Script-vasp-tekla

The current version in Tekla2 is current version

#!/bin/bash
#$ -N NAME
#$ -pe c8m24_ompi NUMBER_OF_CORE
#$ -cwd
#$ -o vasp-ompi.out
#$ -e vasp-ompi.err
#$ -S /bin/bash

. /etc/profile.d/modules.sh
module load vasp/5.2_VTST

export OMP_NUM_THREADS=1
mpirun -np $NSLOTS vasp

rm -f CHG* WAVE*