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Merged
amartyads merged 12 commits into from
Jul 25, 2025
Merged

Kokkos loops replacing older OpenMP constructs #111

amartyads merged 12 commits into from
Jul 25, 2025

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@amartyads amartyads commented Jul 24, 2025 •
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In this PR I naively replace the old OpenMP constructs with the new Kokkos constructs. Only the lennard-jones functors are running in parallel, and it has only been tested on CPU, but it works on tested machines.

Salient points:

  1. the boolean useOpenMP is now removed from all mappings
  2. mappings call the serial or parallel version, determined at runtime
  3. all mappings have a static boolean signifying whether the mapping should be run in parallel or serial
  4. traversals are separated into serial and parallel versions

@amartyads amartyads requested review from Thinkpiet and rubenhorn July 24, 2025 16:25
@amartyads amartyads changed the base branch from master to refactor2507-WIP July 24, 2025 16:27
@Thinkpiet Thinkpiet changed the base branch from refactor2507-WIP to master July 25, 2025 07:51
@Thinkpiet Thinkpiet marked this pull request as draft July 25, 2025 08:03
@Thinkpiet Thinkpiet marked this pull request as ready for review July 25, 2025 08:03
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github-actions bot commented Jul 25, 2025

You should write tests for:
Filename Line Coverage Functions
coupling/sendrecv/SendReceiveBuffer.cpph 9.10% 21.40%
coupling/interface/MDSimulationFactory.h 69.20% 100.00%
coupling/interface/impl/SimpleMD/SimpleMDSimulation.h 45.30% 73.30%
coupling/interface/impl/SimpleMD/SimpleMDSolverInterface.h 10.10% 9.10%
coupling/InstanceHandling.h 87.60% 100.00%
coupling/NieVelocityImposition.h 0.00% 0.00%
coupling/filtering/filters/NLM.cpph 0.00% 0.00%
coupling/solvers/LBCouetteSolver.h 79.30% 81.80%
coupling/solvers/LBCouetteSolverState.cpp 69.20% 100.00%
coupling/indexing/IndexingService.cpp 89.10% 75.00%

@Thinkpiet Thinkpiet changed the base branch from master to refactor2507-WIP July 25, 2025 08:11
@amartyads amartyads merged commit 7ccee8d into refactor2507-WIP Jul 25, 2025
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@amartyads amartyads deleted the refactor-2507-kokkos-WIP branch July 31, 2025 10:33
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@rubenhorn rubenhorn rubenhorn approved these changes

@Thinkpiet Thinkpiet Thinkpiet approved these changes

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@amartyads @rubenhorn @Thinkpiet