Listing 1. Example Slurm batch script to run a solver with 1152 mpi tasks

#!/bin/bash --login
 
#SBATCH --job-name=[name_of_job]
#SBATCH --partition=work
#SBATCH --ntasks=1152
#SBATCH --ntasks-per-node=128
#SBATCH --cpus-per-task=1
#SBATCH --exclusive
#SBATCH --time=[neededTime]

# --- Load modules and define images:
# -Using the containerised container:
module load openfoam-org-container/7
# -Using user's own image:
#module load singularity/<VERSION>-mpi  #Adapt <version> to the current provided version of singularity
#SINGULARITY_CONTAINER="/PathToTheSingularityImage/myopenfoam-8.sif"  #Adapt path and name to the correct ones

#--- Specific settings for the cluster you are on
#(Check the specific guide of the cluster for additional settings)

# ---
# Set MPI related environment variables. Not all need to be set
# main variables for multi-node jobs (uncomment for multinode jobs)
export MPICH_OFI_STARTUP_CONNECT=1
export MPICH_OFI_VERBOSE=1
#Ask MPI to provide useful runtime information (uncomment if debugging)
#export MPICH_ENV_DISPLAY=1
#export MPICH_MEMORY_REPORT=1


#--- Automating the list of IORANKS for collated fileHandler
echo "Setting the grouping ratio for collated fileHandling"
nProcs=$SLURM_NTASKS #Number of total processors in decomposition for this case
mGroup=32            #Size of the groups for collated fileHandling (32 is the initial recommendation for Setonix)
of_ioRanks="0"
iC=$mGroup
while [ $iC -le $nProcs ]; do
   of_ioRanks="$of_ioRanks $iC"
   ((iC += $mGroup))
done
export FOAM_IORANKS="("${of_ioRanks}")"
echo "FOAM_IORANKS=$FOAM_IORANKS"

#-- Execute the solver:
srun -N $SLURM_JOB_NUM_NODES -n $SLURM_NTASKS -c 1 \
     singularity exec $SINGULARITY_CONTAINER pimpleFoam -parallel
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