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Fix: add MPI_Finalize in QUIT function #5505

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kirk0830 wants to merge 2 commits into deepmodeling:develop from kirk0830:tool-quit-1

+70 −78

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kirk0830 commented Nov 15, 2024

Reminder

Have you linked an issue with this pull request?
Have you added adequate unit tests and/or case tests for your pull request?
Have you noticed possible changes of behavior below or in the linked issue?
Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Unit Tests and/or Case Tests for my changes

A unit test is added for each new feature or bug fix.

What's changed?

Example: My changes might affect the performance of the application under certain conditions, and I have tested the impact on various scenarios...

Any changes of core modules? (ignore if not applicable)

Example: I have added a new virtual function in the esolver base class in order to ...


          add MPI_Finalize in QUIT function

b0ddd17

kirk0830 requested review from dyzheng and caic99

November 15, 2024 07:51


          Merge branch 'develop' into tool-quit-1

660d8c2

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