[CP2K-user] [CP2K:18752] Possibility of setting an core based memory limit for CP2K calculations

jay johal jayjohal8 at gmail.com
Tue May 2 12:26:30 UTC 2023

Hi all,

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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