![]() The newest version is quite similar to the old in terms of how to use it. "qstat -u paul" to show all of the jobs that the username 'paul' is running.įor detailed instructions on Gaussivew, click here. Monitor the job execution with the 'showq' and 'qstat -a' command. Where is your Gaussian command file. It will ask you a few questions (about time limits, number of cores, etc.). Then, you simply submit it to the queue with Be careful to only specify as many cores (or less) than are on the node. ![]() Where the number is how many cores you want to use (in this case 12). (if you're a GaussView user, see here for additional info for how to set this up) For CNSI and MRL members, it's also available on the Guild cluster (also to 12 cores/node). To use multiple cores you must put the following at the top of your command file. Gaussian16 is available on Knot (up to 12 cores/node), Pod (up to 40 cores/node) and Braid (varying number of cores/node). When you login, you need to 'activate' Gaussian with the command ![]() ![]() There is also information in the top of log files after a run to be aware of. UCSB has a site license for Gaussian please review the agreement(which includes information about citing the use of the program) at the link at bottom of this page. First, notify Paul Weakliem or Fuzzy Rogers that you wish to use Gaussian so your account can be enabled.
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