Perf: optimize cuda version of cal_force_cc #6450
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mohanchen
approved these changes
Aug 26, 2025
mohanchen
added
Refactor
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What's changed?
cal_force_ccfunction.When testing the Si-512 example from issue LCAO too slow on GPU, an example from Si with 512 atoms #6380 on an RTX 3090 GPU, the execution time of
cal_force_ccfunction is reduced from 6.87s to 3.57s.