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CatalyticFOAM

CatalyticFOAM is a CFD solver for heterogeneous reacting flows with detailed kinetic mechanisms, developed on top of the OpenFOAM framework.

CatalyticFOAM is available as a module, which calls a Singularity container on Apocrita.

Usage

To run the default version of CatalyticFOAM, simply load the catalyticfoam module:

module load catalyticfoam
catalyticfoam [command]

The command must be a valid CatalyticFOAM or OpenFOAM command. A few examples are listed below:

catalyticfoam foamExec
catalyticfoam blockMesh
catalyticfoam catalyticPimpleFOAM

Add the -help parameter after any CatalyticFOAM command for usage information and examples.

Example jobs

In both examples below, substitute FOAM_PROJECT with your actual CatalyticFOAM project directory.

Serial job

Here is an example job running on 1 core and 5GB of memory:

#!/bin/bash
#$ -cwd
#$ -j y
#$ -pe smp 1
#$ -l h_vmem=5G

module load catalyticfoam

cd FOAM_PROJECT
catalyticfoam blockMesh
mpirun -np $NSLOTS catalyticfoam catalyticPimpleFOAM

Parallel job

Here is an example job running on 48 cores across 2 sdv nodes with MPI:

#!/bin/bash
#$ -cwd
#$ -j y
#$ -pe parallel 48
#$ -l infiniband=sdv-i
#$ -l h_rt=240:0:0

module load catalyticfoam

cd FOAM_PROJECT
catalyticfoam blockMesh
mpirun -np $NSLOTS catalyticfoam catalyticPimpleFOAM

Reference