64-core G09 job script-delta

#PBS -l nodes=4:ppn=16:regular

#PBS -l walltime=24:00:00


#PBS -e /your_excutable_path/error.log

cd /your_excutable_path
setenv g09root /home/pkg/lic/g09/em64t
source /home/pkg/lic/g09/em64t/g09/bsd/g09.login
setenv GAUSS_LFLAGS ‘-opt “Tsnet.Node.lindarsharg: ssh”‘
set LINDA = `cat $PBS_NODEFILE | uniq | tr ‘\n’ “,” | sed ‘s|,$|:2|’ | sed ‘s|,|:2,|g’ `
echo “-W- ” $LINDA > ./Default.Route
setenv GAUSS_SCRDIR /localscratch/your_loginid
g09< simple.com >simple.out

#where simple.com is the input file to Gaussian 09 and simple.out is the output file.
#Please note if you are using NProcShared variable in the input file it should be set to 8.