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Bug #2753

Segmentation fault in MiMiC parallel runs with Intel MPI

Added by Viacheslav Bolnykh 11 months ago. Updated 10 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 11 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 11 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 11 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 11 months ago

  • Status changed from New to Resolved

#4 Updated by Paul Bauer 10 months ago

  • Status changed from Resolved to Closed

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