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microsoft / Graphormer

Graphormer is a general-purpose deep learning backbone for molecular modeling.
MIT License
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Example does not work - Segmentation fault #146

Closed doloresgarcia closed 1 year ago

doloresgarcia commented 1 year ago

When running the example zinc.sh a 'Segmentation fault' appears, uninstalling setuptools is not an option (not root) , and it does not seem to solve the issue for many users. Could you provide a solution?

surajgattani commented 1 year ago

@doloresgarcia How did you solve this issue? I am getting the same error.

doloresgarcia commented 1 year ago

I resolved it by doing a careful pytorch + pytorch_geometric installation, so not using the install.sh but rather checking what pytorch works with your drivers and then following the pytorch install commands: https://pytorch.org/ and not using cuda 11.7 so my current env looks like:

torch                     1.11.0+cu113             pypi_0    pypi
torch-geometric           2.1.0.post1              pypi_0    pypi
torch-scatter             2.0.9                    pypi_0    pypi
torch-sparse              0.6.15                   pypi_0    pypi
torchaudio                0.11.0+cu113             pypi_0    pypi
torchvision               0.12.0+cu113
surajgattani commented 1 year ago

Thanks @doloresgarcia. I will try it