information technology services
Short Description: An interface to Gaussian.
Category: Computational Chemistry
Version: 4.12 and 5.08 Version Date: 2007, and 2009
Technical support: Please contact Research Services (firstname.lastname@example.org)
Number of Licenses: Site License
Type of License: BC site license for Linux
Installed Sites: Linux Cluster.
Installed Platforms: Linux
Vendor/Developer: Gaussian, Inc
Vendor Website: www.gaussian.com
1. Gaussview is a graphical application, and as such, you need an X11 client on your desktop system to use . When you ssh to scorpio.bc.edu, use:
ssh -Y -l user-name scorpio.bc.edu
2. The display (graphics) will be sent to your desktop system.
Load the gaussian module by typing:
module add gaussian
or to use version 5.08
module add gaussian/g09
3. Start gaussviewby typing:
4. You can submit calculations from Gaussview directly to the queues. Pull the "File" menu down to "Preferences". Select "Job Setup" and then select "Execute using custom command line". Replace
You can also add options to gaussian_submit.
For information about start gview, and use the on-line help.