#!/bin/csh
#PBS -N mpqc         
#PBS -l walltime=0:05:00
#PBS -j oe              
#PBS -l size=32          
#PBS -m ae			
#PBS -M jjwilke@ccc.uga.edu

module load mpqc
cd $PBS_O_WORKDIR
setenv XT_SYMMETRIC_HEAP_SIZE 512M
echo `pwd`
set scratch = ~/scratch/mpqc.$PBS_JOBID
mkdir $scratch

cp input.dat $scratch
cd $scratch

pbsyod -SN $MPQC_DIR/bin/mpqc input.dat > $PBS_O_WORKDIR/output.dat.$PBS_O_SIZE

rm -rf $scratch