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Feature: cusolver support for LCAO kpar

Open dzzz2001 opened this issue 9 months ago • 0 comments

What's changed?

  • add cusolver support for lcao kpar. However, tests show that on small-scale systems, using the kpar algorithm with the cusolver solver does not provide significant acceleration. Nevertheless, the kpar algorithm supports multi-GPU configurations. If your machine has multiple GPUs, there may be some speedup.

dzzz2001 avatar Apr 11 '25 08:04 dzzz2001