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Bug #2489

Handle mdp-option case "awh-nsamples-update = 0"

Added by Viveca Lindahl over 1 year ago. Updated about 1 year ago.

Status:
Closed
Priority:
Low
Category:
preprocessing (pdb2gmx,grompp)
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

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.

Associated revisions

Revision cb1ac9a9 (diff)
Added by Viveca Lindahl about 1 year ago

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

History

#1 Updated by Gerrit Code Review Bot over 1 year ago

Gerrit received a related patchset '1' for Issue #2489.
Uploader: Viveca Lindahl ()
Change-Id: gromacs~master~I23dbc80992e130a28af413754d12f8fd167e7bde
Gerrit URL: https://gerrit.gromacs.org/7794

#2 Updated by Gerrit Code Review Bot about 1 year ago

Gerrit received a related patchset '1' for Issue #2489.
Uploader: Viveca Lindahl ()
Change-Id: gromacs~release-2018~I65aae5d5c533b9aab7ea9aae3e317e92a926c18c
Gerrit URL: https://gerrit.gromacs.org/7980

#3 Updated by Viveca Lindahl about 1 year ago

  • Status changed from New to Fix uploaded

#4 Updated by Anonymous about 1 year ago

  • Status changed from Fix uploaded to Resolved

#5 Updated by Mark Abraham about 1 year ago

  • Status changed from Resolved to Closed

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