OpenFOAM
Introduction
OpenFOAM is a framework for developing application executables that use packaged functionality contained within a collection of approximately 100 C+ libraries. OpenFOAM is shipped with approximately 250 pre-built applications that fall into two categories: solvers, that are each designed to solve a specific problem in fluid (or continuum) mechanics; and utilities, that are designed to perform tasks that involve data manipulation.
Source: https://cfd.direct/openfoam/user-guide/
Usage using singularity Container : OpenFOAM 4.1
Creating the singularity image
source /usr/local/bin/s3proxy.sh mkdir -p $HOME/sw/Containers/ cd $HOME/sw/Containers/ singularity pull docker://public.docker.itc.griffith.edu.au/openfoam/openfoam4-paraview50 #You may skip above steps by copying the images that have been stored in /sw/Containers/singularity/images/openfoam4-paraview50_latest.sif #mkdir -p $HOME/sw/Containers/;cd $HOME/sw/Containers/;cp /sw/Containers/singularity/images/openfoam4-paraview50_latest.sif .
Initial setup and test
mkdir -p $HOME/OpenFOAM/${USER}-4.1 cd $HOME/OpenFOAM/${USER}-4.1 singularity shell -B /scratch/${USER}:/scratch --pwd /scratch/${USER}:/scratch --pwd $HOME/OpenFOAM/${USER}-4.1 $HOME/sw/Containers/openfoam4-paraview50_latest.sif Once inside the shell: source /opt/openfoam4/etc/bashrc mkdir -p $FOAM_RUN cd $FOAM_RUN cp -r $FOAM_TUTORIALS/incompressible/simpleFoam/pitzDaily . cd pitzDaily blockMesh simpleFoam paraFoam
Launcher script to run a test job
cat $HOME/OpenFOAM/${USER}-4.1/openfoamLauncher4.sh >>>>>>>>>>>>>>>> #!/bin/bash source /opt/openfoam4/etc/bashrc mkdir -p $FOAM_RUN cd $FOAM_RUN cp -r $FOAM_TUTORIALS/incompressible/simpleFoam/pitzDaily . cd pitzDaily blockMesh simpleFoam paraFoam
cd $HOME/OpenFOAM/${USER}-4.1/
chmod +x openfoamLauncher4.sh
pbs script - A sample to run the test job in the above example using pbs.
cat $HOME/OpenFOAM/${USER}-4.1/pbs.01
#!/bin/bash #PBS -m abe #PBS -M YourEmail@griffith.edu.au #PBS -N TestOpenFoam4Job1 #PBS -q workq #PBS -l select=1:ncpus=1:mem=2gb,walltime=3:00:00 cd $PBS_O_WORKDIR #An example is as below. Modify accordingly to suit your needs singularity exec -B /scratch/${USER}:/scratch --pwd /scratch/${USER}:/scratch --pwd $HOME/OpenFOAM/${USER}-4.1 $HOME/sw/Containers/openfoam4-paraview50_latest.sif "./openfoamLauncher4.sh" exit sleep 2
cd $HOME/OpenFOAM/${USER}-4.1/
qsub pbs.01
Interactive pbs job
qsub -I -l select=1:ncpus=1:mem=2gb,walltime=3:00:00 #Once inside the job: cd $PBS_O_WORKDIR singularity shell -B /scratch/${USER}:/scratch --pwd /scratch/${USER}:/scratch --pwd $HOME/OpenFOAM/s3000725-4.1 $HOME/sw/Containers/openfoam4-paraview50_latest.sif #Once inside the container: source /opt/openfoam4/etc/bashrc mkdir -p $FOAM_RUN cd $FOAM_RUN cp -r $FOAM_TUTORIALS/incompressible/simpleFoam/pitzDaily . cd pitzDaily blockMesh simpleFoam paraFoam
openFOAM version 11
Ref: https://hub.docker.com/r/openfoam/openfoam4-paraview50
https://openfoam.org/download/4-1-linux/
Old Information: For Legacy reasons only
Usage
module load OpenFoam/4.0.0 echo "alias of40=' source \/sw/OpenFoam/OpenFOAM-4.0/etc/bashrc WM_LABEL_SIZE=64 WM_COMPILER_TYPE=ThirdParty FOAMY_HEX_MESH=yes'" >> $HOME/.bashrc >>>>>>>>>>> Add this into your $home/.bashrc alias of40=' source \/sw/OpenFoam/OpenFOAM-4.0/etc/bashrc WM_LABEL_SIZE=64 WM_COMPILER_TYPE=ThirdParty FOAMY_HEX_MESH=yes' >>>>>>>>>>> End User Update: Nov 5th 2018: ================================= Add this into your $home/.bashrc alias of40='module load OpenFoam/4.0.0; source \/sw/OpenFoam/OpenFOAM-4.0/etc/bashrc /sw/OpenFoam/OpenFOAM-4.0/etc/pref.sh WM_LABEL_SIZE=64 WM_COMPILER_TYPE=ThirdParty FOAMY_HEX_MESH=yes'; >>>>>>>>>>>>>>>>>>>>>>>>> source /sw/OpenFoam/OpenFOAM-4.0/etc/bashrc WM_LABEL_SIZE=64 WM_COMPILER_TYPE=ThirdParty FOAMY_HEX_MESH=yes Reminder: Whenever you start a new terminal window or tab, you should run the alias command associated to the OpenFOAM 4.0 shell environment. In other words, run the following command whenever you start a new terminal: of40
Installation
##source: https://openfoamwiki.net/index.php/Installation/Linux/OpenFOAM-4.0/CentOS_SL_RHEL
module load library/libxml2/2.5 module load misc/extralibs/extralibs module load library/bzip2/1.0.6fpic module load NetCDF/4.4.1.1-gnu module load misc/openssl/1.0.2 module load jdk/1.8.0_66 module load library/xz/5.3.3 module load library/gdal/2.3.0 module load misc/curl/7.54.0 module load library/gmp/6.0.0 module load pcre/8.39 module load mpi/openMPI/1.8.5-gcc4.9.0 module load library/mpfr/3.1.2 module load gcc/6.3.0 module load library/geos/3.6.1 module load library/hdf5/1.8.18-parallel module load library/bzip2/1.0.6 module load library/hdf5/1.8.18 module load library/tiff/4.0.7 module load openmpi-x86_64 module load ATLAS/3.9.39 module load misc/rtmpdump/rtmp module load library/libgeotiff/1.4.1 module load library/expat/2.2.0 module load library/mpc/1.0.2 module load jags/4.2.0 module load R/3.4.0 module load library/jasper/1.900.1 module load library/zlib/1.2.11 module load library/zlib/1.2.5 cd /sw/OpenFoam/OpenFOAM-4.0 wget "http://download.openfoam.org/source/4-0" -O OpenFOAM-4.0.tgz wget "http://download.openfoam.org/third-party/4-0" -O ThirdParty-4.0.tgz tar -xzf OpenFOAM-4.0.tgz tar -xzf ThirdParty-4.0.tgz mv OpenFOAM-4.x-version-4.0 OpenFOAM-4.0 mv ThirdParty-4.x-version-4.0 ThirdParty-4.0 cd ThirdParty-4.0 mkdir download wget -P download http://www.cmake.org/files/v3.2/cmake-3.2.1.tar.gz wget -P download https://github.com/CGAL/cgal/releases/download/releases%2FCGAL-4.8/CGAL-4.8.tar.xz wget -P download http://sourceforge.net/projects/boost/files/boost/1.55.0/boost_1_55_0.tar.bz2 tar -xzf download/cmake-3.2.1.tar.gz tar -xJf download/CGAL-4.8.tar.xz tar -xjf download/boost_1_55_0.tar.bz2 cd /sw/OpenFoam/OpenFOAM-4.0 sed -i -e 's/\(boost_version=\)boost-system/\1boost_1_55_0/' OpenFOAM-4.0/etc/config.sh/CGAL sed -i -e 's/\(cgal_version=\)cgal-system/\1CGAL-4.8/' OpenFOAM-4.0/etc/config.sh/CGAL ln -s /sw/gcc/4.8.5 /sw/OpenFoam/ThirdParty-4.0/platforms/linux64/gcc-4.8.5 module load openmpi-x86_64 source /sw/OpenFoam/OpenFOAM-4.0/etc/bashrc WM_LABEL_SIZE=64 WM_COMPILER_TYPE=ThirdParty FOAMY_HEX_MESH=yes alias of40=' source \/sw/OpenFoam/OpenFOAM-4.0/etc/bashrc WM_LABEL_SIZE=64 WM_COMPILER_TYPE=ThirdParty FOAMY_HEX_MESH=yes' of40 >>>>>>>>>>> Add this into your $home/.bashrc echo "alias of40=' source \/sw/OpenFoam/OpenFOAM-4.0/etc/bashrc WM_LABEL_SIZE=64 WM_COMPILER_TYPE=ThirdParty FOAMY_HEX_MESH=yes'" >> $HOME/.bashrc >>>>>>>>>>>> cd $WM_THIRD_PARTY_DIR wget "https://raw.github.com/wyldckat/scripts4OpenFOAM3rdParty/master/getGcc" wget "https://raw.github.com/wyldckat/ThirdParty-2.0.x/binutils/makeBinutils" wget "https://raw.github.com/wyldckat/ThirdParty-2.0.x/binutils/getBinutils" chmod +x get* make* cd $WM_THIRD_PARTY_DIR ./makeCmake > log.makeCmake 2>&1 wmRefresh ./getGcc gcc-4.8.5 gmp-5.1.2 mpfr-3.1.2 mpc-1.0.1 ./makeGcc -no-multilib > log.makeGcc 2>&1 wmRefresh ./getBinutils ./makeBinutils gcc-4.8.5 > log.makeBinutils 2>&1 # This next command will take a little while... ./makeCGAL gmp-5.1.2 mpfr-3.1.2 > log.makeCGAL 2>&1 #update the shell environment wmRefresh cd $WM_THIRD_PARTY_DIR #Get the scripts we need wget https://github.com/wyldckat/scripts4OpenFOAM3rdParty/raw/master/getQt wget https://github.com/OpenFOAM/ThirdParty-2.4.x/raw/master/makeQt wget -P etc/tools/ https://github.com/OpenFOAM/ThirdParty-2.4.x/raw/master/etc/tools/QtFunctions #make them executable chmod +x getQt makeQt #define correct download version and download it sed -i -e 's=4\.6=4.8=' -e 's=4\.8\.4=4.8.6=' -e 's=/\$major/\$tarFile=/$major/$version/$tarFile=' getQt ./getQt ./makeQt qt-4.8.6 > log.makeQt 2>&1 cd $WM_THIRD_PARTY_DIR #this will take a while... somewhere between 30 minutes to 2 hours or more ./makeParaView -qmake $WM_THIRD_PARTY_DIR/platforms/$WM_ARCH$WM_COMPILER/qt-4.8.6/bin/qmake -mpi -python > log.makePV 2>&1 Once the makeParaView script is finished running, make sure to check the contents of the file log.makePV and check if there are any errors. wmRefresh Now let's build OpenFOAM:Go into OpenFOAM's main source folder:cd $WM_PROJECT_DIR ./Allwmake -j 4 > log.make 2>&1 The "4" refers to the number of cores to be used for building in parallel. In addition, the amount of RAM needed for building scales with the number of cores used, something like 1GB of RAM per core; a minimum of 1.5GB is needed for linking the libraries, which is not done in parallel. Run it a second time for getting a summary of the installation:./Allwmake -j 4 > log.make 2>&1 To check if everything went well:Check if icoFoam is working, by running this command: icoFoam -help Usage: icoFoam [OPTIONS] options: -case <dir> specify alternate case directory, default is the cwd -noFunctionObjects do not execute functionObjects -parallel run in parallel -roots <(dir1 .. dirN)> slave root directories for distributed running -srcDoc display source code in browser -doc display application documentation in browser -help print the usage Using: OpenFOAM-4.0 (see www.OpenFOAM.org) Build: 4.0 Reminder: Whenever you start a new terminal window or tab, you should run the alias command associated to the OpenFOAM 4.0 shell environment. In other words, run the following command whenever you start a new terminal:of40
Sample pbs script
#PBS -m abe #PBS -M Myemail@griffith.edu.au #PBS -N MyOpenFOAM #PBS -l select=1:ncpus=1:mem=1g,walltime=1:00:00 # specifies the input file and output file ##jobname=MyOpenFOAMrun ##jobInput=~/pbs/olafoam/myrun.inp ## sets up the OpenFOAM environment module load OpenFoam/4.0.0 module list source /sw/OpenFoam/OpenFOAM-4.0/etc/bashrc WM_LABEL_SIZE=64 WM_COMPILER_TYPE=ThirdParty FOAMY_HEX_MESH=yes cd $PBS_O_WORKDIR # starts simulation icoFoam -help
OpenFOAM on GriffithHPC
Ref: https://www.palmetto.clemson.edu/palmetto/software_singularity.html
Singularity is installed on the nodes but if needed latest version of singularity can be loaded with #module load singularity The container with openfoam6-paraview54 can be located in: /sw/OpenFoam/Containers/openfoam6-paraview54_latest.sif We use singularity shell to start a container, and run a shell in the container. The -B option is used to “bind” the /scratch/$USER directory to a directory named /scratch in the container. We also the --pwd option to specify the working directory in the running container (in this case /scratch). This is always recommended. singularity shell -B /scratch/s123456:/scratch --pwd /scratch /sw/OpenFoam/Containers/openfoam6-paraview54_latest.sif Using it with PBS scheduler, we need to set up two bash scripts: the launch script that gets executed inside singularity and the PBS scheduler script that instructs the scheduler to start singularity. ============== Prep the Image =============== mkdir ~/Container cp -r /sw/OpenFoam/Containers/openfoam6-paraview54_latest.sif-centos ~/Container ====================================== Launcher Script: singularity_launch.01 ========================== source /opt/openfoam6/etc/bashrc cp -r $FOAM_TUTORIALS/incompressible/simpleFoam/pitzDaily . cd pitzDaily blockMesh simpleFoam #Make sure that it is executable with chmod +x singularity_launch.01 =================== pbs script: pbs.01 ================== #!/bin/bash -l #PBS -m abe #PBS -M YourEmail@griffith.edu.au #PBS -V #PBS -N TestOPENFOAM #PBS -q workq #PBS -l select=1:ncpus=1:ngpus=1:mem=32gb,walltime=30:00:00 cd $PBS_O_WORKDIR ##run singularity #singularity shell -B /scratch/s12345:/scratch --pwd /scratch /sw/OpenFoam/Containers/openfoam6-paraview54_latest.sif singularity shell -B /scratch/s12345:/scratch --pwd /scratch /sw/OpenFoam/Containers/openfoam6-paraview54_latest.sif singularity shell -B /scratch/s12345:/scratch --pwd /scratch/scratch/s12345:/scratch --pwd /scratch --nv /sw/OpenFoam/Containers/openfoam6-paraview54_latest.sif /scratch/s12345/singularity_launch.01 #singularity shell -B /share/data:/mnt --nv ubuntu.simg /mnt/[PATH TO ExoGAN]/singularity_launch_gan.sh cat /etc/os-release exit sleep 2
Another example of usage on the new cluster
Initial Prep: ============= Copy the images into the local container folder: mkdir ~/Container cp /sw/Containers/singularity/images/openfoam7-paraview56_latest.sif ~/Container/ Shell into the container and create launcher script: ==================================================== Initial setup 1. shell into the container ============================= For example: singularity shell -B /scratch/s12345:/scratch --pwd /scratch/s12345:/scratch --pwd /scratch /export/home/s12345/Container/openfoam7-paraview56_latest.sif e.g: singularity shell -B /scratch/s5126720:/scratch --pwd /scratch/s5126720:/scratch --pwd /scratch /export/home/s5126720/Container/openfoam7-paraview56_latest.sif 2. Create a variable file you can source (While shelled into the singularity container,, do this) 2a. Copy the bashrc file to scratch cp /opt/openfoam7/etc/bashrc /scratch Modify the /scratch/bashrc file to suit your environment. 2b. (While shelled in, do this), create a variable file (openFOAMenv7.sh) with contents like this: vi /scratch/openFOAMenv7.sh #!/bin/bash export PATH=/opt/openfoam7:/opt/openfoam7/bin:/opt/paraviewopenfoam56/bin:$PATH export LD_LIBRARY_PATH=/opt/paraviewopenfoam56/lib:$LD_LIBRARY_PATH export LIBRARY_PATH=/opt/paraviewopenfoam56/lib:$LIBRARY_PATH export LDFLAGS=-L/opt/paraviewopenfoam56/lib:$LDFLAGS #export PKG_CONFIG_PATH=/sw/library/loki/0.1.7/lib/pkgconfig:$PKG_CONFIG_PATH export INCLUDE=/opt/paraviewopenfoam56/include:$INCLUDE export CPLUS_INCLUDE_PATH=/opt/paraviewopenfoam56/include:$CPLUS_INCLUDE_PATH export CPATH=/opt/paraviewopenfoam56/include:$CPATH export C_INCLUDE_PATH=/opt/paraviewopenfoam56/include:$C_INCLUDE_PATH export FPATH=/opt/paraviewopenfoam56/include:$FPATH export CFLAGS=-I/opt/paraviewopenfoam56/include:$CFLAGS export CPPFLAGS=-I/opt/paraviewopenfoam56/include:$CPPFLAGS export CXXFLAGS=-I/opt/paraviewopenfoam56/include:$CXXFLAGS export FCFLAGS=-I/opt/paraviewopenfoam56/include:$FCFLAGS export FFLAGS=-I/opt/paraviewopenfoam56/include:$FFLAGS source bashrc7 3. Manual Test Run ==================== (While shelled into the singularity container, do this) source /scratch/openFOAMenv7.sh foamInfo -help For example: Singularity openfoam7-paraview56_latest.sif:/opt/openfoam7> foamInfo -help Usage: foamInfo [OPTIONS] <name> options: -all | -a list all tutorials that use <name> (otherwise maximum 10) If the output looks correct, go to the next step 4. Create a Launcher Script; =========================== Once you are happy that all step 1 ,2 and 3 works, you can create a launcherScript While still inside the shell: vi /scratch/openfoamLauncher7.sh An example of the content is this: #!/bin/bash export LD_LIBRARY_PATH=/opt/paraviewopenfoam56/lib:$LD_LIBRARY_PATH export LIBRARY_PATH=/opt/paraviewopenfoam56/lib:$LIBRARY_PATH export PATH=/opt/openfoam7:/opt/openfoam7/bin:/opt/paraviewopenfoam56/bin:$PATH export LDFLAGS=-L/opt/paraviewopenfoam56/lib:$LDFLAGS #export PKG_CONFIG_PATH=/sw/library/loki/0.1.7/lib/pkgconfig:$PKG_CONFIG_PATH export INCLUDE=/opt/paraviewopenfoam56/include:$INCLUDE export CPLUS_INCLUDE_PATH=/opt/paraviewopenfoam56/include:$CPLUS_INCLUDE_PATH export CPATH=/opt/paraviewopenfoam56/include:$CPATH export C_INCLUDE_PATH=/opt/paraviewopenfoam56/include:$C_INCLUDE_PATH export FPATH=/opt/paraviewopenfoam56/include:$FPATH export CFLAGS=-I/opt/paraviewopenfoam56/include:$CFLAGS export CPPFLAGS=-I/opt/paraviewopenfoam56/include:$CPPFLAGS export CXXFLAGS=-I/opt/paraviewopenfoam56/include:$CXXFLAGS export FCFLAGS=-I/opt/paraviewopenfoam56/include:$FCFLAGS export FFLAGS=-I/opt/paraviewopenfoam56/include:$FFLAGS source bashrc7 #Put your run instructions/command below. foamInfo -help cd s2940457/currentWaveFlume chmod +x runCase ./runCase >>>>>>>>>>>>> make it executable: chmod +x /scratch/openfoamLauncher7.sh Run it manually and check if it gives the expected results: Check if it gives the expected results: /scratch/openfoamLauncher7.sh (OR: try cd /scratch;./openfoamLauncher.sh) 5. Running it as a batch job: ============================== Exit the shell and create this pbs script anywhere in space: mkdir /scratch/s2940457/pbs cd /scratch/s2940457/pbs vi openfoam7.pbs01 >>>>>>>>> !/bin/bash #PBS -m abe #PBS -M YourEmail@griffith.edu.au #PBS -N TestOpenFoam7 #PBS -q workq #PBS -l select=1:ncpus=8:mem=2gb,walltime=3:00:00 cd $PBS_O_WORKDIR #An example is as below. Modify accordingly to suit your needs singularity exec -B /scratch/s2940457:/scratch --pwd /scratch/s2940457:/scratch --pwd /scratch /export/home/s2940457/Container/openfoam7-paraview56_latest.sif "./openfoamLauncher7.sh" exit sleep 2 >>>>>> Submit the job and check the results (output and error files). qsub openfoam7.pbs01 If all goes well, then the only file that needs to be edited in the future is the openfoamLauncher7.sh To run in parallel, you may look at online documentation. >>>>>>>>>>>>>> e.g How to run in parallel: https://www.youtube.com/watch?v=YdYHDMygNPU >>>>>>>>>>
Another example with openfoam8
source /usr/local/bin/s3proxy.sh mkdir -p $HOME/sw/Containers/openfoam8/ cd $HOME/sw/Containers/openfoam8/ singularity pull docker://public.docker.itc.griffith.edu.au/openfoam/openfoam8-paraview56 mkdir -p $HOME/OpenFOAM/${USER}-8 cd $HOME/OpenFOAM/${USER}-8 singularity shell -B /export/home/${USER}:/home --pwd /export/home/${USER}:/home --pwd $HOME/OpenFOAM/${USER}-8 $HOME/sw/Containers/openfoam8/openfoam8-paraview56_latest.sif Once inside the shell: source /opt/openfoam8/etc/bashrc mkdir -p $FOAM_RUN #echo $FOAM_RUN #/export/home/s5072653/run cd $FOAM_RUN cp -r $FOAM_TUTORIALS/incompressible/simpleFoam/pitzDaily . cd pitzDaily blockMesh simpleFoam paraFoam To run it as a batch job, create a launcher script: 1. Launcher Script >>>>>>> vi ~/pbs/openfoam8Launcher.sh #!/bin/bash source /opt/openfoam8/etc/bashrc mkdir -p $FOAM_RUN #cd ~/run cd $FOAM_RUN cp -r $FOAM_TUTORIALS/incompressible/simpleFoam/pitzDaily . cd pitzDaily blockMesh >>>>>>>> #make it executable chmod +7 ~/pbs/openfoam8Launcher.sh 2. pbs script vi ~/pbs/openfoam8.pbs01 >>>>> #!/bin/bash #PBS -m abe #PBS -M YourEmail@griffithuni.edu.au #PBS -N TestOpenFoam8 #PBS -q workq #PBS -l select=1:ncpus=8:mem=12gb,walltime=3:00:00 cd $PBS_O_WORKDIR #An example is as below. Modify accordingly to suit your needs singularity exec -B ~:/home --pwd ~:/home --pwd /home $HOME/sw/Containers/openfoam8/openfoam8-paraview56_latest.sif "pbs/openfoam8Launcher.sh" exit sleep 2 >>>>>>> Please submit the test pbs script to check functionality cd ~/pbs qsub openfoam8.pbs01