Description

From Molden Documentation: Molden is a package for displaying Molecular Density from the Ab Initio packages GAMESS-UK , GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac

Version

• 4.9

Authorized Users

• CIRCE account holders

Platform

• CIRCE cluster

Running Molden on CIRCE

Modules

Molden requires the following module file to run:

• apps/molden/4.9
  See Modules for more information.

Starting the Application

Molden is quite easy to execute on CIRCE:

Before you login to CIRCE, you need to make sure you have X11 Forwarding enabled. If you’re logging in from a UNIX/Linux system, you will need to do the following:

ssh -Y user@circe.rc.usf.edu

Simply type gmolden at the command prompt AFTER loading the proper module (see above) in your terminal window. If you have properly configured an X11 session, you should see the full GMolden interface.

For Windows, Mac, and Linux users, GMolden can also be launched through the CIRCE Desktop Environment using a terminal. For more information about the CIRCE Desktop Environment, please see our CIRCE Desktop Environment documentation.

Reporting Bugs

Report bugs with Molden to the IT Help Desk: rc-help@usf.edu