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Bug #2179

Regression resulting from 5b88d3c18 Remove state duplication in serial runs

Added by Vedran Miletic over 2 years ago. Updated over 2 years ago.

Status:
Closed
Priority:
High
Assignee:
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

Compare 5b88d3c18 with 5b88d3c18^ on the attached files by running test.sh.

5b88d3c18-test-files.tar.gz (3.6 KB) 5b88d3c18-test-files.tar.gz Vedran Miletic, 05/15/2017 05:02 PM

Associated revisions

Revision ab3cfb79 (diff)
Added by Berk Hess over 2 years ago

Fix confout.gro with energy minimization

Commit 5b88d3c18 caused the confout.gro with energy minimization
without domain decomposition to be the same as the starting structure.

Fixes #2179.

Change-Id: I02389d47573bca0d730608a831ceb393cfec792f

History

#1 Updated by Gerrit Code Review Bot over 2 years ago

Gerrit received a related patchset '1' for Issue #2179.
Uploader: Berk Hess ()
Change-Id: gromacs~master~I02389d47573bca0d730608a831ceb393cfec792f
Gerrit URL: https://gerrit.gromacs.org/6641

#2 Updated by Berk Hess over 2 years ago

  • Status changed from New to Fix uploaded
  • Assignee set to Berk Hess
  • Target version set to 2018

The confout.gro was identical to the initial structure.
I pushed up a fix.

#3 Updated by Berk Hess over 2 years ago

  • Status changed from Fix uploaded to Resolved

#4 Updated by Berk Hess over 2 years ago

  • Status changed from Resolved to Closed

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