[CP2K-user] [CP2K:20274] Re: Finding GPU Ver

Frederick Stein f.stein at hzdr.de
Tue Jun 4 16:20:40 UTC 2024


Dear Lenard,
I have just checked the architecture information of this GPU. It employs 
the Ampere one. For your CP2K version, there are no special parameters for 
Ampere-based GPUs, so I would choose the V100 instead.
HTH,
Frederick

Lenard Carroll schrieb am Dienstag, 4. Juni 2024 um 18:06:21 UTC+2:

> Good day, I am using two Nvidia Geforce RTX 3070 Ti GPUs for my 
> workstation, and I would like to compile CP2K for use with a GPU. I am not 
> sure which of the gpu versions are ideal to use with these GPUs, I would 
> appreciate some guidance please.
>
> K20X, K40, K80, P100, V100, Mi50, Mi100, Mi250
>

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