# SV1 Example Batch Script
# Replace n2opt with myfile, where myfile.com is your input file.
#QSUB -r  n2opt              # Batch job name
#QSUB -eo                    # This combines stderr & stdout
#QSUB -J m                   # Append job log to stdout
#QSUB -me                    # Email when job is finished
#QSUB -s /bin/sh             # Execute this script with indicated shell
#QSUB -lT 0:51:00            # Request cpu time limit hr:min:sec
#QSUB -lM  64Mw              # Request memory limit
cd $TMPDIR                   # Change to temporary directory
INPUT=n2opt.com              # Define input file name
cp $QSUB_WORKDIR/$INPUT .    # Copy input file
module load g98a.9           # Load gaussian module
ja                           # Start job accounting
g98 < ./$INPUT               # Execute gaussian
cp * $QSUB_WORKDIR           # Copy all files
ja -chlflselt                # Print job accounting information