Difference between revisions of "Gaussian GUI"

Latest revision as of 19:17, 25 January 2023

Back to Gaussian
When starting gv via a SLURM GUI Session the following steps must be taken:

Set gv to use MESAGL instead of OpenGL via 'export USE_MESAGL=1'. See http://csc.cnsi.ucsb.edu/docs/gaussview for reference.

Load modules

module load gaussian gui

Start a GUI session

Example: running Gaussview with 1 CPU, 8gb of memory, 4 hours of run time
- ```
gui start -e gv -c 1 -m 8 -t 4
```
Note: Give the session from few seconds to a couple of minutes to start if the output is empty.
- ```
$ gui show
```

The output will look similar to the following e.g. with 1 active sessions and real passwords listed instead of 'REDACTED' in the example:

Expand this section to view sample output.

Current GUI sessions:
______________________________________________________________________________
#:  JobID    Application   Type  State       Reason
1: 51019979 gv            gui   RUNNING     
------------------------------------------------------------------------------
Connection URLs:
1: https://gui3.rc.ufl.edu/13132/?password=REDACTED

[[GUI_Programs#Connect_From_a_Client_Computer|Attach to the resulting xpra session from your local computer]]
______________________________________________________________________________

Please copy a connection URL and paste it into a modern web browser's
location bar on your LOCAL computer located on campus or connected via OOD

Connect To GUI Session

Attach to the job session in your local browser

Copy and paste a session URI into a modern browser (tested on Firefox and Chrome/Chromium) e.g.

https://gui3.rc.ufl.edu/13132/?password=REDACTED

As a result the browser tab becomes a 'desktop canvas' and the GUI program window should be visible and can be resized or maximized to the limits of the browser tab window as normal.

Stop GUI Session

To stop the GUI session, do the following, SessionID is the ID listed above, for example "1" in the above example.
- ```
gui stop SessionID
```

For help with running GUI programs, please refer to: [[GUI Programs|SLURM GUI Session]

@@ Line 1: / Line 1: @@
+Back to [[Gaussian]]<br>
 When starting gv via a [[GUI Programs|SLURM GUI Session]] the following steps must be taken:
@@ Line 5: / Line 6: @@
   module load gaussian gui
 === Start a GUI session ===
-:* Example: running Gaussview with 1 CPU, 8gb of memory, 4 hours of run time
+* Example: running Gaussview with 1 CPU, 8gb of memory, 4 hours of run time
- gui start -e gv -c 1 -m 8 -t 4
+**<pre>gui start -e gv -c 1 -m 8 -t 4</pre>
 * '''Note:''' Give the session from few seconds to a couple of minutes to start if the output is empty.
- $ gui show
+**<pre>$ gui show</pre>
 The output will look similar to the following e.g. with 1 active sessions and real passwords listed instead of 'REDACTED' in the example:
+<div class="mw-collapsible mw-collapsed" style="width:70%; padding: 5px; border: 1px solid gray;">
+''Expand this section to view sample output.''
+<div class="mw-collapsible-content" style="padding: 5px;">
 <pre>
 Current GUI sessions:
@@ Line 24: / Line 28: @@
 Please copy a connection URL and paste it into a modern web browser's
 location bar on your LOCAL computer located on campus or connected via OOD
-</pre>
+</pre></div></div>
 === Connect To GUI Session ===
@@ Line 34: / Line 38: @@
 === Stop GUI Session ===
 * To stop the GUI session, do the following, SessionID is the ID listed above, for example "1" in the above example.
- gui stop SessionID
+**<pre>gui stop SessionID</pre>
 '''For help with running GUI programs, please refer to: [[GUI Programs|SLURM GUI Session]'''
 __NOTOC__