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Fix: Fix calculation type inconsistency across MPI ranks, so that the log file names are correct when out_alllog = 1 #6356

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merged 1 commit into from
Jul 4, 2025
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Fix: Fix calculation type inconsistency across MPI ranks, so that the log file names are correct when out_alllog = 1 #6356

merged 1 commit into from
Jul 4, 2025

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@AsTonyshment AsTonyshment commented Jul 3, 2025

Linked Issue

Fix #6352.

Added a manual broadcast for calculation type to ensure it is synchronized across MPI ranks, as it is required before the bcastfunc(param) call in ReadInput::read_parameters to create log files.

@AsTonyshment AsTonyshment requested a review from mohanchen July 3, 2025 08:43
@mohanchen mohanchen added Bugs Bugs that only solvable with sufficient knowledge of DFT Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0 and removed Bugs Bugs that only solvable with sufficient knowledge of DFT labels Jul 4, 2025
@mohanchen mohanchen merged commit 918d11b into deepmodeling:develop Jul 4, 2025
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@AsTonyshment AsTonyshment deleted the fix_out_alllog branch July 4, 2025 06:50
@AsTonyshment AsTonyshment mentioned this pull request Aug 11, 2025
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@mohanchen mohanchen mohanchen approved these changes

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Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0

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Bug: When out_alllog is enabled, output log filenames show inconsistent calculation types across MPI ranks​

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