This page goes through getting started with the crystal plasticity code Eulerean_Mechanics, which is an OpenFOAM application, on the CSF and setting up a Matflow workflow for a simple simulation.

The instructions have been written assuming the user is on CSF3. Please see further instructions on using OpenFOAM on CSF3 and CSF4. Please note, there are some errors in the current CSF3 instructions after the transition to SLURM. I have noted these here where relevant and the page will be updated once these have been resolved.

1. Getting started with Eulerean_Mechanics

Download the code from the Slip branch and extract it in your home directory.

Load the relevant OpenFOAM module:

module purge
module load apps/gcc/openfoam/10
source $foamDotFile

Navigate to solver and compile via:

cd Eulerian_Mechanics-Slip/solver
wclean
wmake

2. Setting up Matflow

These instructions follow…

Make a new Python virtual environment for all your MatFlow work:

module load apps/binapps/anaconda3/2024.10
python -m venv matflow_venv

Activate the environment:

source ./matflow_venv/activate

Create a matflow_requirements.txt file in your home directory containing the dependencies:

    damask==3.0.0a7.post0
    damask-parse
    numpy<2
    matflow-new

Install dependencies:

pip install -r matflow_requirements.txt

Clone the Matflow repository, switch to the OpenFOAM branch and install in editable mode:

git clone https://github.com/hpcflow/matflow-new/
cd matflow-new
git switch software/open-foam
pip install --editable .

Configure matflow for CSF3:

matflow config import github://hpcflow:matflow-configs@main/manchester-CSF3.yaml

Make a Matflow environment definitions file at ~/.matflow-new/envs.yaml, which will define the Matflow environments needed as follows:

- name: python_env
  executables:
    - label: python_script
      instances:
        - command: /path/to/matflow_venv/bin/python "<<script_path>>" <<args>>
          num_cores:
            start: 1
            stop: 168
          parallel_mode: null

- name: damask_parse_env
  executables:
    - label: python_script
      instances:
        - command: /path/to/matflow_venv/bin/python "<<script_path>>" <<args>>
          num_cores:
            start: 1
            stop: 168
          parallel_mode: null

- name: OpenFOAM
  setup: |
    module purge
    module load apps/gcc/openfoam/10

    source $foamDotFile
  executables:
    - label: openfoam_app
      instances:
        - command: $APP_PATH <<args>>
          num_cores:
            start: 1
            stop: 168
          parallel_mode: null

Further information about Matflow environments can be found at…

Tell MatFlow about the new file:

matflow config append environment_sources ~/.matflow-new/envs.yaml