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Bug #2508

gmx enemat segment faults

Added by Mark Abraham 11 months ago. Updated 11 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 11 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 11 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 11 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 11 months ago

  • Status changed from Fix uploaded to Resolved

#4 Updated by Mark Abraham 11 months ago

  • Status changed from Resolved to Closed

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