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Fixed triclinic 1xNx1 domain decomposition
authorBerk Hess <hess@kth.se>
Fri, 24 Oct 2014 13:42:38 +0000 (15:42 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 26 Nov 2014 10:22:34 +0000 (11:22 +0100)
commitc8d919a3ff0aa4da10313fb6df79b9f66eb0a25b
tree30421f9fb1071bf99668052410ae92737d4e0819tree | snapshot
parent53526cfeb578e443b9869cc5eb2e89a86aa647dccommit | diff
Fixed triclinic 1xNx1 domain decomposition

With the Verlet scheme, 1D triclinic domain decomposition along
dimension y produces incorrect bounding boxes for the non-bonded grid.
This led to a lot of missing non-bonded interactions, which quickly
crashes any simulation affected by this.
Fixes #1631.

Change-Id: I9bd1fc9d983be839e0c9a8e62d47f6cf17684a03
src/mdlib/domdec.c diff | blob | history
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