🐛 [BUG] NequIP running problem on A100 machine about nequip HOT 5 CLOSED

Hi @QuantumMisaka ,

You should install PyTorch 1.11.0 with CUDA 11.*, see https://pytorch.org/get-started/previous-versions/#v1110.

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Hi @Linux-cpp-lisp
I know that the problem mainly lies in CUDA and the CUDA version should be 11.*, however there is still something strange. I directly used pip install <source-code> to install from source-code to a newly-created conda-based python env, from the output infomation, cudatoolkit-11.7 was installed, but the error was still there after I did pip install --upgrade torch

Will the problem lies in the process of pip install ?

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What is here?

For what its worth, I always install PyTorch itself with conda rather than pip, but not necessarily because pip is wrong...

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PyTorch-1.12.1 with cudatoolkit-11.6 installed by conda can run NequIP successfully.
This problem seems to be in pip installation

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Great, glad to hear!

Please note that we generally only recommend PyTorch 1.11 right now due to the PyTorch bug described in: #311 (reply in thread).

If you see behavior like this it can be resolved by switching to 1.11; if you don't please consider commenting on that issue so we can get a better sense of the scope of this problem and how it might be mitigated. Thanks!

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