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Simulation stages cannot be restarted in case of an error #272

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a-ws-m opened this issue Sep 4, 2023 · 1 comment
Open

Simulation stages cannot be restarted in case of an error #272

a-ws-m opened this issue Sep 4, 2023 · 1 comment

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@a-ws-m
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a-ws-m commented Sep 4, 2023

mdpow.restart.start() raises a JournalSequenceError if there is any incomplete stage, even if the stage that you are trying to start is the incomplete one:

JournalSequenceError: Cannot start stage MD_NPT because previously started stage MD_NPT has not been completed.

I think the check should pass if stage == self.current, as well.

@orbeckst
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Yes, that sounds like a logic error in the code.

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