Docker/Singularity capabilities for OpenFOAM® + HiSA + PyTorch

Overview

The Dockerfile in this repository creates an image with ESI-OpenFOAM, HiSA and PyTorch support. The image is currently based on

• Ubuntu 22.04,
• OpenFOAM-v2112,
• HiSA 1.4.6, and
• PyTorch 1.10.2 (only CPU).

OpenFOAM is not compiled from scratch but installed via the package manager (read more). Also for PyTorch, only the pre-compiled C++ part of the library, named libtorch, is contained on the image. However, the HiSA package is pulled from the source and compiled, in which the libraries are installed in $FOAM_APPBIN and $FOAM_LIBBIN instead of user libraries.

How to build the images

Docker

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To build a docker image,

git clone https://github.com/darshan315/OpenFOAM_HiSA_PyTorch.git
cd OpenFOAM_HiSA_PyTorch
docker build -t user_name/openfoam_hisa_pytorch:of2112_hisa1.4.6_pt1.10.2_ub22.04 -f Dockerfile .

To create a container,

./create_openfoam_container.sh

To start the container and use interactively,

./start_openfoam.sh

Singularity

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To build the image (.sif),

sudo singularity build of2112_hisa1.4.6_pt1.10.2_ub22.04.sif Singularity.def

To use the container interactively,

singularity shell of2112_hisa1.4.6_pt1.10.2_ub22.04.sif

To use the image non-interactively and run the application,

singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif [path] [arguments]

Tests

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The test directory contains the example scripts for OpenFOAM, HiSA, and PyTorch. These examples can be executed to check the correct installation and compilation.

OpenFOAM:

• Click to expand!

  The test case for OpenFOAM follows cavity example given in OpenFoam tutorials. The example can be run from top-level directory of this repository as,

  # To run the simulation
  singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif ./Allrun ./test/cavity/
  # To clean the finished simulation
  singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif ./Allclean ./test/cavity/
  

HiSA

• Click to expand!

  The test case for HiSA follows rae2822 example given in HiSA examples. The example can be run from top-level directory of this repository as,

  # To generate the mesh
  singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif ./setupMesh ./test/rae2822/
  # To run the simulation
  singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif ./runSim ./test/rae2822/
  # To clean the mesh
  singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif ./cleanMesh ./test/rae2822/
  # To clean the finished simulation
  singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif ./cleanSim ./test/rae2822/
  

PyTorch

• Click to expand!

  From top-level directory of this repository, you can build and run tensorCreation as follows:

  # build
  singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif wmake test/tensorCreation/
  # run
  singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif ./tensorCreation test/tensorCreation/
  # clean
  singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif wclean test/tensorCreation/
  

  Alternatively, one can also define scripts, which are then executed by Singularity. For example, to build and run the second example, simpleMLP, run the compileAndRun.sh script:

  singularity run of2112_hisa1.4.6_pt1.10.2_ub22.04.sif ./compileAndRun.sh test/simpleMLP/
  

For more Information, see 1, 2, 3, 4, 5, 6.