MolSSI / QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).
https://molssi.github.io/QCEngine/
BSD 3-Clause "New" or "Revised" License
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List out GPUs in system configuration #329

Open WardLT opened 2 years ago

WardLT commented 2 years ago

Is your feature request related to a problem? Please describe. We do not list any GPUs on a system when we record the system configuration. These are needed for provenance purposes.

Describe the solution you'd like Be able to detect GPUs.

Describe alternatives you've considered Add recording the GPU to specific qcengine drivers (e.g., torchani) that use GPUs. However, that seems like we'd end up repeating ourselves for each driver and recording system configuration.

Additional context Inspired by #327