#!/bin/sh
#PBS -l walltime=72:00:00
#PBS -lselect=1:ncpus=4:mem=2600MB
#PBS -j oe
#PBS -q pqph

module load dl_poly/2.19
module load intel-suite
module load mpi

cp $WORK/bmim/CONTROL $TMPDIR
cp $WORK/bmim/FIELD $TMPDIR
cp $WORK/bmim/CONFIG $TMPDIR
cp $WORK/bmim/REVOLD $TMPDIR

mpiexec DLPOLY.X > $PBS_O_WORKDIR/test.1

cp $TMPDIR/OUTPUT $PBS_O_WORKDIR/
cp $TMPDIR/REVCON $PBS_O_WORKDIR/
cp $TMPDIR/REVIVE $PBS_O_WORKDIR/
cp $TMPDIR/STATIS $PBS_O_WORKDIR/
cp $TMPDIR/HISTORY $PBS_O_WORKDIR/
cp $TMPDIR/ZDNDAT $PBS_O_WORKDIR/
cp $TMPDIR/RDFDAT $PBS_O_WORKDIR/