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optimization in davidson-subspcae algorithm

  • add k continuity initialization strategy in planewave basis
  • implement heterogenous computation branching between CPU and DCU
  • implement optimized eigenvalue operations for GPU & DCU
  • implement optimized preconditioner for GPU & DCU
  • implement optimized normalization op for GPU & DCU

optimization in davidson-subspcae algorithm

- add k continuity initialization strategy in planewave basis
- implement heterogenous computation branching between CPU and DCU
- implement optimized eigenvalue operations for GPU & DCU
- implement optimized preconditioner for GPU & DCU
- implement optimized normalization op for GPU & DCU
@jieli-matrix jieli-matrix requested a review from dyzheng April 25, 2025 13:48
@mohanchen mohanchen added Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes labels Apr 28, 2025
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@jieli-matrix maybe you can directly call Daye to review your PR, I guess he is very busy.

@dyzheng
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dyzheng commented May 26, 2025

Can you fix the conflict and error in CI test for this PR @jieli-matrix

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I will fix it ASAP.

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@dyzheng dyzheng left a comment

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Please update document in input_main.md and modify at least one test case in CI test to cover these code.

@dyzheng dyzheng merged commit 6654849 into deepmodeling:develop Jun 3, 2025
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3 participants