Fix pull code bug with DD and atom sets
authorBerk Hess <hess@kth.se>
Wed, 21 Oct 2020 20:14:46 +0000 (22:14 +0200)
committerBerk Hess <hess@kth.se>
Wed, 21 Oct 2020 20:16:33 +0000 (22:16 +0200)
commitbd80f27d8e8fbc0795a2d9897ef3986333df5eb6
treeab7ed579258f42820e4167858f56c56f9c59eef8
parent875711494b5a6b0af46df520457c57f7218b32bf
Fix pull code bug with DD and atom sets

The local pull groups were constructed before instead of after
constructing the local atom sets, which were needed for setting
the relative atom weights and with more than 32 DD PP-ranks.

Fixes #3750
docs/release-notes/2020/2020.5.rst
src/gromacs/domdec/partition.cpp