Add eddiag error handling and fix AMIN error handling in VaspErrorHandler #302
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…eddrm handler to avoid custodian inducing algo_tet errors
janosh
reviewed
Nov 6, 2023
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This looks like an accidental addition?
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Yes it's Dropbox's way of resolving internet failures
Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## master #302 +/- ##
==========================================
+ Coverage 65.35% 65.56% +0.20%
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Files 54 54
Lines 5536 5546 +10
==========================================
+ Hits 3618 3636 +18
+ Misses 1918 1910 -8 ☔ View full report in Codecov by Sentry. |
janosh
reviewed
Nov 14, 2023
| @@ -548,6 +548,38 @@ def test_read_error(self): | |||
| assert dct["errors"] == ["read_error"] | |||
| assert dct["actions"] is None | |||
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| def test_amin(self): | |||
| # Cell with at least one dimension >= 50 A, but AMIN > 0.01, and calculation not yet complete | |||
| shutil.copy("INCAR.amin", "INCAR") | |||
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This overwrites the existing INCAR that was copied to tmp_path by setUP which might cause the downstream test failure.
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Key additions:
eddiagerrors, which have a message that is more generic than thezheeverror message (indicates that any ofZHEEV/ZHEEVX/DSYEV/DSYEVXfailed)AMINerrors (unit cells with at least one dimension greater than 50 Å) when calculation hasn't failedALGO in [ALL, DAMPED]when ISMEAR < 0