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Improve RunVaspCustodian to store standard error output

Open mkhorton opened this issue 6 years ago • 3 comments

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.

mkhorton avatar Jun 18 '19 18:06 mkhorton

Came here to suggest the same thing. :)

janosh avatar Jul 13 '21 10:07 janosh

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)

janosh avatar Jul 15 '21 14:07 janosh

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.

mkhorton avatar Jul 15 '21 16:07 mkhorton