lvtksys-8.2 -lvtklz4-8.2 -lvtkzlib-8.2 -lvtkexpat-8.2 -lvtkCommonCore-8.2 -lvtkCommonExecutionModel-8.2 -lvtkCommonMisc-8.2 -lvtkCommonMath-8.2 -lvtkCommonSystem-8.2 -lvtkCommonTransforms-8.2 -lvtkIOCore-8.2 -lvtkIOXML-8.2 -lvtkIOXMLParser-8.2 -lvtkIOLegacy-8.2 -lvtkIOParallelXML-8.2 -lvtkCommonDataModel-8.2 -lvtkParallelCore-8.2 -L/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/vtk-8.2.0-ubcf5v6gpa3245ipgbefjrskqgx4naxm/lib64 -L../../../thirdparty/hdf5/hdf5/lib
+nufeb_SYSPATH = 
diff --git a/lib/nufeb/Makefile.lammps_local_vtk b/lib/nufeb/Makefile.lammps_local_vtk
new file mode 100644
index 000000000..8dfb5b649
--- /dev/null
+++ b/lib/nufeb/Makefile.lammps_local_vtk
@@ -0,0 +1,6 @@
+# Settings that the LAMMPS build will import when this package library is used
+#
+#
+nufeb_SYSINC = -g -std=c++1y -DENABLE_DUMP_GRID -I/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/vtk-8.2.0-ubcf5v6gpa3245ipgbefjrskqgx4naxm/include/vtk-8.2 -I/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/lz4-1.9.2-c7wbxlyeuaynwhvw5lmzsakg6q5ylwlt/include -I/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/zlib-1.2.11-sh7mgsynw6uq2lkaqsv4ty5zerjfu7ww/include -I/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/expat-2.2.9-kbb7ucrwegcl3pinnutkznru5kqce73j/include
+nufeb_SYSLIB = -L/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/vtk-8.2.0-ubcf5v6gpa3245ipgbefjrskqgx4naxm/lib64 -lvtksys-8.2 -L/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/lz4-1.9.2-c7wbxlyeuaynwhvw5lmzsakg6q5ylwlt/lib -llz4 -L/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/zlib-1.2.11-sh7mgsynw6uq2lkaqsv4ty5zerjfu7ww/lib -lz -L/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/expat-2.2.9-kbb7ucrwegcl3pinnutkznru5kqce73j/lib -lexpat -lvtkCommonCore-8.2 -lvtkCommonExecutionModel-8.2 -lvtkCommonMisc-8.2 -lvtkCommonMath-8.2 -lvtkCommonSystem-8.2 -lvtkCommonTransforms-8.2 -lvtkIOCore-8.2 -lvtkIOXML-8.2 -lvtkIOXMLParser-8.2 -lvtkIOLegacy-8.2 -lvtkIOParallelXML-8.2 -lvtkCommonDataModel-8.2 -lvtkParallelCore-8.2 
+nufeb_SYSPATH =
diff --git a/lib/vtk/Makefile.lammps_local_vtk b/lib/vtk/Makefile.lammps_local_vtk
new file mode 100644
index 000000000..dac1ad902
--- /dev/null
+++ b/lib/vtk/Makefile.lammps_local_vtk
@@ -0,0 +1,6 @@
+# Settings that the LAMMPS build will import when this package library is used
+#
+#
+vtk_SYSINC = -g -DENABLE_DUMP_GRID -I/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/vtk-8.2.0-ubcf5v6gpa3245ipgbefjrskqgx4naxm/include/vtk-8.2 -I/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/lz4-1.9.2-c7wbxlyeuaynwhvw5lmzsakg6q5ylwlt/include -I/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/zlib-1.2.11-sh7mgsynw6uq2lkaqsv4ty5zerjfu7ww/include -I/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/expat-2.2.9-kbb7ucrwegcl3pinnutkznru5kqce73j/include
+vtk_SYSLIB =  -L/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/vtk-8.2.0-ubcf5v6gpa3245ipgbefjrskqgx4naxm/lib64 -lvtksys-8.2 -L/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/lz4-1.9.2-c7wbxlyeuaynwhvw5lmzsakg6q5ylwlt/lib -llz4 -L/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/zlib-1.2.11-sh7mgsynw6uq2lkaqsv4ty5zerjfu7ww/lib -lz -L/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.1.0/expat-2.2.9-kbb7ucrwegcl3pinnutkznru5kqce73j/lib -lexpat -lvtkCommonCore-8.2 -lvtkCommonExecutionModel-8.2 -lvtkCommonMisc-8.2 -lvtkCommonMath-8.2 -lvtkCommonSystem-8.2 -lvtkCommonTransforms-8.2 -lvtkIOCore-8.2 -lvtkIOXML-8.2 -lvtkIOXMLParser-8.2 -lvtkIOLegacy-8.2 -lvtkIOParallelXML-8.2 -lvtkCommonDataModel-8.2 -lvtkParallelCore-8.2
+vtk_SYSPATH =
diff --git a/localRun.sh b/localRun.sh
new file mode 100755
index 000000000..44ad8c3d4
--- /dev/null
+++ b/localRun.sh
@@ -0,0 +1,15 @@
+#!/bin/bash
+python3 ./tools/DatafedVerify.py
+retVal=$?
+if [ $retVal -eq 0 ];
+then
+cd runs
+for f in *.sh
+do
+bash "$f"
+done
+cd ..
+echo "Runs completed"
+else
+echo "Datafed is not configured properly"
+fi
diff --git a/playbook.yml b/playbook.yml
new file mode 100755
index 000000000..4201b931f
--- /dev/null
+++ b/playbook.yml
@@ -0,0 +1,71 @@
+---
+- name: install nufeb
+  hosts: localhost
+
+  pre_tasks:
+
+  -  name: Install prerequisite packages to compile nufeb
+     become: yes
+     when: ansible_distribution == 'Ubuntu'
+     apt:
+       update_cache: yes
+       pkg:
+       -  cmake
+       -  git-core
+       -  g++
+       -  openmpi-bin
+       -  openmpi-common
+       -  libopenmpi-dev
+       -  libpng-dev
+  -  name: Install OpenGL
+     become: yes
+     when: ansible_distribution == 'Ubuntu'
+     apt:
+       pkg:
+       -  libglu1-mesa-dev
+       -  freeglut3-dev
+       -  mesa-common-dev
+  - name: Clear open modules
+    when: ansible_distribution == 'CentOS'
+    shell: "module purge"
+  - name: Load modules PE-gnu
+    when: ansible_distribution == 'CentOS'
+    shell: "module load PE-gnu/3.0"
+  - name: Load cmake
+    when: ansible_distribution == 'CentOS'
+    shell: "module load cmake"
+
+  tasks:
+# todo check for vtk and hdf5 before building
+#  -  name: Check for VTK
+#     stat:
+#       path: thirdparty/vtk/vtk-build/vtk-8.00
+#     register: vtk_build
+#  -  debug:
+#       msg: "VTK is already installed"
+#     when: vtk_build.stat.exists and vtk_build.stat.isdir
+  -  name:  Install VTK
+     shell: ./install-vtk.sh
+#     when: vtk_build.stat.exists == false and vtk_build.stat.isdir == false
+     args:
+       chdir: thirdparty/
+       executable: /bin/bash
+#  -  name: Check for HDF5
+#     stat:
+#       path: thirdparty/hdf5/hdf5/
+#     register: hdf5_build
+#  -  name: Report if HDF5 exists
+#     debug:
+#       msg: "HDF5 is installed"
+#     when: hdf5_build.stat.isdir and hdf5_build.stat.exists
+
+  -  name:  Install HDF5
+     shell: ./install-hdf5.sh
+#     when: hdf5_build.stat.isdir == false and hdf5_build.stat.exists == false
+     args:
+       chdir: thirdparty/
+       executable: /bin/bash
+  -  name: Install NUFEB
+     shell: ./install.sh --enable-vtk --enable-hdf5
+     args:
+       executable: /bin/bash
diff --git a/post-processing/POVray/PvrRotate100cubic.m b/post-processing/POVray/PvrRotate100cubic.m
deleted file mode 100644
index 6b2820895..000000000
--- a/post-processing/POVray/PvrRotate100cubic.m
+++ /dev/null
@@ -1,56 +0,0 @@
-function [ POV_RAY ] = PvrRotate100cubic(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-fprintf(fid,['location <60e-2, 0, 10e-2>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-fprintf(fid,'look_at 0\n')
-%fprintf(fid,'rotate <0, 0, %i*10>\n', rotate);
-fprintf(fid,'}\n');
-fprintf(fid,'// Create simualtion domain\n');
-fprintf(fid,'#declare b_x=0.05;\n');
-fprintf(fid,'#declare b_y=0.05;\n');
-fprintf(fid,'#declare b_z=0.05;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0002, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-fprintf(fid,'light_source{<-8,-20,30> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<25,-12,12> color rgb <0.38,0.40,0.40>}\n');
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/post-processing/POVray/PvrRotate200cuboid.m b/post-processing/POVray/PvrRotate200cuboid.m
deleted file mode 100644
index a5fd1fb02..000000000
--- a/post-processing/POVray/PvrRotate200cuboid.m
+++ /dev/null
@@ -1,56 +0,0 @@
-function [ POV_RAY ] = PvrRotate200cuboid(image, rotate)
-
-%==================================
-
-
-
-% WRITE import.pov FILE FOR POVRAY
-fid=fopen('import.pov','w');
-
-fprintf(fid,'#include "shapes.inc"\n');
-
-fprintf(fid,'// Right-handed coordinate system in which the z-axis points upwards\n');
-fprintf(fid,'camera {\n');
-fprintf(fid,['location <100e-2, 0, 0>\n']);
-fprintf(fid,'sky z\n');
-fprintf(fid,'right 0.24*x*image_width/image_height\n');
-fprintf(fid,'up 0.24*y\n');
-fprintf(fid,'look_at <0, 0, 0>\n');
-fprintf(fid,'look_at 0\n')
-fprintf(fid,'rotate <0, 0, 45>\n', rotate);
-fprintf(fid,'}\n');
-fprintf(fid,'// Create simualtion domain\n');
-fprintf(fid,'#declare b_x=12e-3;\n');
-fprintf(fid,'#declare b_y=0.1;\n');
-fprintf(fid,'#declare b_z=0.1;\n');
-fprintf(fid,'object{ \n');
-fprintf(fid,['Wire_Box(, <-b_x, -b_y, -b_z>, 0.0001, 0) \n']);
-fprintf(fid,[' texture{ pigment{ color rgb<1,1,1>}}\n']);
-fprintf(fid,'}\n');
-fprintf(fid,'// White background\n');
-fprintf(fid,'background{rgb 1}\n');
-fprintf(fid,'// Two lights with slightly different colors\n');
-fprintf(fid,'light_source{<-8,-20,30> color rgb <0.77,0.75,0.75>}\n');
-fprintf(fid,'light_source{<25,-12,12> color rgb <0.38,0.40,0.40>}\n');
-fprintf(fid,'// Radius of the Voronoi cell network\n');
-fprintf(fid,'#declare r=0.05;\n');
-fprintf(fid,'// Radius of the particles\n');
-fprintf(fid,'#declare s=0.6;\n');
-fprintf(fid,'// Particles\n');
-fprintf(fid,'union{\n');
-fprintf(fid,'#include "data_p.pov"\n');
-fprintf(fid,'}\n');
-
-
-
-fclose(fid);
-
-POV_RAY=1
-
-
-end
-
-
-
-
-
diff --git a/post-processing/POVray/run.sh b/post-processing/POVray/run.sh
deleted file mode 100755
index b5d422fc7..000000000
--- a/post-processing/POVray/run.sh
+++ /dev/null
@@ -1,4 +0,0 @@
-#!/bin/bash
-# Matlab povray script
-
-matlab -nodisplay -nosplash -nodesktop -r "run('visual100cubic.m');exit;"
diff --git a/post-processing/POVray/visual100cubic.m b/post-processing/POVray/visual100cubic.m
deleted file mode 100644
index 3b774bd64..000000000
--- a/post-processing/POVray/visual100cubic.m
+++ /dev/null
@@ -1,98 +0,0 @@
-clear;
-  dump = fopen('snapshot.bubblemd','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-0.05;
-Y = C{5}*1e+3-0.05;
-Z = C{6}*1e+3-0.05;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.8;
-        GREEN = 0.2;
-        BLUE = 0.2;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.2;
-        GREEN = 0.8;
-        BLUE = 0.2;
-        end 
-        
-        if (Tp(l)==3)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-          if (Tp(l)==4)
-        RED = 0.5;
-        GREEN = 0.5;
-        BLUE = 0.5;
-        end 
-
-
-     
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrRotate100cubic(image, i)
-
-generate=['povray +H2000 +W2000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/post-processing/POVray/visual200cuboid.m b/post-processing/POVray/visual200cuboid.m
deleted file mode 100644
index b43498a40..000000000
--- a/post-processing/POVray/visual200cuboid.m
+++ /dev/null
@@ -1,131 +0,0 @@
-clear;
-  dump = fopen('snapshot.bubblemd','r');
-
-format long
-
-i=1;
-while feof(dump) == 0
-    id = fgetl(dump);
-    switch id
-        case 'ITEM: TIMESTEP'
-            timestep(i) = str2num(fgetl(dump));
-        case 'ITEM: NUMBER OF ATOMS'
-            Natoms(i) = str2num(fgetl(dump));
-        case 'ITEM: BOX BOUNDS pp pp pp'
-            x_bound(i,:) = str2num(fgetl(dump));
-            y_bound(i,:) = str2num(fgetl(dump));
-            z_bound(i,:) = str2num(fgetl(dump));
-        %case 'ITEM: ATOMS id x y z vx vy vz omegax omegay omegaz c_2_0[4] c_2_1[4] c_2_2[4] c_2_3[4] '
-         case 'ITEM: ATOMS id type diameter x y z '
-        
-           
-           C = textscan(dump,'%f %f %f %f %f %f',Natoms(i));
-           
-
-Tp = C{2};
-ID = C{1};
-D = C{3}*1e+3;
-X = C{4}*1e+3-12e-3;
-Y = C{5}*1e+3-0.1;
-Z = C{6}*1e+3-0.1;
-
-
-fid=fopen('data_p.pov','w');
-    for l=1:length(C{2})
-       
-        
-        if (Tp(l)==1)
-        RED = 0.8;
-        GREEN = 0.2;
-        BLUE = 0.2;
-        end 
-        
-         if (Tp(l)==2)
-        RED = 0.2;
-        GREEN = 0.8;
-        BLUE = 0.2;
-        end 
-        
-        if (Tp(l)==3)
-        RED = 0.2;
-        GREEN = 0.2;
-        BLUE = 0.8;
-        end 
-        
-          if (Tp(l)==4)
-        RED = 0.9;
-        GREEN = 0.5;
-        BLUE = 0.9;
-        end 
-        
-       if (Tp(l)==5)
-        RED = 0.17;
-        GREEN = 0.345;
-        BLUE = 0.5653;
-        end 
-
-       if (Tp(l)==6)
-        RED = 0.0;
-        GREEN = 0.75;
-        BLUE = 1.0;
-        end 
-        
-       if (Tp(l)==7)
-        RED = 0.85;
-        GREEN = 0.0;
-        BLUE = 0.85;
-        end       
-        
-       if (Tp(l)==8)
-        RED = 1.0
-        GREEN = 0.65;
-        BLUE = 0.0;
-        end 
-
-       if (Tp(l)==9)
-        RED = 0.5;
-        GREEN = 0.5;
-        BLUE = 0.5;
-        end 
-
-       if (Tp(l)==10)
-        RED = 0.0;
-        GREEN = 0.32;
-        BLUE = 0.76;
-        end 
-        
-fprintf(fid,['sphere{<' num2str(X(l)) ',' num2str(Y(l)) ',' num2str(Z(l)) '>,' num2str(1*D(l)/2) ' pigment {rgb <' num2str(RED) ',' num2str(GREEN) ',' num2str(BLUE) '>} finish{reflection 0.2 specular 0.3 ambient 0.42}}\n']);
-    end
-    fclose(fid);
-    j=i+1000000;   
-POV_RAY=PvrRotate200cuboid(image, i)
-
-generate=['povray +H4000 +W4000 +FJ Display=-D +O0_images/image' num2str(j) '.jpg import.pov'];
-system(generate);
-    
-    i=i+1;
-end
-
-end 
-
-
-Inputdir = './0_images/' ;  % Input dit of images
-fname=dir([Inputdir '*.jpg']); % Specify file extension
-
-wobj = VideoWriter([Inputdir 'video1.avi']); % specify video file name
-set(wobj,'FrameRate',5); % Specify frame rate
-open(wobj)
-
-
-for i=1:1:length(fname)
-    image = imread([Inputdir fname(i).name]);
-    A = image;
-    B=A(:,:,1:3);
-    writeVideo(wobj, B);
-    disp(i)
-end
-close(wobj);
-
-
-
-
diff --git a/quickrun.sh b/quickrun.sh
new file mode 100755
index 000000000..42a3f4289
--- /dev/null
+++ b/quickrun.sh
@@ -0,0 +1,12 @@
+#!/bin/bash -l
+export LAMMPS=~/NUFEB/lammps/src/lmp_png
+
+base=$PWD
+
+#run NUFEB simulations
+for dir in runs/*/
+do
+cd "$dir"
+mpirun -np 6 $LAMMPS -in *.lammps > nufeb.log
+cd "$base"
+done
diff --git a/run.sh b/run.sh
new file mode 100755
index 000000000..440a16e96
--- /dev/null
+++ b/run.sh
@@ -0,0 +1,42 @@
+#!/bin/bash -l
+export LAMMPS=~/NUFEB/lammps/src/lmp_png
+
+ldd $LAMMPS
+
+base=$PWD
+
+#run NUFEB simulations
+for dir in runs/*/
+do
+cd "$dir"
+mpirun -np 8 $LAMMPS -in *.lammps > nufeb.log
+cd "$base"
+done
+
+#check if the previous run went ok, exit if not
+if [ $? -ne 0 ]
+then
+    echo "Something went wrong while running simulations, exiting"
+    exit
+fi
+
+date
+
+#do the post-processing tasks here
+
+#create tarballs for the VTK files
+for dir in runs/*/
+do
+cd "$dir"
+tar -zcf VTK.tar.gz *.vtr *.vtu *.vti
+rm *.vtr *.vtu *.vti
+cd "$base"
+done
+
+#check if the previous run went ok, exit if not
+if [ $? -ne 0 ]
+then
+    echo "Something went wrong while creating tarballs, exiting"
+    exit
+fi
+
diff --git a/slurmRun.sh b/slurmRun.sh
new file mode 100755
index 000000000..36d90ffc3
--- /dev/null
+++ b/slurmRun.sh
@@ -0,0 +1,14 @@
+#!/bin/bash
+python3 ./tools/DatafedVerify.py
+retVal=$?
+if [ $retVal -eq 0 ];
+then
+cd runs
+for f in Inputscript_*.slurm; do
+sbatch $f;
+done
+cd ..
+echo "Runs completed"
+else
+echo "Datafed is not configured properly"
+fi
diff --git a/src/USER-NUFEB/fix_bio_kinetics_monod.cpp b/src/USER-NUFEB/fix_bio_kinetics_monod.cpp
old mode 100644
new mode 100755
index 40a8fe825..554dc697c
--- a/src/USER-NUFEB/fix_bio_kinetics_monod.cpp
+++ b/src/USER-NUFEB/fix_bio_kinetics_monod.cpp
@@ -42,7 +42,7 @@ using namespace MathConst;
 
 using namespace std;
 
-enum{HET, AOB, NOB, ANA, COM, EPS, DEAD};
+enum{HET, AOB, NOB, ANA, COM, EPS, DEAD, CYANO, ECW};
 /* ---------------------------------------------------------------------- */
 
 FixKineticsMonod::FixKineticsMonod(LAMMPS *lmp, int narg, char **arg) :
@@ -57,9 +57,11 @@ FixKineticsMonod::FixKineticsMonod(LAMMPS *lmp, int narg, char **arg) :
 
   species = NULL;
   growrate = NULL;
-  
+
   eps_dens = 30;
   eta_het = 0;
+  suc_exp = 0;
+  gco2_flag = 0;
 
   kinetics = NULL;
 
@@ -83,8 +85,18 @@ FixKineticsMonod::FixKineticsMonod(LAMMPS *lmp, int narg, char **arg) :
 	if (eta_het < 0)
 	  error->all(FLERR, "Illegal fix kinetics/growth/monod command: eta_het cannot be less than zero");
 	iarg += 2;
+    } else if (strcmp(arg[iarg], "sucexp") == 0){
+  suc_exp = force->numeric(FLERR, arg[iarg+1]);//suc_exp = input->variable->compute_equal(arg[iarg+1]);
+  if (suc_exp < 0)
+    error->all(FLERR, "Illegal fix kinetics/growth/monod command: suc_exp cannot be less than zero");
+  iarg += 2;
+    } else if (strcmp(arg[iarg], "gco2flag") == 1){
+  gco2_flag = force->numeric(FLERR, arg[iarg+1]);
+  if (gco2_flag != 0 && gco2_flag != 1)
+    error->all(FLERR, "Illegal fix kinetics/growth/monod command: gco2_flag");
+  iarg += 2;
     } else
-      error->all(FLERR, "Illegal fix kinetics/growth/monod command");
+    error->all(FLERR, "Illegal fix kinetics/growth/monod command");
   }
 }
 
@@ -184,7 +196,7 @@ void FixKineticsMonod::init_param() {
   ks = bio->ks;
   ntypes = atom->ntypes;
 
-  isub = io2 = inh4 = ino2 = ino3 = 0;
+  isub = 0; io2 = 0; inh4 = 0; ino2 = 0; ino3 = 0; isuc = 0; ico2 = 0; igco2 = 0;
 
   // initialize nutrients
   for (int nu = 1; nu <= bio->nnu; nu++) {
@@ -198,6 +210,12 @@ void FixKineticsMonod::init_param() {
       ino2 = nu;
     else if (strcmp(bio->nuname[nu], "no3") == 0)
       ino3 = nu;
+    else if (strcmp(bio->nuname[nu], "suc") == 0)
+      isuc = nu;
+    else if (strcmp(bio->nuname[nu], "co2") == 0)
+      ico2 = nu;
+    else if (strcmp(bio->nuname[nu], "gco2") == 0)
+      igco2 = nu;
   }
 
   // initialize species
@@ -240,6 +258,15 @@ void FixKineticsMonod::init_param() {
       ieps = i;
     } else if(strcmp(name, "dea") == 0 || strcmp(name, "DEA") == 0) {
       species[i] = DEAD;
+    } else if (strcmp(name, "cya") == 0 || strcmp(name, "CYA") == 0) {
+      species[i] = CYANO;
+      if (isub == 0) error->all(FLERR, "cyano growth requires nutrient 'sub' (substrate) to be defined in Nutrients section");
+      if (ico2 == 0) error->all(FLERR, "cyano growth requires nutrient 'co2' to be defined in Nutrients section");
+    } else if (strcmp(name, "ecw") == 0 || strcmp(name, "ECW") == 0) {
+      species[i] = ECW;
+      if (isuc == 0) error->all(FLERR, "E. coli W growth requires nutrient 'suc' (substrate) to be defined in Nutrients section");
+      if (io2 == 0) error->all(FLERR, "E. coli W growth requires nutrient 'o2' to be defined in Nutrients section");
+
     } else {
       species[i] = -1;
       error->warning(FLERR, "unrecognized species found in fix_kinetics/kinetics/monod:");
@@ -293,6 +320,10 @@ void FixKineticsMonod::growth(double dt, int gflag) {
 	growth_eps(i, grid);
       } else if (spec == DEAD) {
 	growth_dead(i, grid);
+      } else if (spec == CYANO) {
+	growth_cyano(i, grid);
+      } else if (spec == ECW) {
+	growth_ecw(i, grid);
       }
     }
   }
@@ -307,7 +338,7 @@ void FixKineticsMonod::growth(double dt, int gflag) {
 void FixKineticsMonod::growth_het(int i, int grid) {
   double yield_eps = 0;
   double r1, r2, r3, r4, r5, r6, r7;
-  r1 = r2 = r3 = r4 = r5 = r6 = r7 = 0;
+  r1 = 0; r2 = 0; r3 = 0; r4 = 0; r5 = 0; r6 =0; r7 = 0;
 
   if (ieps != 0) yield_eps = yield[ieps];
   //het aerobic growth rate
@@ -456,6 +487,69 @@ void FixKineticsMonod::growth_dead(int i, int grid) {
   growrate[i][0][grid] = -r1;
 }
 
+/* ----------------------------------------------------------------------
+ Monod growth model for photoautotrophic cyanobacteria
+ ------------------------------------------------------------------------- */
+void FixKineticsMonod::growth_cyano(int i, int grid) {
+  double r1, r2, r3, r4, r5;
+
+  r1 = 0; r2 = 0; r3 = 0; r4 = 0; r5 = 0;
+
+
+  //cyanobacterial growth rate based on light and co2
+  r1 = mu[i] * (nus[isub][grid] / (ks[i][isub] + nus[isub][grid])) * (nus[ico2][grid] / (ks[i][ico2] + nus[ico2][grid]));
+
+  //decay rate
+  r2 = decay[i];
+  //maintenance rate
+  r3 = maintain[i];
+  //r4 = r1 * (1 - 0.13633963365213447 * exp(-suc_exp/0.09204784828477507) - 0.8603043982051631);
+  //sucrose export-induced growth reduction
+  r4 = r1 * (0.13633963365213447 * exp(-suc_exp/0.09204784828477507) + 0.8603043982051631); 
+  r5 = r1 * (-0.3407800184487689 * exp(-suc_exp/0.04716083805871045) + 0.3497009267626362); 
+  //nutrient utilization
+  nur[isub][grid] += (-1 / yield[i]) * (r1 + r5) * xdensity[i][grid];
+  nur[ico2][grid] += (-1 / yield[i]) * (r1 + r5) * xdensity[i][grid];
+
+  nur[io2][grid] += -(0.1 * r3 * xdensity[i][grid]);
+
+  //oxygen evolution
+  nur[io2][grid] +=  (0.727 / yield[i]) * (r1 + r5) * xdensity[i][grid];
+  //sucrose export
+
+  nur[isuc][grid] += 0.65 / yield[i] * r5 * xdensity[i][grid];
+
+  //cyano overall growth rate
+  growrate[i][0][grid] = r4 - r2 - r3;
+}
+
+/* ----------------------------------------------------------------------
+ Monod growth model for heterotrophic E. coli W
+ ------------------------------------------------------------------------- */
+
+void FixKineticsMonod::growth_ecw(int i, int grid) {
+  double r1, r2, r3;
+  r1 = 0; r2 = 0; r3 = 0;
+
+  //het aerobic growth rate
+  r1 = mu[i] * (nus[isuc][grid] / (ks[i][isuc] + nus[isuc][grid])) * (nus[io2][grid] / (ks[i][io2] + nus[io2][grid]));
+
+  //decay rate
+  r2 = decay[i];
+  //maintenance rate
+  r3 = maintain[i] * (nus[io2][grid] / (ks[i][io2] + nus[io2][grid]));
+
+  //nutrient utilization
+  nur[isuc][grid] += (-1 / yield[i]) * r1 * xdensity[i][grid];
+  nur[io2][grid] += (-0.399) * (r1 + r3) * xdensity[i][grid];
+  nur[ico2][grid] += (0.2) * (r1 + r3) * xdensity[i][grid];
+
+
+  //ecw overall growth rate
+  growrate[i][0][grid] = r1 - r2 - r3;
+}
+
+
 /* ----------------------------------------------------------------------
  update particle attributes: biomass, outer mass, radius etc
  ------------------------------------------------------------------------- */
diff --git a/src/USER-NUFEB/fix_bio_kinetics_monod.h b/src/USER-NUFEB/fix_bio_kinetics_monod.h
old mode 100644
new mode 100755
index 6f6d94d0f..827d4558b
--- a/src/USER-NUFEB/fix_bio_kinetics_monod.h
+++ b/src/USER-NUFEB/fix_bio_kinetics_monod.h
@@ -52,10 +52,10 @@ class FixKineticsMonod : public Fix {
 
   double **xdensity;
 
-  int isub, io2, inh4, ino2, ino3;  // nutrient index
+  int isub, io2, inh4, ino2, ino3, isuc, ico2, igco2;  // nutrient index
   int ieps;			    // eps index
 
-  int *species;                     // species index 0 = unknow, 1 = het, 2 = aob, 3 = nob, 4 = eps, 5 = dead
+  int *species;                     // species index 0 = unknown, 1 = het, 2 = aob, 3 = nob, 4 = eps, 5 = dead, 6 = cyano, 7 = ecw
   double ***growrate;               // growth rate [type][epsflag][grid]
 
   double stepx, stepy, stepz;       // grids size
@@ -64,7 +64,8 @@ class FixKineticsMonod : public Fix {
   double vol;                       // grid volume and gas volume
   double eps_dens;                  // EPS density
   double eta_het;                   // HET reduction factor in anoxic condition
-
+  double suc_exp;                   // Sucrose export rate (0->1)
+  int gco2_flag;                    // flag for gaseous co2 dissolution
   class AtomVecBio *avec;
   class FixKinetics *kinetics;
   class BIO *bio;
@@ -79,10 +80,11 @@ class FixKineticsMonod : public Fix {
   void growth_dead(int, int);
   void growth_ana(int, int);
   void growth_com(int, int);
+  void growth_cyano(int, int);
+  void growth_ecw(int,int);
 };
 
 }
 
 #endif
 #endif
-
diff --git a/templates/Inputscript.txt b/templates/Inputscript.txt
new file mode 100755
index 000000000..e76de7f3e
--- /dev/null
+++ b/templates/Inputscript.txt
@@ -0,0 +1,100 @@
+# NUFEB simulation
+
+atom_style	bio
+atom_modify	map array sort 1000 5.0e-7
+boundary	ff ff ff
+newton		off
+processors  * * *
+
+comm_modify	vel yes
+variable reps loop ${Replicates}
+read_data_bio atom_${n_cyanos}_${n_ecw}_${SucPct}_${Replicates}.in
+shell mkdir Run_${n_cyanos}_${n_ecw}_${SucPct}_${Replicates}
+shell cd Run_${n_cyanos}_${n_ecw}_${SucPct}_${Replicates}
+##############Define initial particle distribution##############
+
+lattice sc 1e-6 origin 0 0 0
+region reg block 0 1000 0 1000 0 100
+
+${CYANOGroup}
+${ECWGroup}
+
+neighbor	5e-7 bin
+neigh_modify	delay 0 one 5000
+
+##############Define DEM Variables&Commands##############
+
+pair_style  gran/hooke/history 1.e-4 NULL 1.e-5 NULL 0.0 1
+pair_coeff  * *
+
+timestep 10
+
+fix 1 all nve/limit 1e-8
+fix fv all viscous 1e-5
+
+fix zw all wall/gran hooke/history 2000 NULL 500.0 NULL 1.5 0 zplane  0.0  ${Zheight}
+
+variable kanc equal 50
+
+variable ke equal 5e+10
+
+
+##############Define IBm Variables##############
+
+#variables used in fix eps_extract
+variable EPSdens equal 30
+variable EPSratio equal 1.3
+
+#variables used in fix division
+variable divDia1 equal 1.96e-6
+variable divDia2 equal 1.04e-6
+
+#variables used in fix kinetics
+variable diffT equal 1e-4
+variable tol equal 1e-11
+variable etaHET equal 0.6
+variable layer equal -1
+
+#variables used in fix death
+#variable deadDia equal 9e-7
+
+
+##############Define IBm Commands##############
+
+fix k1 all kinetics 100 ${GridMesh} v_diffT v_layer niter 1000000
+fix kgm all kinetics/growth/monod sucexp $SucRatio
+fix g1 all kinetics/diffusion v_tol
+${CYANODiv}
+${ECWDiv}
+#fix d2 all death 1 v_deadDia demflag 0
+
+
+##############Define IBm Computes##############
+
+compute myNtypes all ntypes
+compute myMass all biomass
+compute myCon all avg_con
+
+##############Simulation exit condition##############
+variable co2 equal c_myCon[4]
+fix 10 all halt 100 v_co2 <= 1e-19
+
+variable light equal c_myCon[1]
+fix 11 all halt 100 v_light <= 1e-19
+
+##############Simulation Output##############
+dump    id all custom 100 output.lammmps id type diameter x y z
+dump    du1 all vtk 100 atom_*.vtu id type diameter x y z
+dump    du2 all grid 100 grid_%_*.vti con
+dump    du3 all bio 100 ntypes biomass avg_con
+dump    traj all bio/hdf5 100 trajectory.h5 id type radius x y z con
+thermo_style    custom step cpu atoms c_myNtypes[*] c_myMass[*] c_myCon[*]
+thermo		100
+thermo_modify	lost ignore
+
+
+run $Timesteps
+shell cd ..
+clear
+next reps
+jump SELF
diff --git a/templates/Slurm.txt b/templates/Slurm.txt
new file mode 100755
index 000000000..b0f1b72e2
--- /dev/null
+++ b/templates/Slurm.txt
@@ -0,0 +1,30 @@
+#!/bin/bash -l
+#SBATCH -J ${job}
+#SBATCH -p batch
+#SBATCH --nodes 1
+#SBATCH --ntasks-per-node 32
+#SBATCH --cpus-per-task 1
+#SBATCH --exclusive
+#SBATCH --mem=50g
+#SBATCH -A cnms
+#SBATCH -t 10:00:00
+#SBATCH --mail-type=FAIL
+#SBATCH --mail-user=${USER}@ornl.gov
+
+module purge
+module load PE-gnu/3.0
+
+export LAMMPS=~/NUFEB/lammps/src/lmp_png
+
+ldd $LAMMPS
+
+mpirun -np 32 $LAMMPS -in Inputscript_${n_cyanos}_${n_ecw}_${SucPct}.lammps > NUFEB_${n_cyanos}_${n_ecw}_${SucPct}.log
+cd Run_${n_cyanos}_${n_ecw}_${SucPct}_${Replicates}
+tar -zcf VTK.tar.gz *.vtr *.vtu *.vti
+python3 ../../tools/Datafedcreate.py --id ${id} --n VTK --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ./VTK.tar.gz
+python3 ../../tools/Datafedcreate.py --id ${id} --n Avg_con --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ./Results/avg_concentration.csv
+python3 ../../tools/Datafedcreate.py --id ${id} --n Biomass --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ./Results/biomass.csv
+python3 ../../tools/Datafedcreate.py --id ${id} --n Ntypes --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ./Results/ntypes.csv
+python3 ../../tools/Datafedcreate.py --id ${id} --n Trajectory --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ./trajectory.h5
+python3 ../../tools/Datafedcreate.py --id ${id} --n Log --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ../NUFEB_${n_cyanos}_${n_ecw}_${SucPct}.log
+cd ..
diff --git a/templates/local.txt b/templates/local.txt
new file mode 100755
index 000000000..d1e63c68d
--- /dev/null
+++ b/templates/local.txt
@@ -0,0 +1,12 @@
+#!/bin/bash
+
+mpirun -np 8 lmp_png -in Inputscript_${n_cyanos}_${n_ecw}_${SucPct}.lammps > Inputscript_${n_cyanos}_${n_ecw}_${SucPct}.log
+cd Run_${n_cyanos}_${n_ecw}_${SucPct}_${Reps}
+tar -zcf VTK.tar.gz *.vtr *.vtu *.vti
+python3 ../../tools/Datafedcreate.py --id ${id} --n VTK --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ./VTK.tar.gz
+python3 ../../tools/Datafedcreate.py --id ${id} --n Avg_con --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ./Results/avg_concentration.csv
+python3 ../../tools/Datafedcreate.py --id ${id} --n Biomass --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ./Results/biomass.csv
+python3 ../../tools/Datafedcreate.py --id ${id} --n Ntypes --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ./Results/ntypes.csv
+python3 ../../tools/Datafedcreate.py --id ${id} --n Trajectory --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ./trajectory.h5
+python3 ../../tools/Datafedcreate.py --id ${id} --n Log --m ../run_${n_cyanos}_${n_ecw}_${SucPct}.pkl --f ../Inputscript_${n_cyanos}_${n_ecw}_${SucPct}.log
+cd ..
diff --git a/thirdparty/install-hdf5.sh b/thirdparty/install-hdf5.sh
index 16a940e24..9ef00559d 100755
--- a/thirdparty/install-hdf5.sh
+++ b/thirdparty/install-hdf5.sh
@@ -26,5 +26,5 @@ else
   fi
 fi
 
-exit 1
+exit 0
 
diff --git a/thirdparty/install-vtk.sh b/thirdparty/install-vtk.sh
index 950ed3d2f..1d00fd0d0 100755
--- a/thirdparty/install-vtk.sh
+++ b/thirdparty/install-vtk.sh
@@ -33,4 +33,4 @@ else
   fi
 fi
 
-exit 1
+exit 0