Move responsibility for GPU force clearing to state propagator
authorAlan Gray <alangray3@gmail.com>
Fri, 12 Mar 2021 06:52:02 +0000 (06:52 +0000)
committerArtem Zhmurov <zhmurov@gmail.com>
Fri, 12 Mar 2021 06:52:02 +0000 (06:52 +0000)
commitc0d936a0458e9e8082a546af3b390b53f9b1ee58
tree09c63f1553361435e04f643062f4dc326cf1937a
parent50de4ce73b83ca968b7a30b86f1c7fa6598539cf
Move responsibility for GPU force clearing to state propagator

Force was previously cleared within GPU force halo exchange which was
quite opaque. Now moved into do_force() and done by state propagator,
to make schedule clearer.

Fixes #3971 and partly addresses #3970
src/gromacs/domdec/gpuhaloexchange.h
src/gromacs/domdec/gpuhaloexchange_impl.cu
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdtypes/state_propagator_data_gpu.h
src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp
src/gromacs/mdtypes/state_propagator_data_gpu_impl.h
src/gromacs/mdtypes/state_propagator_data_gpu_impl_gpu.cpp