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
Set the number of cpus
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
-
sunxl
- Posts: 38
- Joined: Wed Aug 14, 2024 8:05 am
- Location: China
Set the number of cpus
Dr. sunxl
Beijing Computing Science Research Center, China.
Beijing Computing Science Research Center, China.
-
Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Set the number of cpus
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
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/