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Bug #2508

gmx enemat segment faults

Added by Mark Abraham 9 months ago. Updated 9 months ago.

Status:
Closed
Priority:
Low
Assignee:
Category:
analysis tools
Target version:
Affected version - extra info:
Affected version:
Difficulty:
simple
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Description

According to https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2018-May/120400.html it seems that gmx enemat is not robust to being supplied an energy file that does not have energygrps. It should give a graceful message that it can't do its job with such input.

Associated revisions

Revision f76f70fb (diff)
Added by Mark Abraham 9 months ago

Fixed enemat when .edr had no matching energy groups

Removed some debug output that obscured both the code and the useful
user-facing warnings.

Used a simpler bool construct to decide whether to issue the warning.

Fixes #2508

Change-Id: Ife56264991e365f8f5ca3b1285caea8033da7584

History

#1 Updated by Gerrit Code Review Bot 9 months ago

Gerrit received a related patchset '1' for Issue #2508.
Uploader: Mark Abraham ()
Change-Id: gromacs~release-2018~Ife56264991e365f8f5ca3b1285caea8033da7584
Gerrit URL: https://gerrit.gromacs.org/7925

#2 Updated by Mark Abraham 9 months ago

  • Status changed from New to Fix uploaded
  • Assignee set to Mark Abraham
  • Target version set to 2018.2

More generally, it segfaulted whenever the .edr file does not have the energy groups that the user asked for.

#3 Updated by Mark Abraham 9 months ago

  • Status changed from Fix uploaded to Resolved

#4 Updated by Mark Abraham 9 months ago

  • Status changed from Resolved to Closed

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