Add check for shells and GPU update
authorBerk Hess <hess@kth.se>
Thu, 16 Jan 2020 14:13:41 +0000 (15:13 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 17 Jan 2020 09:55:39 +0000 (10:55 +0100)
commit5946b20c27b336571e003d7fb2fac236d706c149
tree8bdfee6c7a926fdff713564503b652a6f05c0234
parent4d60bf597489f2571afafc3f03831e06555a5640
Add check for shells and GPU update

Fixes #3303

Change-Id: I84a9d005fdff142e332e449bd7b2cce314617adb
docs/release-notes/2020/2020.1.rst
src/gromacs/mdrun/shellfc.cpp
src/gromacs/modularsimulator/modularsimulator.cpp
src/gromacs/modularsimulator/shellfcelement.cpp
src/gromacs/modularsimulator/shellfcelement.h
src/gromacs/taskassignment/decidegpuusage.cpp
src/gromacs/topology/mtop_util.cpp
src/gromacs/topology/mtop_util.h