Bug #2753
Segmentation fault in MiMiC parallel runs with Intel MPI
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
History
#1 Updated by Gerrit Code Review Bot about 1 year ago
Gerrit received a related patchset '1' for Issue #2753.
Uploader: Viacheslav Bolnykh (bolnykh@gmail.com)
Change-Id: gromacs~master~I6d0bc6edfabc1444d7d24eb2d5401b6ff174a57d
Gerrit URL: https://gerrit.gromacs.org/8677
#2 Updated by Gerrit Code Review Bot about 1 year ago
Gerrit received a related patchset '1' for Issue #2753.
Uploader: Mark Abraham (mark.j.abraham@gmail.com)
Change-Id: gromacs~release-2019~I6d0bc6edfabc1444d7d24eb2d5401b6ff174a57d
Gerrit URL: https://gerrit.gromacs.org/8682
#3 Updated by Viacheslav Bolnykh about 1 year ago
- Status changed from New to Resolved
Applied in changeset fafc54e122a253284272127c8d5e6573ca0d1b7e.
#4 Updated by Paul Bauer about 1 year ago
- Status changed from Resolved to Closed
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