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Bug #1697

rare replica-exchange problem

Added by Mark Abraham over 2 years ago. Updated about 2 years ago.

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

If a series of multiple replica exchanges at a single attempt led to permutations of all replicas that formed a single cycle, problems ensued.

Associated revisions

Revision 3e1fc90f (diff)
Added by Michael Shirts about 2 years ago

Fix for rarely occuring replica exchange error.

It could write to unallocated memory when permutations of all replicas
formed a single cycle (which is rare except for very low numbers of
replicas)

Fixes #1697

Change-Id: I23e8f7213572d3e8b9461cfdd7cb1eb790b45fe3

History

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

Gerrit received a related patchset '2' for Issue #1697.
Uploader: Mark Abraham ()
Change-Id: I23e8f7213572d3e8b9461cfdd7cb1eb790b45fe3
Gerrit URL: https://gerrit.gromacs.org/4483

#2 Updated by Mark Abraham about 2 years ago

  • Status changed from New to Fix uploaded

#3 Updated by Mark Abraham about 2 years ago

  • Status changed from Fix uploaded to Closed

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