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Set the number of cpus

Posted: Sun Apr 06, 2025 4:30 am
by sunxl
Dear all,

When I use yambo_rt to calculate the collision, for example, I use 300cpus to calculate, and the calculation stops in the middle due to memory problems, so I use 200cpus to calculate the previous result, and finish the collision calculation, will the number of cpus changed in the middle affect the result? Since I have encountered such problems in other software before, I would like to ask whether yambo will be like this. I hope my consideration is overcautious.

Thank you in advance for your help!

Best,
sunxl

Re: Set the number of cpus

Posted: Mon Apr 07, 2025 9:32 am
by Daniele Varsano
Dear Sunxl,
I'm not an expert of the RT part. Anyway if the previous generated database are read correctly (you can check this in the report), the calculation should be not affected.

Best,

Daniele