#!/bin/bash -l
# 
#SBATCH --nodes=1
#SBATCH --job-name=PyTest
#SBATCH --partition=48cpu_192mem
#SBATCH --ntasks-per-node=48
#SBATCH --time=1-00:00:00
#SBATCH --mail-type=ALL
 
export OMP_NUM_THREADS=1
 
module purge
module load Python
 
# Set up temporary scratch directory
scratchlocation=/scratch/users
 
if [! -d $scratchlocation/$USER]; then
    mkdir -p $scratchlocation/$USER
fi
 
tdir=$(mktemp -d $scratchlocation/$USER/$SLURM_JOB_ID)
 
cd $tdir
 
if [! -d “$tdir”]; then
    echo "Temporary scratch directory does not exist ..."
    echo "Something is wrong, contact support."
    exit
fi
 
# Copy the python script
cp $SLURM_SUBMIT_DIR/input.py $tdir/
 
# run the job
mpirun python input.py
 
# Copy output
cp $tdir/out.txt $SLURM_SUBMIT_DIR/
                                                                                                     
rm -rf $tdir