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@lohedges lohedges commented Nov 6, 2025

This PR closes #467 by correcting setting the platform device index based on the number of entries in the CUDA_VISIBLE_DEVICES environment variable, not the values in variable itself. I've tested that this works correctly on neogodzilla.

  • I confirm that I have merged the latest version of devel into this branch before issuing this pull request (e.g. by running git pull origin devel): [y]
  • I confirm that I have added a test for any new functionality in this pull request: [y]
  • I confirm that I have added documentation (e.g. a new tutorial page or detailed guide) for any new functionality in this pull request: [y]
  • I confirm that I have permission to release this code under the GPL3 license: [y]

@lohedges lohedges requested a review from mb2055 November 6, 2025 11:18
@lohedges lohedges added the bug Something isn't working label Nov 6, 2025
@lohedges lohedges temporarily deployed to biosimspace-build November 6, 2025 11:18 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build November 6, 2025 11:18 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build November 6, 2025 11:18 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build November 6, 2025 11:18 — with GitHub Actions Inactive
@lohedges lohedges merged commit b3c8aea into devel Nov 6, 2025
4 of 5 checks passed
@lohedges lohedges deleted the fix_467 branch November 10, 2025 13:53
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[BUG] Fix OpenMM GPU device index.

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