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Failing test_unsampled_endstate_energies_GPU test #63

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mikemhenry opened this issue Aug 27, 2024 · 0 comments
Open

Failing test_unsampled_endstate_energies_GPU test #63

mikemhenry opened this issue Aug 27, 2024 · 0 comments

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@mikemhenry
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https://github.com/choderalab/feflow/actions/runs/10568741783/job/29280367490#step:12:229

CustomBondForce -- og: 1.202564209842656, 
hybrid:                1.2026857999595004

This isn't "close enough", do we need to relax that check or do we expect an absolute difference less than 0.000122
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@mikemhenry