checkNumberOfBondedInteractions not exiting on failure - Redmine #3373
Using DD, the system is checked for missing bonded interactions. This
check should exit on a fatal error if it fails. In this check, however,
there is a global summation that is enclosed within a logging statement
that is only executed on master rank. This will cause master to wait for
the other ranks indefinitely, and prevents the program to terminate.
The bug was introduced in
https://gerrit.gromacs.org/q/I6d39dc41d23fe3e0ed8ee51d326c8d2264112b1f
(merged Sep 11, 2018), meaning that the affected versions are likely
2019 and 2020. Going through the change, it doesn’t seem that any other
similar problems were introduced.
(from redmine: issue id 3373, created on 2020-02-11 by ptmerz, closed on 2020-02-21)
- Changesets:
- Revision a31b420b on 2020-02-13T16:46:48Z:
Fix checkNumberOfBondedInteractions bug
When checkNumberOfBondedInteractions finds a missing interaction, the
program is not exiting because a function enclosed in a logging statement
starts a global reduction, but is only ever reached by master.
Fixes #3373
Change-Id: I9a0faa790595a7ea59db561a20246a76857435a1