Script-vasp-tekla

The current version in Tekla is current version

#!/bin/bash
#$ -N NAME
#
# pe request
#$ -pe q0 NUMBER_OF_CORES
cd WORKING DIRECTORY
/usr/bin/mpirun -np 8  -machinefile $TMPDIR/machines /usr/local/bin/vasp
#E=`tail -1 OSZICAR`  >> SUMMARY-reg.PES
rm WAVECAR