Updated 2019-02-27

vasp.pbs

#PBS -N vasp_job
#PBS -j oe
#PBS -o vasp_job.output.$PBS_JOBID
#PBS -l walltime=4:00
#PBS -l nodes=32:ib
#PBS -q force-6

#Start from the directory that I submitted this job from
cd $PBS_O_WORKDIR

#Load the necessary modules
module load intel/14.0.2 mvapich2 fftw/3.3.4 mkl/11.2 vasp

#This command will automatically run vasp on the 32 processors assigned to the job
mpirun -rmk pbs vasp &> VASP_job.out
#Note: Gamma-only and non-collinear versions of vasp are available.