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Speedup LB particle coupling #4759

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merged 2 commits into from
Aug 22, 2023
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@RudolfWeeber RudolfWeeber commented Jul 21, 2023

Description of changes:

  • make LB particle coupling more efficient
  • fix LB particle coupling benchmark

RudolfWeeber and others added 2 commits August 22, 2023 19:18
* Move up halo region calculation by one level
* Only consider shifted positions for coupling if the particle is close enough to the boundary to affect a ghost layer
* Introduce a cached vector of pointers to blocks to avoid slow block iteration and position to block matching in waLBerla (partially)

The last point is relevant, because there are 16 calls per particle and time step for get_block_and_cell()
@jngrad jngrad added automerge Merge with kodiak waLBerla Issues regarding waLBerla integration labels Aug 22, 2023
@kodiakhq kodiakhq bot merged commit 8c88ccf into espressomd:python Aug 22, 2023
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