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Gaussview

General Information

Short Description: An interface to Gaussian.

Category: Computational Chemistry

Installation Information

Version: 4.12 and 5.08      Version Date:  2007, and 2009

Technical support:  Please contact Research Services (researchservices@bc.edu)

Terms of Use:  

License Information

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

Usage Information

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:

    gview

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

    $GEXE $INFILE

with

    /usr/public/gaussian/g03/gaussian_submit $INFILE

You can also add options to gaussian_submit.
Documentation

 For information about start gview, and use the on-line help.