#PBS -l size=4
#PBS -N run.gamess.demo
#PBS -l walltime=5:00
#PBS -j oe

module load gamess

cd $PBS_O_WORKDIR

set GAMESS_SCR = $SCRATCH/gamess_${PBS_JOBID}.${PBS_O_SIZE} 

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

cp exam01.inp $GAMESS_SCR/
cd $GAMESS_SCR
rungms exam01 00 $PBS_O_SIZE exam01.out 

cp exam01.out $PBS_O_WORKDIR
cd $PBS_O_WORKDIR
rm -rf $GAMESS_SCR