Singularity on GADI - qsub job.sh

job.sh

#!/bin/bash -l

#PBS -P m18
#PBS -q normal
#PBS -l ncpus=96
#PBS -l walltime=04:00:00
#PBS -l mem=80Gb
#PBS -l jobfs=2Gb
#PBS -l software=underworld
#PBS -l wd

#PBS -l storage=gdata/m18+gdata/q97

# load Singularity
module load singularity 
module load openmpi/4.1.4
 
export singularityDir=/g/data/m18/software/underworld/

# Define the container to use
export containerImage=$singularityDir/underworld-215.sif
export model="modelName.py"

# execute
mpiexec -n $PBS_NCPUS singularity exec $containerImage bash -c "python3 $model"