Rice Specific Gaussian Notes

by Cristian V. Diaconu

This works on our desktops as well as on the RCSG machines (SUG@R, STIC, etc).

Gaussian directory:

GAUHOME=/projects/guscus/apps/gau
This is resolved to the appropriate architecture and operating system on each machine.

How to setup Gaussian environment

source $GAUHOME/GAU-VER/setenv.csh

NOTE: for sh-like shells do . $GAUHOME/GAU-VER/setenv.sh.
Please let me know if the .sh variant is missing for your favorite Gaussian version.

HOWEVER: you need to use tcsh to compile.

How to run Gaussian on our RHEL5 desktops

Option 1:

source $GAUHOME/GAU-VER/setenv.csh
GAU < INPUT > OUTPUT

Option 2:

using rungj included in my utility package: /projects/guscus/cvd1/util.VERSION.tar.bz2 (see rungj -h for usage).

How run Gaussian on RCSG clusters

How to Compile Gaussian

source $GAUHOME/GAU-VER/setenv.csh
mk TARGET

How to run GaussView

$GAUHOME/gaussview

If this does not work, then add the option --soft.

NOTE: If the fonts are huge and ugly add the following to your ~/.qt/qtrc under [General]
(or create the file and add a line containing [General]):

font=Sans,10,-1,5,50,0,0,0,0,0

or copy mine ~cvd1/.qt/qtrc.

This page was last updated on February 23, 2011 by Cristian V. Diaconu