Implement assigning bondeds to the GPU
commit03ed80329e01b0bff34d032456e8b9f5c6d4342c
authorBerk Hess <hess@kth.se>
Tue, 9 Oct 2018 19:59:55 +0000 (9 21:59 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 12 Oct 2018 15:54:18 +0000 (12 17:54 +0200)
tree8cb18d8bc0b87488ba906ac94fce21685bddaa00
parentc46134d936358ac5246639a4f84fff9fdbbce952
Implement assigning bondeds to the GPU

Assigns supported bonded interactions to the GPU and converts
the atom indices to the nbnxn order.

Change-Id: Iab965e305e8eeb3468d95750f2dbdbb1a04e3a61
src/gromacs/listed-forces/listed-forces.cpp
src/gromacs/listed-forces/manage-threading.cpp
src/gromacs/listed-forces/manage-threading.h
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/mdsetup.cpp
src/gromacs/mdlib/nbnxn_grid.cpp
src/gromacs/mdlib/nbnxn_grid.h
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdtypes/forcerec.h