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From time to time we get stochastic test failures for the TestHarmonicOscillatorsMultiStateSampler with the following traceback:
TestHarmonicOscillatorsMultiStateSampler
Traceback (most recent call last): File "/home/runner/micromamba-root/envs/openmmtools-test/lib/python3.10/site-packages/nose/case.py", line 197, in runTest self.test(*self.arg) File "/home/runner/work/openmmtools/openmmtools/openmmtools/tests/test_sampling.py", line 230, in test_with_unsampled_states self.run(include_unsampled_states=True) File "/home/runner/work/openmmtools/openmmtools/openmmtools/tests/test_sampling.py", line 223, in run raise Exception("Dimensionless free energy difference exceeds MAX_SIGMA of %.1f" % MAX_SIGMA) Exception: Dimensionless free energy difference exceeds MAX_SIGMA of 6.0
Even if these are commonly worked around just by re-running the workflow we probably need a more robust way of testing this system.
The text was updated successfully, but these errors were encountered:
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From time to time we get stochastic test failures for the
TestHarmonicOscillatorsMultiStateSampler
with the following traceback:Even if these are commonly worked around just by re-running the workflow we probably need a more robust way of testing this system.
The text was updated successfully, but these errors were encountered: