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Fix #6199

What's changed?

  • Introduced MPI synchronization for the ekb tensor in void Evolve_elec<Device>::solve_psi to ensure consistent data across processes in parallel computations.
  • Reactivated a previously commented-out GPU CI/CD test case (07_NO_EDM_TDDFT_GPU), indicating it is now functional again.

@AsTonyshment AsTonyshment requested a review from mohanchen July 3, 2025 03:11
@mohanchen mohanchen added Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes labels Jul 3, 2025
@mohanchen mohanchen merged commit 4b15663 into deepmodeling:develop Jul 4, 2025
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@AsTonyshment AsTonyshment deleted the fix_TDDFT_GPU_EDM_force branch July 4, 2025 06:50
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Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes

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RT-TDDFT CI/CD test case 07_NO_EDM_TDDFT shows inconsistent results between CPU and GPU devices

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