Feature: add MPI communicator injection for general-purpose parallel workflows#6964
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dyzheng wants to merge 2 commits intodeepmodeling:developfrom
Open
Feature: add MPI communicator injection for general-purpose parallel workflows#6964dyzheng wants to merge 2 commits intodeepmodeling:developfrom
dyzheng wants to merge 2 commits intodeepmodeling:developfrom
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…workflows
Replace hardcoded MPI_COMM_WORLD with configurable base_comm parameter in
the MPI initialization path, enabling workflows like parallel NEB, phonon
calculations, or replica exchange MD to split MPI ranks into independent
groups, each running its own ESolver instance in a separate subprocess.
8 tasks
8 tasks
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Replace hardcoded MPI_COMM_WORLD with configurable base_comm parameter in the MPI initialization path, enabling workflows like parallel NEB, phonon calculations, or replica exchange MD to split MPI ranks into independent groups, each running its own ESolver instance in a separate subprocess.
Changes:
All parameters default to MPI_COMM_WORLD for full backward compatibility. Existing code compiles and behaves identically without modification.
Reminder
Linked Issue
Fix #...
Unit Tests and/or Case Tests for my changes
What's changed?
Any changes of core modules? (ignore if not applicable)