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Improve RunVaspCustodian to store standard error output #297

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mkhorton opened this issue Jun 18, 2019 · 3 comments
Open

Improve RunVaspCustodian to store standard error output #297

mkhorton opened this issue Jun 18, 2019 · 3 comments
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improvement reported issues that considered further improvement to atomate

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@mkhorton
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Often XMLValidationErrors are actually the result of some other issue that's been reported in std_err.txt, it would be useful to include this in the stored_data also for easier inspection.

@janosh
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janosh commented Jul 13, 2021

Came here to suggest the same thing. :)

@janosh
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janosh commented Jul 15, 2021

Actually, can't this be done with Fireworks trackers? Something like

from atomate.vasp.powerups import add_trackers

wf = add_trackers(wf, ["std_err.txt"], nlines=50)

@mkhorton
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Yes, trackers are designed for this purpose in general. I still think XMLValidationError could be improved however, because it essentially contains zero information right now.

@itsduowang itsduowang added enhancement improvement reported issues that considered further improvement to atomate and removed enhancement labels Feb 8, 2022
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