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Issue created by Paul Bauer@acmnpvMaintainer

regressiontests/complex fails on Fedora30 with x86_64, i686 and other archs. - Redmine #2813

I did a test build on version 2019-rc1 on Fedora 30 with the following result:

Thanx for Using GROMACS - Have a Nice Day
Mdrun cannot use the requested (or automatic) number of ranks, retrying with 8.
Abnormal return value for ' gmx mdrun    -nb cpu   -notunepme >mdrun.out 2>&1' was 1
Retrying mdrun with better settings...
sh: line 1:  4161 Aborted                 (core dumped) gmx mdrun -nb cpu -notunepme > mdrun.out 2>&1
Abnormal return value for ' gmx mdrun    -nb cpu   -notunepme >mdrun.out 2>&1' was -1
FAILED. Check mdrun.out, md.log file(s) in urea for urea
1 out of 51 complex tests FAILED

Details build log for x86 and i686 attached.

(from redmine: issue id 2813, created on 2018-12-20 by junghans, closed on 2019-02-18)

  • Changesets:
    • Revision 3911191a by Berk Hess on 2019-01-03T13:18:33Z:
Fix segmentation fault in DD code

mdrun could exit with a segmentation fault in DD when DLB was disabled.

Fixes #2813

Change-Id: Ie20ca1995c93fa74f41d8db5becfce1cb20348a3
  • Revision c5c3743d by Berk Hess on 2019-02-06T16:58:10Z:
Fix segfault with EM, DD and group scheme

Resetting to an old DD state during EM would leave the cg sorting array
used with the group scheme in an invalid state. This could cause
out of bounds vector access one DD step after rejecting an EM step.

When merging this into master branch, prefer to change to use ssize
rather than the static_cast.

Fixes #2813

Change-Id: I7f13b46d7ff5352ce41838b813c46f2e90c93b1c