#!/bin/bash
#PBS -j eo
#PBS -r n
#PBS -l nodes=1:ppn=8
hostname
date

export g16root=~/local
#export GAUSS_SCRDIR=${TMPDIR:-$PBS_O_WORKDIR}
#export GAUSS_SCRDIR=$TMPDIR/$PBS_JOBNAME
export GAUSS_SCRDIR=~/scratch/$PBS_JOBNAME
source $g16root/g16/bsd/g16.profile

export RUN_DIR=~/gaussian/

rm -rf $GAUSS_SCRDIR
mkdir -p $GAUSS_SCRDIR
cd ${RUN_DIR}

g16 < $PBS_JOBNAME.gau > $PBS_JOBNAME.out

rm -rf $GAUSS_SCRDIR
date