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lanl / qmd-progress

PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
https://qmd-progress.readthedocs.io/
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Code optimizations #289

Closed mewall closed 6 months ago

mewall commented 6 months ago

o GPU performance improvement by copying entire matrices instead of a row at a time GPU <--> CPU o Vectorization of get_ewald_list_real_dcalc() in new subroutine get_ewald_list_real_dcalc_vect()

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