#!/bin/bash
#PBS -N lammps
#PBS -j oe
#PBS -o lammps
#PBS -l pmem=1493mb
#PBS -l walltime=24:00:00
#PBS -l nodes=1:ppn=16

module load lammps/8.10.15

mpirun -n 16 lmp_mpi < inputfile.in

echo "Job finished at `date`"