Gaussian 03

Gaussian 03 Online Manual

☞Note: GAUSS_SCRDIR is required!

Ready for users on zeus

Replace X where X is the number of processors
Make sure %NProcShared=X is in your input file
You can allocate up to %Mem=XGB in your input file

#!/bin/csh
#PBS -q para -l nodes=zeus -l ncpus=X
source /apps/Gaussian/set_g03.csh
cd /user/jmatrow
mkdir $GAUSS_SCRDIR
g03 < h2o.com > h2o.out
rm –rf $GAUSS_SCRDIR

Ready for users on apollo & artemis

1) Replace X and Y where X is the number of processors and Y is X divided by 2
2) Make sure %NProcLinda=Y is in your input file
3) You can allocate up to %Mem=XGB in your input file
4) Use 'g03l' instead of 'g03' where l is lower case L, not the number one

#!/bin/csh
#PBS -q para -l nodes=Y:ia32:ppn=2
source /apps/Gaussian/set_g03.csh
cd /user/jmatrow
mkdir $GAUSS_SCRDIR
g03l < h2o.com > h2o.out
rm –rf $GAUSS_SCRDIR

Ready for users on notus

1) Replace X and Y where X is the number of processors and Y is X divided by 2
2) Make sure %NProcLinda=Y is in your input file
3) You can allocate up to %Mem=XGB in your input file