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Improve LB GPU and thermostats API #5014

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merged 3 commits into from
Nov 21, 2024
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@jngrad jngrad commented Nov 15, 2024

Description of changes:

  • LB GPU now supports VTK output
  • LB GPU total pressure tensor and total momentum are now significantly faster
  • thermostat parameter gamma is now required
    • fixes a regression introduced in the last thermostat API refactoring

Properly handle null values for kT and friction coefficients.
Make friction coefficients required parameters.
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@jngrad jngrad marked this pull request as ready for review November 15, 2024 18:15
@jngrad jngrad added ScriptInterface waLBerla Issues regarding waLBerla integration Performance labels Nov 15, 2024
@jngrad jngrad requested a review from hidekb November 15, 2024 18:15
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hidekb commented Nov 20, 2024

Looks Good To Me. However, there is one question. The function set in some files generated_kernels/FieldAccessors* is simply moved to under the function std::vector<*> get. Does it mean anything?

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jngrad commented Nov 20, 2024

Looks Good To Me. However, there is one question. The function set in some files generated_kernels/FieldAccessors* is simply moved to under the function std::vector<*> get. Does it mean anything?

This move has no consequences. I re-ordered functions in the template files a while ago to make CPU and GPU header files more consistent and reduce the size of the diff between them, and forgot to push the regenerated kernels back then. Sometimes when regenerating the collide and stream kernels, the variables can also be re-ordered by pystencils, making the diff difficult to inspect.

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I understand. LGTM

@jngrad jngrad requested a review from RudolfWeeber November 20, 2024 15:16
@jngrad jngrad added the automerge Merge with kodiak label Nov 21, 2024
@kodiakhq kodiakhq bot merged commit a8a00a0 into espressomd:python Nov 21, 2024
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@jngrad jngrad deleted the lb_gpu branch November 21, 2024 14:51
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3 participants