[CP2K-user] 自动回复: [CP2K:16308] CP2K on gpu

Alfio Lazzaro alfio.lazzaro at gmail.com
Thu Nov 25 09:06:07 UTC 2021

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,


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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