Can't Gromacs on WSL2 still recognize GPU?

GROMACS version:
GROMACS modification: Yes/No
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I think to install Gromacs on windows with GPU(NVIDIA P4000) . If possible, I want to run gromacs on Linux(WSL2).
However, according to the post below, WSL2 supports CUDA but GROMACS on WSL2 still cannot recognize GPU, right?

If so, I’m going to follow this instruction for native installation on windows.

Is this ​the best way I can try now?

Unfortunately we do not have CI testing or a GROMACS developer/maintainer regularly testing WSL +/- CUDA, so you’ll have to rely on the community documentation.

As far as I know, CUDA applications should work on WSL2 and I have seen announcements about NVIDIA driver improvements too.

I suggest to start with getting the NVIDIA SDK samples to work on WSL2, then try to build and run GROMACS.

Please report back your findings!


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Thank you for the kind suggestion.
I decided to install GROMACS natively on windows because I’m in hurry to use it. I hope someone may try installation on WSL2 soon.

win11 planning to integrate cuda computing in the future dont expect from win10. Also i didnt see any plan for OpenCL gpu computing on WSL2