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Perf&Refactor: optimize the performanace of psi_initializer with omp #5146

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merged 18 commits into from
Sep 24, 2024

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@kirk0830 kirk0830 commented Sep 20, 2024

Linked Issue

Fix #5123

Presently the improvement in performace seems limited:
image

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 ...

@kirk0830 kirk0830 changed the title Perf: optimize the performanace of psi_initializer with omp Perf&Refactor: optimize the performanace of psi_initializer with omp Sep 23, 2024
@kirk0830 kirk0830 marked this pull request as ready for review September 23, 2024 08:02
@mohanchen mohanchen added the Performance Issues related to fail running ABACUS label Sep 23, 2024
@mohanchen mohanchen merged commit eab9d73 into deepmodeling:develop Sep 24, 2024
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@kirk0830 kirk0830 deleted the psiinit-omp-1 branch September 24, 2024 05:58
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Perf: use OpenMP to optimize the performance of PW wavefunction initialization procedure
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