GROMACS does not honor when GMX_MAXCONSTRWARN is set to -1 - Redmine #2058
Archive from user: James Barnett
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.
(from redmine: issue id 2058, created on 2016-10-11 by gmxdefault, closed on 2016-10-19)
- Changesets:
- Revision 5844c8b0 by James Barnett on 2016-10-12T20:03:34Z:
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