Delete run_JUWELS.sh

#!/bin/bash -x

######################### RESOURSE ALLOCATION #####################################

# ACCOUNT         = prpb93

# NODES           = 2                (2 nodes)

# PARTITION       = batch            (use Cluster Module)

# ERROR           = Nbody-err.%j     (error handle)

# TIME            = 00:15:00         (enough for tests)

# EXCLUSIVE       = node should not be shared with other jobs

#SBATCH --account=prpb93

#SBATCH --nodes=1

#SBATCH --partition=batch

#SBATCH --error=Nbody-err.%j

#SBATCH --time=00:03:00

#SBATCH --job-name="Nbody"

#SBATCH --exclusive

###################################################################################

################################## MODULES ########################################

# module purge

module purge

# load GCC

module load GCC/9.3.0

# load OpenMPI

module load OpenMPI

###################################################################################

# compile the application

# select flags inside the Makefile (parent directory)

cd .. && make mpi_omp_step_profiling -f Makefile

if [[ "$?" != "0" ]]

then

    echo "Cannot compile the application ...aborting..."

    exit 1

fi

# the executable

EXEC=$(find . -name *$(hostname)* -executable -type f)

if [[ "$?" != "0" ]]

then

    echo "Cannot find the executable ...aborting..."

    exit 2

fi

# return to ./script and source input parameters and function

cd - && source input_parameters && source write_paramfile.sh

# loop over particles

for PART in "${N[@]}"

do

    # loop over MPI tasks

    for TASK in "${MPI[@]}"

    do

	# loop over OMP threads

	for THR in "${THREADS[@]}"

	do

	    # write the paramfile

	    write_paramfile ${TEMPLATE}      ${PARAMFILE}       \

			    ${DELETE_OUTPUT_FILES} ${OUTPUTDIR} \

			    ${THR} ${PART}

	    # check the status

	    if [[ "$?" != "0" ]]

	    then

		echo "Error while writing ${PARAMFILE} ...aborting..."

		exit 3

	    fi

	    # move the paramfile and move to the parent directory where the executable resides

	    mv ${PARAMFILE} ../ && cd ..

	    # run the application

	    srun --ntasks ${TASK} ${EXEC} ${PARAMFILE} >& $SLURM_JOB_ID.log

	    # check exit status

	    if [[ "$?" != "0" ]]

	    then

		echo "####################################################################"

		echo "ERROR while running the app using: ${TASK} MPI tasks and ${GPU} GPUs"

		echo "####################################################################"

	    fi

	    # delete the paramfile and return to the previous directory

	    rm -f ${PARAMFILE} && cd -

	done # loop over THR

    done # loop over TASKS

done # looop over particles

# make clean

cd .. && make clean

# Everything is OK!

exit 0