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Improve benchmark scripts #4753

Merged
merged 1 commit into from
Jul 18, 2023
Merged

Improve benchmark scripts #4753

merged 1 commit into from
Jul 18, 2023

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jngrad
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@jngrad jngrad commented Jul 18, 2023

Follow up to our work with HPC Vega and the EESSI project.

Description of changes:

  • add GPU support in P3M and LB
  • remove MASS dependency in P3M
  • adjust steepest descent for large particle numbers

Also remove the MASS feature from the P3M test and do some cleanup.
@jngrad jngrad added this to the ESPResSo 4.2.2 milestone Jul 18, 2023
@jngrad jngrad requested a review from RudolfWeeber July 18, 2023 11:28
@jngrad jngrad added the automerge Merge with kodiak label Jul 18, 2023
@kodiakhq kodiakhq bot merged commit 6a56470 into espressomd:python Jul 18, 2023
@jngrad jngrad deleted the benchmarks branch July 18, 2023 13:50
jngrad pushed a commit to jngrad/espresso that referenced this pull request Jul 18, 2023

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jngrad Jean-Noël Grad
Follow up to our work with HPC Vega and the EESSI project.

Description of changes:
- add GPU support in P3M and LB
- remove MASS dependency in P3M
- adjust steepest descent for large particle numbers
jngrad pushed a commit to jngrad/espresso that referenced this pull request Jul 18, 2023
Follow up to our work with HPC Vega and the EESSI project.

Description of changes:
- add GPU support in P3M and LB
- remove MASS dependency in P3M
- adjust steepest descent for large particle numbers
jngrad pushed a commit to jngrad/espresso that referenced this pull request Jul 18, 2023
Follow up to our work with HPC Vega and the EESSI project.

Description of changes:
- add GPU support in P3M and LB
- remove MASS dependency in P3M
- adjust steepest descent for large particle numbers
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