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OpenMM runner fails with more verbosity #20

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Oct 9, 2023
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@jbarnoud jbarnoud commented Oct 9, 2023

When the simulation fails in the OpenMM runner, it may appear as just a freeze with no explanation. This is because the simulation would fail on a separate thread. This commit adds prints in the simulation thread, so the cause of the failure appears somewhere.

This is a workaround and it should be solved in a better way. If the simulation fails, it should cause the server to stop with a proper error message. See #19.

When the simulation fails in the OpenMM runner, it may appear as just a
freeze with no explanation. This is because the simulation would fail on
a separate thread. This commit adds prints in the simulation thread, so
the cause of the failure appears somewhere.

This is a workaround and it should be solved in a better way. If the
simulation fails, it should cause the server to stop with a proper error
message.
@jbarnoud jbarnoud merged commit 93702d1 into main Oct 9, 2023
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