Refactor: reduce the memory consumption of cal_gint_vlocal #6069
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mohanchen
approved these changes
Mar 28, 2025
Fisherd99
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Mar 31, 2025
…ing#6069) * reduce the memory consumption of cal_gint_vlocal * fix a bug
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Background
The original
cal_gint_vlocalfunction had each thread duplicate an entire HR matrix to avoid data races, which could lead to high memory usage. This PR replaces that approach with locks to prevent data races, reducing memory consumption but at the cost of some computational efficiency. Testing shows that the calculation efficiency ofcal_gint_vlocalmay decrease by approximately 10%.Perf comparison
Below are the comparison results of testing the si128 example under
tests/performance/on my computer.