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Refactor checkpointing feature #4510

Merged
merged 4 commits into from
May 16, 2022
Merged

Refactor checkpointing feature #4510

merged 4 commits into from
May 16, 2022

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jngrad
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@jngrad jngrad commented May 11, 2022 •
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Description of changes:

  • Intel 19.0.x compiler errors in the LB code were addressed (reported by @pm-blanco)
  • reaction methods now generate a clear error message when an attempt is made to checkpoint them (reported by @mebrito)
  • the cell system now properly serializes its state during checkpointing, including the HybridDecomposition cell system
  • restore checkpointing of constraints, LB boundaries and auto-update accumulators when using 2 or more MPI ranks

jngrad added 2 commits May 11, 2022 18:31
@jngrad
python: Fix checkpointing regressions
90af980 
Reactions methods do not support checkpointing since the Mersenne
Twister cannot be serialized. The cell system was using incorrect
labels for the serialized cell parameters.
@jngrad
core: Fix compiler errors on Intel 19.0.x
512103b 
Several versions of the Intel compiler (e.g. 19.0.1 and 19.0.4)
don't support `constexpr void Utils::Vector<T, N>::copy_init()`
calls in a constexpr context involving an initializer list.
@jngrad jngrad requested a review from reinaual May 11, 2022 17:26
@jngrad jngrad added the BugFix label May 11, 2022
pkreissl
pkreissl previously approved these changes May 11, 2022
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Good find, fix lgtm, thanks! And also the test is a lot nicer...

@jngrad
script_interface: Re-enable checkpointing of ObjectList
a4e28bc 
Affects constraints, LB boundaries and auto-update accumulators.
@jngrad jngrad changed the title Checkpointing fixes and Intel compiler support Refactor checkpointing feature May 12, 2022
@jngrad jngrad added this to the Espresso 4.2 milestone May 12, 2022
@jngrad jngrad mentioned this pull request May 12, 2022
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jngrad commented May 16, 2022

This PR is a requirement for an upcoming PR (mostly ready) that will refactor the cell system script interface.

@jngrad jngrad added the automerge Merge with kodiak label May 16, 2022
@kodiakhq kodiakhq bot merged commit 60e8fd3 into espressomd:python May 16, 2022
@jngrad jngrad deleted the checkpointing_fixes branch May 16, 2022 09:25
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@reinaual reinaual reinaual approved these changes

@pkreissl pkreissl pkreissl left review comments

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automerge Merge with kodiak BugFix Core Python
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