#!/bin/bash --login
#SBATCH --job-name=dfnworks
#SBATCH --output=%x.o%j
#SBATCH --error=%x.e%j
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=8
#SBATCH --mem=16G
#SBATCH --time=0-06:00:00
#SBATCH --partition=cpu
#SBATCH --qos=cpu
#SBATCH --account=<account>

shopt -q login_shell || exit 1
test -n "$SLURM_NODELIST" || exit 1
test $SLURM_NNODES -eq 1 || exit 1

module load apptainer
module load dfnworks/2.9.6

test -n "$DFNWORKS_CONTAINER" || exit 1

sed -r -e "s/ncpu=[0-9]+/ncpu=int\(os.environ\['SLURM_NTASKS'\]\)/" driver.py > driver-slurm-aware.py

apptainer exec \
    "$DFNWORKS_CONTAINER" \
    python3 driver-slurm-aware.py