Handle mdp-option case "awh-nsamples-update = 0" - Redmine #2489
Archive from user: Viveca Lindahl
Setting “awh-nsamples-update = 0” is accepted by grompp but leads to a floating point exception because the variable is later (in mdrun) used in a modulo operator.
(from redmine: issue id 2489, created on 2018-04-25 by gmxdefault, closed on 2018-06-06)
- Changesets:
- Revision cb1ac9a9 on 2018-06-06T10:51:57Z:
Make sure that the value of awh-nsamples-update is allowed
Previously, awh-nsamples-update could be set to zero, leading to
division by zero. Now it results in a fatal error.
Fixes #2489
Change-Id: I65aae5d5c533b9aab7ea9aae3e317e92a926c18c