#!/bin/csh
#PBS -l ncpus=16
#PBS -N exam01.log
#PBS -l walltime=5:00
#PBS -j oe
#PBS -q debug

source /usr/share/modules/init/csh
module load gamess

set echo

# Move to working directory
cd $PBS_O_WORKDIR

# Define scratch directory for job
set GAMESS_SCR = $SCRATCH/gamess

# Delete scratch directory if if already exists
# Then recreate it
if (-d $GAMESS_SCR) then
rm -rf $GAMESS_SCR
endif
mkdir $GAMESS_SCR

# Copy the input file to the scratch directory and then move there
cp exam01.inp $GAMESS_SCR
cd $GAMESS_SCR

# Run GAMESS
rungms exam01 00 $PBS_NCPUS > $PBS_O_WORKDIR/exam01.out
Last Updated on Tuesday, 15 November 2011 10:13  

More on GAMESS

Sample blacklight job

Documentation

More User Information

Passwords

Connect to PSC systems:

PSC Policies

Technical questions:

Call the PSC hotline: 412-268-6350 / 800-221-1641 or mail to remarks@psc.edu.