Add separate constructor to StatePropagatorDataGpu for PME-only rank / PME tests
authorArtem Zhmurov <zhmurov@gmail.com>
Thu, 10 Oct 2019 16:48:30 +0000 (18:48 +0200)
committerArtem Zhmurov <zhmurov@gmail.com>
Mon, 14 Oct 2019 08:00:22 +0000 (10:00 +0200)
commita7759162cd5e4735bf4639eba061b418f7ab461a
tree40dd1bcf2d2559089391c346d4e5fa7b3d5e9150
parentdf0c07fd57ba9e2dcd1ca6677ab0243a4f6674da
Add separate constructor to StatePropagatorDataGpu for PME-only rank / PME tests

A separate constructor is added to the StatePropagatorDataGpu to use in the
separate PME rank and in PME tests. These use the provided stream to copy
coordinates for atom with Local or All localities. Copy of coordinates for
non-local particles as well as copy operations for the forces and velocities
are not allowed by assertions.

Refs. #3126.

Change-Id: I66aeeaea54931398b1a4a30b920b092f7d40ae16
src/gromacs/ewald/pme_only.cpp
src/gromacs/ewald/tests/pmetestcommon.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