#QSUB -o biphenyl.032
#QSUB -eo
#QSUB -l mpp_p=32
#QSUB -l mpp_t=10000
#
#
#
setenv RUNDIR /u/nwchem/wong/atw/biphenyl
setenv NWCHEM_EXE /afs/nersc.gov/u/nwchem/wong/nw/nwchem
#
#
#
cd $RUNDIR
$NWCHEM_EXE -npes 32 biphenyl.nw