RosettaCommons / RosettaCommons/rosetta

UnfoldedStateEnergyCalculator.mpi.linuxgccrelease is not working in mpi compilation

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Dominant language
C++
Stars
470
Forks
169
Avg merge
16d 23h
Merged PRs (30d)
2

Description

The UnfoldedStateEnergyCalculator.mpi.linuxgccrelease is not working in mpi compilation , I tried it several times and I figured out that the UnfoldedStateEnergyCalculator.defaultlinuxgccrelease is the release mode is working normally with the same tasks, files, and commands. Please help to fix this issue.
3.14 and 3.13 versions used.

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First steps

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  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Reproduce the failure with UnfoldedStateEnergyCalculator.mpi.linuxgccrelease using the same tasks, files, and commands reported for Rosetta 3.14 and 3.13, then compare it with UnfoldedStateEnergyCalculator.defaultlinuxgccrelease. Done means the MPI release builds and runs those same tasks successfully, with the failure cause documented.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
build-system
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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