GaussView

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Description

From GaussView Documentation: GaussView is a graphical user interface designed to help you prepare input for submission to Gaussian and to examine graphically the output that Gaussian produces.

Version

  • 5.0

Authorized Users

  • Users added to the gaussian group (upon request approval)

Platforms

  • CIRCE cluster

Modules

GaussView requires the following module files to run:

  • apps/gaussian/09b01_amd64
  • apps/gaussian/gaussview-5.0

See Modules for more information.

Running GaussView on CIRCE

The GaussView user guide is essential to understanding the application and making the most of it. The guide and this page should help you to get started with your simulations. Please refer to the Documentation section for a link to the guide.

  • Note on CIRCE: Make sure to run your jobs from your $WORK directory!
  • Note: Scripts are provided as examples only. Your SLURM executables, tools, and options may vary from the example below. For help on submitting jobs to the queue, see our SLURM User’s Guide.


Starting the Application

Establishing a GUI connection to CIRCE

To use GaussView, you will need to connect to CIRCE with GUI redirection, either using:

  • CIRCE/SC Desktop Environment
  • SSH with X11 redirection
    • If connecting from OSX or Linux via SSH, please ensure that you use one of the following commands to properly redirect X11:
      • [user@localhost ~]$ ssh -X circe.rc.usf.edu

Once connected to CIRCE, you can open GaussView using the steps below:

[user@login0 ~]$ module add apps/gaussian/09b01_amd64
[user@login0 ~]$ module add apps/gaussian/gaussview-5.0
[user@login0 ~]$ gview

Caveats

GaussView expects to be aware of the Gaussian installation in order to invoke it from the GUI. Therefore you must load the 09b01 module first. When starting gview, error messages may appear concerning this.

Reporting Bugs

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