Project

General

Profile

Bug #3373

checkNumberOfBondedInteractions not exiting on failure

Added by Pascal Merz about 2 months ago. Updated about 1 month ago.

Status:
Closed
Priority:
Normal
Assignee:
Category:
mdrun
Target version:
Affected version - extra info:
also all 2019
Affected version:
Difficulty:
uncategorized
Close

Description

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.

Associated revisions

Revision a31b420b (diff)
Added by Pascal Merz about 2 months ago

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

History

#1 Updated by Anonymous about 2 months ago

  • Status changed from Fix uploaded to Resolved

#2 Updated by Paul Bauer about 1 month ago

  • Status changed from Resolved to Closed

Also available in: Atom PDF