First, Create a PBS Script for the Job:

cat > SGE.p.vasp << EOF

#!/bin/bash
#
#$ -cwd
#$ -S /bin/bash
#$ -M yourusername@seas.harvard.edu
#$ -pe orte 4
#
#$ -o vasp.out
#$ -e vasp.err
#

#
# Use modules to setup the runtime environment
#
. /etc/profile
module load compilers/intel/10.1
module load mpi/openmpi/1.2.6-rocks/intel
module load libraries/acml/4.0/intel

#
# Execute the run
#
mpirun -np ${NSLOTS} /group/nnin/VASP/bin/vasp.parallel2

EOF

Substitute your email address at #$ -M username@seas.harvard.edu

Substitute the number of nodes at #$ -pe orte 4

Next, Create or copy the necessary VASP input file to the current directory

Last, type "qsub SGE.p.vasp to submit the job.