Fix: remove unnecessary gpu memory allocation under LCAO basis #5258
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caic99
approved these changes
Oct 17, 2024
mohanchen
approved these changes
Oct 17, 2024
Fisherd99
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Mar 31, 2025
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Linked Issue
Fix #4442
According to my test on tests/performance/si128, apart from the gint module and the hsolver module, no GPU memory is allocated for other modules under the LCAO basis after this PR, the nsight profiling result about gpu memory consumption is listed below:
before this PR:
after this PR: