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(parent: 0b7ffe4) | patch
Fix bonded atom communication performance
authorBerk Hess <hess@kth.se>
Mon, 18 Nov 2019 15:39:01 +0000 (16:39 +0100)
committerMagnus Lundborg <magnus.lundborg@scilifelab.se>
Tue, 19 Nov 2019 14:47:45 +0000 (15:47 +0100)
commit63a883e65af2d6d292e2d0cfece09a6dd52297d0
tree4d4d917f0663f96f4bda3213cbd2c68e6515934ftree | snapshot
parent0b7ffe4f2327ff17195752dfb1e8777779aeaee2commit | diff
Fix bonded atom communication performance

The filtering of atoms to communicate for bonded interactions that
are beyond the non-bonded cut-off was effectively missing, because
the home atom indices were not set. This lead to many more atoms
being communicated.

Change-Id: I4bd5b9b561a3077e055186f312939221dba6cefa
src/gromacs/domdec/partition.cpp diff | blob | history
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