#!/bin/csh
#PBS -l nodes=1:ppn=4 
#PBS -N run.gamess.demo
#PBS -l walltime=5:00
#PBS -j oe
#PBS -q debug

source /usr/share/modules/init/csh
source /etc/csh.cshrc.psc
module load gamess


set echo

cd $PBS_O_WORKDIR

set GAMESS_SCR = $SCRATCH/gamess_${PBS_JOBID} 

if (-d $GAMESS_SCR) then
   rm -rf $GAMESS_SCR
endif
mkdir $GAMESS_SCR

cp exam01.inp $GAMESS_SCR/
cd $GAMESS_SCR
rungms exam01 00 4 > $PBS_O_WORKDIR/exam01.out 

cd $PBS_O_WORKDIR
rm -rf $GAMESS_SCR