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                                            bartosz mazur

CP2K jobs slower with higher number of cores per worker

Hi @svandenhaute, apologies for the long silence. I'm still facing this problem, I've tried to calculate SP with cp2k container (oras://ghcr.io/molmod/cp2k:2023.2) and calculations finished in ~1 min (so the good...

CP2K jobs slower with higher number of cores per worker

I was also wondering about using the new CP2K container in psiflow 3.0.3. Is this possible?

CP2K jobs slower with higher number of cores per worker

Great to hear! I'll wait for the next release then. Thanks a lot for your help and quick reply.

CP2K jobs slower with higher number of cores per worker

At first glance I can't find any mention of incremental learning in the examples and documentation. Does this mean that it is not yet available or can I do this...