RosettaCommons / RosettaCommons/RFdiffusion

/usr/local/lib/python3.9/dist-packages/e3nn/o3/_spherical_harmonics.py:82: UserWarning

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Description

I am getting this strange error, and despite that RFdifusion actually seem to run fine. I still get output structures that looks correct. Is that something I should be concerned over?

/usr/local/lib/python3.9/dist-packages/e3nn/o3/_spherical_harmonics.py:82: UserWarning: FALLBACK path has been taken inside: compileCudaFusionGroup. This is an indication that codegen Failed for some reason.
To debug try disable codegen fallback path via setting the env variable `export PYTORCH_NVFUSER_DISABLE=fallback`
To report the issue, try enable logging via setting the envvariable ` export PYTORCH_JIT_LOG_LEVEL=manager.cpp`
 (Triggered internally at  ../torch/csrc/jit/codegen/cuda/manager.cpp:237.)
  sh = _spherical_harmonics(self._lmax, x[..., 0], x[..., 1], x[..., 2])
mv: cannot move './outputs/2024-02-06' to './2024-02-06': Directory not empty

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Research direction

Start by reproducing the run that emits the warning from e3nn/o3/_spherical_harmonics.py:82. Try the mentioned PYTORCH_NVFUSER_DISABLE=fallback and PYTORCH_JIT_LOG_LEVEL=manager.cpp settings, and separately inspect the mv error for the non-empty output directory. Done means identifying whether either message affects generated structures and documenting a reproducible cause or resolution.

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Assessment

Tech stack
python, pytorch
Domain
machine-learning
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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