pyscf / pyscf/gpu4pyscf

Failed to set CUDA shm size 97280: named symbol not found on CUDA 12.9

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Dominant language
Cuda
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Forks
84
Avg merge
3d 2h
Merged PRs (30d)
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Description

I'm getting this error [Failed to set CUDA shm size 97280: named symbol not found] when running:

from gpu4pyscf import dft as dftgpu

CuPy itself is working fine, and a couple of commits earlier this was working. I've setup gpu4pyscf for cuda12 as well as cutensor12.

Thank you for your time.

Update: After reverting to version 1.4.0 this error does not occur.

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Research direction

Start by reproducing the failure from from gpu4pyscf import dft as dftgpu with CUDA 12.9, CuPy, and the CUDA 12/cuTENSOR 12 setup described, then compare the current version with 1.4.0 where it does not occur. Trace the code that attempts to set the CUDA shared-memory size and identify the version compatibility change; done means the import no longer reports the named-symbol error on the supported setup.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
hpc
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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