#@ wall_clock_limit = 0:30:00
#@ job_type = parallel
# Lancement avec 2 processus MPI ayant chacun
# 2 threads OpenMP
#@ total_tasks = 2
#@ parallel_threads = 2

#@ job_name = cpmd
#@ output = $(job_name).out
#@ error = $(output)
#@ notification = never

#@ queue

set -x

cp $workdir/LATEST $workdir/RESTART* $tmpdir
# (Get any restart file you need)

cd $tmpdir
ls -l

module load cpmd
export OMP_NUM_THREADS=2
cpmd_MPI_OMP $LOADL_STEP_INITDIR/file.in

ls -l
mv LATEST RESTART* $workdir
# (Save restart files to the workdir if you want to keep them)