/tmp/slurmd/job8440949/slurm_script: line 31: mpirun: command not found

From: İmren Bayıl (ib57001_at_student.gaziantep.edu.tr)
Date: Mon Feb 14 2022 - 08:27:35 CST

ı wan to run namd slurm but when ı write sbatch namd_slurm.bash it s
failed ı am getting this error /tmp/slurmd/job8440949/slurm_script: line
31: mpirun: command not found
actually when the run my local computer it is running but it takes so long
but ı want to run slurm so could you help me please
#!/bin/bash
#SBATCH -p sardalya
#SBATCH -A ibayil
#SBATCH -J namd-multicore-test
#SBATCH -N 2
#SBATCH -n 16
#SBATCH --time=15-00:00:00
#SBATCH --workdir=/truba_scratch/ibayil/amber
#SBATCH --output=out_slurm/slurm-%j.out
#SBATCH --error=error_slurm/slurm-%j.err

export OMP_NUM_THREADS=2
export
LD_LIBRARY_PATH=/truba/sw/centos7.3/app/namd/2017-11-10-multicore/lib:$LD_LIBRARY_PATH
export PATH=/truba/sw/centos7.3/app/namd/2017-11-10-multicore/bin:$PATH

echo "SLURM_NODELIST $SLURM_NODELIST"
echo "NUMBER OF CORES $SLURM_NTASKS"

wdir=/truba_scratch/ibayil/amber #Uygulama için çalıştırılacak dosyaların
adresleri.
cd $wdir

infile=$wdir/water.namd #Uygulamanın çalışması için gerekli input ve output
dosyaların adları.
outfile=$wdir/job.log

#tum kuyruklar icin
module load centos7.3/app/namd/2017-11-10-multicore

#cuda kuyrugu icin
#module load centos7.3/app/namd/2017-11-10-multicore-cuda

mpirun /truba/sw/centos7.3/app/namd/2017-11-10-multicore/namd2 <$infile>
$outfile

#$NAMD_DIR/namd2 +p $SLURM_NTASKS +idlepoll water.namd

This archive was generated by hypermail 2.1.6 : Tue Dec 13 2022 - 14:32:44 CST