Differences

This shows you the differences between two versions of the page.

--- software:gaussian:caviness [2020-08-28 18:35] – [Gaussian on Caviness] anita
+++ software:gaussian:caviness [2020-09-10 11:24] – [GaussView] anita
@@ Line 1: / Line 1: @@
-====== Gaussian on Caviness ======
+====== Gaussian and GaussView on Caviness ======
-A Slurm job submission script template for batch Gaussian jobs is available at ''/opt/templates/slurm/applications/gaussian.qs''.  Copy and edit the template based on your job's resource needs; the comments in the template describe each Slurm option and environment variable present.  At the very least, the Gaussian input file variable must be altered accordingly:
+A Slurm job submission script template for batch Gaussian jobs is available at ''/opt/templates/slurm/applications/gaussian.qs''.  Copy and edit the template based on your job's resource needs; the comments in the template describe each Slurm option and environment variable present.
+<note tip>It is a good idea to periodically check ''/opt/templates/slurm/applications'' for changes in existing templates, or the addition of new templates, designed to provide the best performance for a particular version of Gaussian on that cluster.</note>
+At the very least, the Gaussian input file variable must be altered accordingly:
 <code>
@@ Line 48: / Line 52: @@
 </code>
-The fix described on [[https://ps.uci.edu/greenplanet/Gaussian%20OSX%20error | using Gaussian Remotely via Mac OS X]] resulted in no more crash.  The ''enable_iglx'' flag is documented more extensively in [[https://www.visitusers.org/index.php?title=Re-enabling_INdirect_glx_on_your_X_server|Re-enabling INdirect GLX on your X server]].
+or you may experience a "blank white square" X-window on the display rather than opening all the corresponding GUI X-windows for gview.
+The fix described on [[https://ps.uci.edu/greenplanet/Gaussian%20OSX%20error | using Gaussian Remotely via Mac OS X]] resulted in no more crash nor the "blank white square" X-window.  The ''enable_iglx'' flag is documented more extensively in [[https://www.visitusers.org/index.php?title=Re-enabling_INdirect_glx_on_your_X_server|Re-enabling INdirect GLX on your X server]].