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Bug #3112

CG minimization with DD broken by recent refactoring

Added by Mark Abraham 6 months ago. Updated 6 months ago.

Status:
Closed
Priority:
Normal
Assignee:
Category:
core library
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

The recent 5ed943bc3d83d1dea9366293afb2b1ed87efb2b7 to continue removing charge-group support broke CG minimization with DD. To reproduce, run mdrun-mpi-test -ntmpi 2. I also expect that the verification at https://gerrit.gromacs.org/c/gromacs/+/13437 will show the issue

Associated revisions

Revision 9bf5fc3f (diff)
Added by Berk Hess 6 months ago

Fix CG minimization with DD

A force for determining the CG direction was not communicated
correctly with domain decomposition to recent refactoring change
5ed943bc.

Fixes #3112

Change-Id: Ic33062f4aad0ccd7c1296c7351bc71d735ebba24

History

#1 Updated by Berk Hess 6 months ago

Why didn't jenkins catch this?

#2 Updated by Berk Hess 6 months ago

  • Status changed from New to Fix uploaded

#3 Updated by Berk Hess 6 months ago

  • Status changed from Fix uploaded to Resolved

#4 Updated by Mark Abraham 6 months ago

Berk Hess wrote:

Why didn't jenkins catch this?

See my Gerrit link

#5 Updated by Berk Hess 6 months ago

  • Status changed from Resolved to Closed

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