[CP2K-user] [CP2K:16307] Re: How to enable cuBlas in CP2K?

[Alfio Lazzaro]

I'm not sure I understand your request. ACC is libcusmm (no libsmm), i.e. 
the CUDA version, which calls cublas for large kernels. For small kernels 
(80x80 matrix size), libcusmm outperforms cuBLAS. Please try to elaborate 
more on what you want to achieve.

Best regards,

Alfio

Il giorno mercoledì 24 novembre 2021 alle 09:05:42 UTC+1 qiy... at gmail.com 
ha scritto:

> Hi, CP2K developers and users,
>        I have successfully compiled the GPU version of CP2K,  The DBCSR 
> STATISTICS shows that all of the matmuls are calculated through ACC, which 
> represents for libsmm, but I want to test the performance of cuBLAS.  
> Anyone help?
>
> Best Wishes
> Qiyu8
>

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