Make pull with COM from previous step work with MPI
commit707a94f615f0abe3523a4ed04836aa5b031a1b19
authorMagnus Lundborg <lundborg.magnus@gmail.com>
Fri, 23 Nov 2018 13:11:37 +0000 (23 14:11 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 29 Nov 2018 09:36:00 +0000 (29 10:36 +0100)
treece015c0a394d477ecba398687364a264688382fb
parent566d5f0ee5f6dbb6d1fea1466b32df959c32a958
Make pull with COM from previous step work with MPI

There was no communication between the ranks, which caused
crashes with MPI and tMPI. This fixes that.
Minor clean-ups of pull with COM from previous step as well.
Fixes #2769

Change-Id: I3b321872ffd4b295c4e97029d8d54872b3674ac4
src/gromacs/domdec/collect.cpp
src/gromacs/fileio/checkpoint.cpp
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdrun/md.cpp
src/gromacs/mdtypes/state.h
src/gromacs/pulling/pull.cpp
src/gromacs/pulling/pull.h
src/gromacs/pulling/pull_internal.h
src/gromacs/pulling/pullutil.cpp