#!/bin/bash
#PBS -S /bin/bash
#PBS -l pmem=2000mb
#PBS -l nodes=2:ppn=12
#PBS -l walltime=4:00:00
#PBS -m bea
#PBS -M djo764@mail.usask.ca
cd $PBS_O_WORKDIR
module load application/lammps/28Jun14

cd $PBS_O_WORKDIR
mpiexec -n 24 lmp_jasper < inputfile.in

echo "Job finished at `date`"