[CP2K-user] 自动回复: [CP2K:16313] CP2K on gpu

[Moser Mario]

Thank you very much for your answer.
I see that for the gpu you have to chose one of these values : K20X, K40, 
K80, P100, V100. 
Does it mean that cp2k only supports these gpu and no other ? (on my 
personnal computer i have a nvidia 2080TI and on the cluster at the lab 
nvidia A4).

Best regards,

Mario

Le jeudi 25 novembre 2021 à 10:06:07 UTC+1, Alfio Lazzaro a écrit :

> Actually, CP2K has other GPU accelerated part with the v8.2.
> Please, refer to the relevant INSTALL.md 
> <https://github.com/cp2k/cp2k/blob/master/INSTALL.md#2j-cuda-optional-improved-performance-on-gpu-systems> . 
> I do recommend to use the toolchain installation to get the correct CUDA 
> installation of CP2K.
>
> Best regards,
>
> Alfio
>
> Il giorno mercoledì 24 novembre 2021 alle 08:52:15 UTC+1 qiy... at gmail.com 
> ha scritto:
>
>>
>> Have you checked this URL <https://www.cp2k.org/howto:compile_with_cuda>? 
>> currently only DBCSR is running on GPU, make sure your simulations uses 
>> that.
>> 在2021年11月20日星期六 UTC+8 01:33:43<7510... at qq.com> 写道：
>>
>>> 你好，我已收到邮件~谢谢
>>
>>

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