Difference between revisions of "GaussView"

Latest revision as of 21:41, 20 February 2017

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

@@ Line 1: / Line 1: @@
 == 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.
+''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 ==
+{{AppVersion|5.0}}
-*5.0
+=== Authorized Users ===
+* Users added to the <code>gaussian</code> group (upon request approval)
-== Authorized Users ==
+{{Platforms-CIRCE}}
-* Restricted application
+=== Modules ===
-* Users added to the <code>gaussian</code> group upon request approval
-== Platform ==
-* <code>CIRCE</code> cluster
-== Running GaussView on CIRCE ==
-=== [[Modules]] ===
 GaussView requires the following module files to run:
@@ Line 29: / Line 20: @@
 See [[Modules]] for more information.
-=== Starting the Appliction ===
+{{AppRunningOnCIRCE}}
-GaussView is quite easy to execute on Circe:
+=== Starting the Application ===
-Before you login to <code>CIRCE</code>, 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:
+{{X11Connection-CIRCE}}
-<pre style="white-space:pre-wrap; width:35%; border:1px solid lightgrey; background:#000000; color:white;">ssh -Y user@circe.rc.usf.edu</pre>
+Once connected to CIRCE, you can open {{PAGENAME}} using the steps below:
-Simply type <code> gview </code> 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 GaussView interface.
-For Windows, Mac, and Linux users, GaussView can also be launched through the CIRCE Desktop Environment by selecting the GaussView launcher in the Applications menu. For more information about the CIRCE Desktop Environment, please see our [[CIRCE Desktop|CIRCE Desktop Environment]] documentation.
+<pre style="white-space:pre-wrap; width:45%; border:1px solid lightgrey; background:#000000; color:white;">[user@login0 ~]$ module add apps/gaussian/09b01_amd64
+[user@login0 ~]$ module add apps/gaussian/gaussview-5.0
+[user@login0 ~]$ gview</pre>
 === Caveats ===
@@ Line 44: / Line 37: @@
 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.
-{{MoreInformation}}
 {{ReportingBugs}}