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Fix: loose the threshold of the exx-nspin4-sym test case - #7715

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mohanchen merged 1 commit into
deepmodeling:developfrom
maki49:develop
Jul 31, 2026
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Fix: loose the threshold of the exx-nspin4-sym test case#7715
mohanchen merged 1 commit into
deepmodeling:developfrom
maki49:develop

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@maki49

@maki49 maki49 commented Jul 30, 2026

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The case added in #7692 has randomness due to MPI + LibRI + Pathologically small parameter for testing efficiency (ecutwfc 5, etc. ). Other EXX cases unrelated to #7692 also suffer from this randomness. We now have no idea but to enlarge the error threshold.

Here's a detailed document to explain the randomness (generated by Claude):
EXX随机性:MPI 归约不可复现——机制拆解.md

Copilot AI review requested due to automatic review settings July 30, 2026 14:51

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Copilot was unable to review this pull request because the user who requested the review has reached their quota limit.

@Growl1234

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Would suggest to open an issue to track this problem; it should be finally fixed in the future regardless.

@mohanchen

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Would suggest to open an issue to track this problem; it should be finally fixed in the future regardless.

I agree. @maki49

@mohanchen mohanchen added Refactor Refactor ABACUS codes Bugs Bugs that only solvable with sufficient knowledge of DFT Tests/Examples Issues/PR related to unit tests and integrate tests and removed Refactor Refactor ABACUS codes labels Jul 31, 2026
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Be careful, the bug may still exist.

@mohanchen
mohanchen enabled auto-merge (squash) July 31, 2026 04:31
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mohanchen disabled auto-merge July 31, 2026 04:33
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mohanchen merged commit f83f423 into deepmodeling:develop Jul 31, 2026
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4 participants