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Bugs: the results of different parallel schemes vary greatly for LCAO calculations #4122
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High Priority
Bugs which needs to be fixed ASAP.
Comments
As for different version: see link. For v3.3.2, the results of
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@Qianruipku
For 2ffa3d4:
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I've got two questions:
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Describe the bug
During the test of issue #4058, I find results of different parallel settings are totally different for same INPUT:
see more in link
Expected behavior
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To Reproduce
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Environment
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Additional Context
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Task list for Issue attackers (only for developers)
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