Clean up multisim, communication, and REMD code
authorMark Abraham <mark.j.abraham@gmail.com>
Sun, 26 May 2019 22:00:46 +0000 (00:00 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 11 Jun 2019 16:03:47 +0000 (18:03 +0200)
commit5607ca0bee305561075639e34c37dacba6eaf2fd
treed60e4d602a1014ac3946243474eece4e5e517eeb
parentdeb9a948d8db1836b4a1e50e31c59b50cd66696d
Clean up multisim, communication, and REMD code

Moved multisim declarations and code to one place.

Moved mpi_in_place_buf_t to its own files in a low-level module, and
made sure we tested a build that needed it. Removed duplicate tng
option declaration while I was there.

Moved a check for REMD to its code, removed another that was redundant
with that for multisim requiring more than one simulation.

Added some t_commrec and gmx_multisim_t cleanup code, but not all
of it can work before some more cleanup takes place.

Change-Id: Ie591f50a2162dce2e83552102f8633c8d49553a7
16 files changed:
admin/builds/gromacs.py
admin/builds/pre-submit-matrix.txt
src/gromacs/awh/biassharing.cpp
src/gromacs/awh/biasstate.cpp
src/gromacs/gmxlib/network.cpp
src/gromacs/gmxlib/network.h
src/gromacs/listed_forces/disre.cpp
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/tests/constr.cpp
src/gromacs/mdrun/legacymdrunoptions.cpp
src/gromacs/mdrun/replicaexchange.cpp
src/gromacs/mdrunutility/multisim.cpp
src/gromacs/mdrunutility/multisim.h
src/gromacs/mdtypes/commrec.h
src/gromacs/utility/mpiinplacebuffers.cpp [new file with mode: 0644]
src/gromacs/utility/mpiinplacebuffers.h [new file with mode: 0644]