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Published 20 hours ago • verified publisher icon aqlaboratory

CUDA Error in openmm

Open YiningWang2 opened this issue 2 years ago • 2 comments

Hi, when i used openmm to relax the structure, i sometimes met a cuda error as metioned below. Could anyone give me a help? Error loading CUDA module: CUDA_ERROR_UNSUPPORTED_PTX_VERSION (222)

YiningWang2 avatar May 09 '22 05:05 YiningWang2

Hm I haven't seen this one before. This thread indicates that it might have something to do with your CUDA version?

gahdritz avatar May 09 '22 20:05 gahdritz

Hi, when i used openmm to relax the structure, i sometimes met a cuda error as metioned below. Could anyone give me a help? Error loading CUDA module: CUDA_ERROR_UNSUPPORTED_PTX_VERSION (222)

I met the same problem. After searching, I think this may related to the CUDA version with openmm. This is the issue

However, I'm working on a cluster, which means I couldn't change my CUDA version as I want, so there might be a solution that a so-called cuda-compat could be added. But I couldn't find ways to install it.

If you have had any solutions, please let me know! Thank you!

zhoubay avatar Sep 03 '22 09:09 zhoubay