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Introduce a System class in the core #4741

Merged
merged 6 commits into from
Jun 16, 2023
Merged

Introduce a System class in the core #4741

merged 6 commits into from
Jun 16, 2023

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jngrad
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@jngrad jngrad commented Jun 9, 2023 •
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Fixes #4615

Description of changes:

  • completely rewrite the EspressoSystemInterface class
    • the new System class uses composition for GPU particle data management, resource deallocation, and globals
    • GPU particle data management now uses standard thrust vectors and properly deallocates device memory
    • simplify the espressomd.system.System class
  • simplify GPU code

@jngrad
Deallocate resources before normal program termination
91550b8 
At normal program termination, thrust vectors might enter their
destructors when the CUDA primary context manager has already
expired, making it impossible to request the CUDA driver to free
device memory. To avoid this condition, deallocation methods are
wrapped in callbacks that are called by a cleanup class before
normal program termination.
@jngrad jngrad marked this pull request as ready for review June 12, 2023 12:11
@jngrad jngrad requested a review from reinaual June 12, 2023 12:54
reinaual
reinaual approved these changes Jun 16, 2023
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Code looks good to me, as far as I understood the structure.

src/script_interface/system/SystemFacade.hpp Show resolved Hide resolved
@jngrad jngrad added this to the ESPResSo 4.3.0 milestone Jun 16, 2023
@jngrad jngrad added the automerge Merge with kodiak label Jun 16, 2023
@kodiakhq kodiakhq bot merged commit a78400b into espressomd:python Jun 16, 2023
@jngrad jngrad deleted the system_class branch June 16, 2023 13:46
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@reinaual reinaual reinaual approved these changes

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automerge Merge with kodiak Core Improvement
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Introduce an EspressoSystem class in the core
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@jngrad @reinaual