Project

General

Profile

Bug #2058

GROMACS does not honor when GMX_MAXCONSTRWARN is set to -1

Added by James Barnett about 3 years ago. Updated about 3 years ago.

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

Description

Only one SETTLE error is enough to cause the program to halt when GMX_MAXCONSTRWARN is set to -1. There is no check that I can find that checks if maxwarn is -1. I will add a patch.

Associated revisions

Revision 5844c8b0 (diff)
Added by James Barnett about 3 years ago

Set maxwarn to INT_MAX if GMX_MAXCONSTRWARN < 0

maxwarn is set to the value of the environmental variable
GMX_MAXCONSTRWARN, and we tell users to set that variable to -1 to have
no maximum. This condition was not being checked, so when set to -1 just
1 SETTLE warning was enough to halt the program. This commit fixes
that behavior by setting maxwarn to INT_MAX if GMX_MAXCONSTRWARN is -1
(or any other negative number).

Fixes #2058.

Change-Id: Ie6e2cb57f8402dd9a327f72f7fad36db19b8bb68

History

#1 Updated by Gerrit Code Review Bot about 3 years ago

Gerrit received a related patchset '1' for Issue #2058.
Uploader: James "Wes" Barnett ()
Change-Id: Ie6e2cb57f8402dd9a327f72f7fad36db19b8bb68
Gerrit URL: https://gerrit.gromacs.org/6254

#2 Updated by Berk Hess about 3 years ago

  • Category set to mdrun
  • Status changed from New to Resolved
  • Target version set to 2016.1

#4 Updated by Szilárd Páll about 3 years ago

  • Status changed from Resolved to Closed

Also available in: Atom PDF