feat: add distributed MdCell domain decomposition - #7768
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Reminder
AGENTS.mdanddocs/developers_guide/agent_governance.md.source/changes.No linked issue. This PR is a scoped internal refactor in the staged parallel-MD series and does not change the INPUT interface.
Unit Tests and/or Case Tests for my changes
Commands run:
cmake -S /tmp/abacus-pr2-rework -B /tmp/abacus-pr2-rework-build \ -DENABLE_MPI=ON -DBUILD_TESTING=ON -DENABLE_LCAO=OFF -DENABLE_LIBXC=OFF env CCACHE_DISABLE=1 cmake --build /tmp/abacus-pr2-rework-build \ --target abacus_pw_para \ MODULE_CELL_NEIGHBOR_neighbor_search \ MODULE_CELL_NEIGHBOR_mdcell_migrate_mpi \ MODULE_CELL_NEIGHBOR_distributed_mdcell_reader \ MODULE_MD_LJ_pot -j4 env LD_PRELOAD=/usr/lib/x86_64-linux-gnu/openblas-openmp/libopenblas.so.0 \ OMP_NUM_THREADS=1 \ ctest --test-dir /tmp/abacus-pr2-rework-build \ -R 'MODULE_CELL_NEIGHBOR_(neighbor_search|mdcell_migrate_mpi|distributed_mdcell_reader_np4)$' \ --output-on-failure env LD_PRELOAD=/usr/lib/x86_64-linux-gnu/openblas-openmp/libopenblas.so.0 \ OMP_NUM_THREADS=1 \ ctest --test-dir /tmp/abacus-pr2-rework-build \ -R '^MODULE_MD_LJ_pot$' --output-on-failure cd tests/04_FF env LD_PRELOAD=/usr/lib/x86_64-linux-gnu/openblas-openmp/libopenblas.so.0 \ OMP_NUM_THREADS=1 \ bash ../integrate/Autotest.sh \ -a /tmp/abacus-pr2-rework-build/abacus_pw_para \ -f CASES_CPU.txt -r '^01_LJ_Anderson$' -n 2 -o 1 python3 tools/03_code_analysis/agent_governance_check.py --staged git diff --checkResult summary:
Checks not run, with reason:
What's changed?
Governance Notes
INPUT/docs changes:
documentation are required.
Core module impact:
this series.
Exceptions requested:
declarations are required.