...
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bjobs (shows your current list of batch jobs and jobIds) bjobs -d (shows list of your recently completed batch jobs) bjobs -u all | grep suncat (show jobs of all users in the suncat queues) bpeek <jobId> (examine logfile output from job that may not have been flushed to disk) bkill <jobId> (kill job) btop <jobId> (moves job priority to the top) bbot <jobId> (moves job priority to the bottom) bmod [options] <jobId> (modify job parameters after submission, e.g. priority (using -sp flag)) |
GPAW Memory Estimation
The get a guess for the right number of nodes to run on for GPAW, run the
following line interactively:
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gpaw-python <yourjob>.py --dry-run=<numberofnodes>
(e.g. gpaw-python graphene.py --dry-run=16)
|
Number of nodes should be a multiple of 8. This will run quickly
(because it doesn't do the calculation). Then check that the
following number is <3GiB:
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Memory estimate
---------------
Calculator 574.32 MiB
|