# Sample script for the submission of a Crystal98
# Job to GridEngine on the SunFire 6800 cluster
# Email address for notification
#$ -M my_name@email.address.ca
#$ -m e
# Work from the present directory
#$ -cwd
#$ -o $HOME/crystal_directory/output.log
#$ -e $HOME/crystal_directory/errors.log
#$ -V
# Program calls the same as in interactive runs
cd $HOME/crystal_directory
/usr/local/crystal98/bin/integrals < input.12
/usr/local/crystal98/bin/scf
/usr/local/crystal98/bin/properties < input.3
