NREL / HPC

A collection of various resources, examples, and executables for the general NREL HPC user community's benefit. Use the following website for accessing documentation.
https://nrel.github.io/HPC/
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VASP on Vermillion: 60 tasks currently cannot be used in example scripts #511

Open tayloraubry opened 9 months ago

tayloraubry commented 9 months ago

To do: Either modify scripts or revisit system-level change to how the CPUs are made available

Copying comment from John McFarland: "Srun with -n 60 failed due to a resources not available error. I believe this is due to the change where one CPU has been reserved. I have mixed feelings about how best to address this in the documentation. For running on lg, the fix was to use -n 59 (or less). On one hand, the script won't currently run as shown. On the other hand, I wonder if the system-level change to how the CPUs are made available should be revisited."