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

Nikhil Maroli scinikhil at gmail.com
Sun Nov 28 10:04:51 UTC 2021


you can select the most nearest architecture or suitable arch from the list.
Refer the installation help/notes

On Sun, Nov 28, 2021 at 3:28 PM Moser Mario <mosermauer at gmail.com> wrote:

> 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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