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Bug #2753

Segmentation fault in MiMiC parallel runs with Intel MPI

Added by Viacheslav Bolnykh 8 months ago. Updated 7 months ago.

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

Currently GROMACS running a MiMiC QM/MM simulation crashes if runs with domain decomposition. This is caused by incorrect local state updates. The fix is relatively simple - we just have to remove copying of coordinate array from the global state to local.

Associated revisions

Revision fafc54e1 (diff)
Added by Viacheslav Bolnykh 8 months ago

Fixing segfault in parallel MiMiC QM/MM runs

Removed unnecessary copy of coordinate array from global state to
the local one that was causing memory corruption.

Fixes #2753

Change-Id: I6d0bc6edfabc1444d7d24eb2d5401b6ff174a57d

History

#1 Updated by Gerrit Code Review Bot 8 months ago

Gerrit received a related patchset '1' for Issue #2753.
Uploader: Viacheslav Bolnykh ()
Change-Id: gromacs~master~I6d0bc6edfabc1444d7d24eb2d5401b6ff174a57d
Gerrit URL: https://gerrit.gromacs.org/8677

#2 Updated by Gerrit Code Review Bot 8 months ago

Gerrit received a related patchset '1' for Issue #2753.
Uploader: Mark Abraham ()
Change-Id: gromacs~release-2019~I6d0bc6edfabc1444d7d24eb2d5401b6ff174a57d
Gerrit URL: https://gerrit.gromacs.org/8682

#3 Updated by Viacheslav Bolnykh 7 months ago

  • Status changed from New to Resolved

#4 Updated by Paul Bauer 7 months ago

  • Status changed from Resolved to Closed

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