Use DeviceBuffer<RVec> in GPU force reduction and PME code
authorAndrey Alekseenko <al42and@gmail.com>
Tue, 16 Mar 2021 10:03:24 +0000 (11:03 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Fri, 19 Mar 2021 15:27:49 +0000 (15:27 +0000)
commitb7aaefb2908e2d73815b7ad19c639e0e50fbff9b
tree2583c6c929c98c2deec038caafa3ed53c43afc38
parenta7d8a6355cd107a2438a6f3d6b8440077e9414ca
Use DeviceBuffer<RVec> in GPU force reduction and PME code

... instead of raw device pointers.

Preparation for #3932. PME change is incidental, the main focus is
GpuForceReduction.
20 files changed:
src/gromacs/ewald/pme.h
src/gromacs/ewald/pme_force_sender_gpu.h
src/gromacs/ewald/pme_force_sender_gpu_impl.cpp
src/gromacs/ewald/pme_force_sender_gpu_impl.cu
src/gromacs/ewald/pme_force_sender_gpu_impl.h
src/gromacs/ewald/pme_gpu.cpp
src/gromacs/ewald/pme_gpu_internal.cpp
src/gromacs/ewald/pme_gpu_internal.h
src/gromacs/ewald/pme_only.cpp
src/gromacs/ewald/pme_pp_comm_gpu.h
src/gromacs/ewald/pme_pp_comm_gpu_impl.cpp
src/gromacs/ewald/pme_pp_comm_gpu_impl.cu
src/gromacs/ewald/pme_pp_comm_gpu_impl.h
src/gromacs/mdlib/gpuforcereduction.h
src/gromacs/mdlib/gpuforcereduction_impl.cpp
src/gromacs/mdlib/gpuforcereduction_impl.cu
src/gromacs/mdlib/gpuforcereduction_impl.h [moved from src/gromacs/mdlib/gpuforcereduction_impl.cuh with 95% similarity]
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdlib/update_constrain_gpu_impl.cu
src/gromacs/mdlib/update_constrain_gpu_impl.h