vasp_inputscrpt

#!/bin/bash

#

#PBS -r n

#PBS -N vasp

#PBS -o vasp.out

#PBS -e vasp.err

#PBS -j oe

#PBS -m abe

#PBS -M YOUR_MAIL_ADDRESS_HERE

#PBS -l walltime=01:00:00

#PBS -l nodes=2:ppn=8:infiniband

#PBS -l pmem=600mb

module load intel

module load openmpi

module load vasp

VASP=vasp-cd

#VASP=vasp-gp

#VASP=tstvasp-cd

#VASP=tstvasp-gp

cd $PBS_O_WORKDIR

mpiexec $VASP > vasp.log 2>&1

>qsub <inputscript>