Difference between revisions of "GaussView"
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{{AppVersion|5.0}} | {{AppVersion|5.0}} | ||
== Authorized Users == | === Authorized Users === | ||
* Users added to the <code>gaussian</code> group (upon request approval) | * Users added to the <code>gaussian</code> group (upon request approval) | ||
Revision as of 20:21, 8 July 2016
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
clusterRRA
clusterSC
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 $WORK directory!
- Note: Scripts are provided as examples only. Your SLURM executables, tools, and options may vary from the example below. For help on submitting jobs to the queue, see our SLURM User’s Guide.
Starting the Appliction
Establishing a GUI connection to CIRCE/SC
To use GaussView, you will need to connect to CIRCE/SC with GUI redirection, either using:
- CIRCE/SC Desktop Environment
- SSH with X11 redirection
- If connecting from OSX or Linux via SSH, please ensure that you use one of the following commands to properly redirect X11:
[user@localhost ~]$ ssh -X circe.rc.usf.edu
or[user@localhost ~]$ ssh -X sc.rc.usf.edu
- If connecting from OSX or Linux via SSH, please ensure that you use one of the following commands to properly redirect X11:
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