[CP2K-user] [CP2K:18752] Possibility of setting an core based memory limit for CP2K calculations
jayjohal8 at gmail.com
Tue May 2 12:26:30 UTC 2023
Apologies if this is in the manual and I've missed it but I'm trying to run
a set of high throughput cp2k 8.2 calculations as part of a method I'm
developing but the HPC facility I am using only has 2GB of memory per core.
I was wondering if it was possible to limit the memory used by cp2k per
calculation as currently the cp2k portion of the method is using ~4GB which
is then causing issues with other processes. I ideally don't want to change
my functional or basis set.
All the best,
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