biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: e6cd064) | patch
fixed segv in Verlet pair-search with trilinic DD
authorBerk Hess <hess@kth.se>
Wed, 5 Dec 2012 12:58:19 +0000 (13:58 +0100)
committerBerk Hess <hess@kth.se>
Wed, 5 Dec 2012 14:34:12 +0000 (15:34 +0100)
commitdccb4e3adc95ea9a217eedfa9ff264290f4e58a8
treeae2bdf098eb696f9e4f2e02dc0ea7fccaef0e7adtree | snapshot
parente6cd064af2032c3e2c9b05dc95dd4651700d5691commit | diff
fixed segv in Verlet pair-search with trilinic DD

With the Verlet scheme and domain decomposition the bounding box
of the zone, used for the pair-search grid, could be calculated
incorrectly for certain triclinic boxes, causing array indices
to get out of bounds (usually causing a segv).
Fixes #1059

Change-Id: I5bb146baaec59271dd5e68b40c545ed29d061831
src/mdlib/domdec.c diff | blob | history
src/mdlib/nbnxn_search.c diff | blob | history
Local GROMACS mirror with custom stuff