#BSUB -q SMP8
#BSUB -o output_file
#BSUB -J Gaussian

#
# Define the Guassian environment variables
#
G03ROOT=/bfucc/PRD_G03_E01/g03
GAUSS_EXEDIR=$G03ROOT/exe
GAUSS_ARCHDIR=$HOME/g03
GMAIN=$GAUSS_EXEDIR
LD_LIBRARY_PATH=$GAUSS_EXEDIR
PATH=$GAUSS_EXEDIR:$PATH
export G03ROOT GAUSS_EXEDIR GAUSS_ARCHDIR PATH GMAIN LD_LIBRARY_PATH

#
# Change to my temporary directory in /work and copy my input files to it
#
cd /work/username/gaussian

cp $HOME/mygaussdir/gaussian.inputfile .

#
# Run the job with the instructions in gaussian.inputfile
#

time g03 < gaussian.inputfile