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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 · Fixed by #278
Closed

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

a-ws-m opened this issue Sep 4, 2023 · 1 comment · Fixed by #278
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bug scripts
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0.9.0

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

@a-ws-m a-ws-m mentioned this issue Jan 31, 2024
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@orbeckst orbeckst linked a pull request Oct 9, 2024 that will close this issue
Fix stage checking #278
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@orbeckst orbeckst added this to the 0.9.0 milestone Oct 10, 2024
orbeckst added a commit to a-ws-m/MDPOW that referenced this issue Oct 11, 2024
@orbeckst
allow restarting after an error
bb6efa2 
- fix Becksteinlab#272
- JournalSequenceError was raised if there was any incomplete stage, even if the stage that you are trying to start is the incomplete one
- add tests for mdpow.restart
- clarified docs for Journal and Journalled
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Fix stage checking a-ws-m/MDPOW
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