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[Feature Request]: Better error reporting than `VasprunXMLValidator` error upon a crash

Open Andrew-S-Rosen opened this issue 7 months ago • 0 comments

Problem

When a VASP job fails for reasons that Custodian cannot fix, we get the VasprunXMLValidator ValidationError that everyone knows and loves. This is in principle fine, but new users often get confused by this since it's not clear to them what this error means. We should probably return a clearer error message, informing the user that Custodian could not succeed in completing the job and that they should investigate the stderr, OUTCAR, etc.

Migrated from https://github.com/materialsproject/.github/issues/2 where I posted by mistake.

Proposed Solution

Catch the ValidationError and provide a clearer message for the user.

Andrew-S-Rosen avatar Jun 12 '25 01:06 Andrew-S-Rosen