GAUSSIAN![]() |
|||
![]() |
![]() |
![]() |
![]() |
Running GAUSSIAN on cposs or xenonRunning GAUSSIAN on Xenon no longer requires a runscript. You need to be in the directory where you have your .com file. The .com file needs to have a line such as %NProc=1 at the top (all the examples provided on Xenon have this).
If you need to resubmit the job, this can be done from the submission script generated, but you MUST NOT change the number of processors or the queues get oversubscribed. | |||
© UCL Chemistry Department 2022. This page was last updated on 17 August, 2022. If you have any problems with this page please email the WebMaster |