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Improve DLA-Future integration#4169

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oschuett merged 14 commits intocp2k:masterfrom
RMeli:dlaf-no-init
Apr 30, 2025
Merged

Improve DLA-Future integration#4169
oschuett merged 14 commits intocp2k:masterfrom
RMeli:dlaf-no-init

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@RMeli RMeli commented Apr 25, 2025

This PR polishes the integration of DLA-Future in CP2K.

  • Initialize DLAF only if needed (avoids needless pika/DLAF warnings)
  • Create DLAF grids only if needed (they are cached, and freed at the very end)
  • Allows to enable/disable DLAF for Cholesky decomposition
  • Adds threshold for Cholesky decomposition

@RMeli RMeli marked this pull request as draft April 25, 2025 14:56
@RMeli RMeli marked this pull request as ready for review April 25, 2025 19:13
@RMeli RMeli marked this pull request as draft April 25, 2025 22:21
@RMeli RMeli marked this pull request as ready for review April 28, 2025 13:56
@RMeli RMeli requested a review from oschuett April 29, 2025 15:51
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Nice improvements!

@oschuett oschuett merged commit ff5662e into cp2k:master Apr 30, 2025
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@RMeli RMeli deleted the dlaf-no-init branch April 30, 2025 18:09
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2 participants