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yuanyue-liu-group / CP-VASP

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Question about using the GPU version of VASP #3

Open LiYumeng-HIT opened 1 week ago

LiYumeng-HIT commented 1 week ago

Dear Professor Liu’s Group,

I encountered an error while attempting to install version 1.0 of the CP-VASP, and I discovered that this was due to the GPU version of VASP not supporting vaspsol installation. I would like to ask if, with the release of version 2.0 of CP-VASP, there is now support for vaspsol++. Specifically, does vaspsol++ support the GPU version of VASP?

Best regards, Yumeng Li

ZLevell commented 1 week ago

Dear Yumeng Li,

Thanks for reaching out. So far, we have only tested CP-VASP with CPU. It seems that the VASPsol++ developers may have made a version that is GPU compatible (https://github.com/VASPsol/VASPsol/issues/3) that you might be able to request from them. If you're able to compile VASPsol++ on GPU but installing CP-VASP fails, please let us know!