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Perf Comparison

test case: test-case.zip
The table below summarizes the time cost by the calculate_HR function.

before after
OMP=6 mpi=1 31.00s 6.13s
OMP=12 mpi=1 32.38s 3.82s

@dzzz2001 dzzz2001 requested a review from mohanchen February 28, 2025 08:08
@mohanchen mohanchen added GPU & DCU & HPC GPU and DCU and HPC related any issues Refactor Refactor ABACUS codes labels Feb 28, 2025
@mohanchen mohanchen merged commit 34db426 into deepmodeling:develop Feb 28, 2025
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Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
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GPU & DCU & HPC GPU and DCU and HPC related any issues Refactor Refactor ABACUS codes

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