Wrap more device pointers in DeviceBuffer
authorAndrey Alekseenko <al42and@gmail.com>
Wed, 10 Mar 2021 05:28:27 +0000 (05:28 +0000)
committerArtem Zhmurov <zhmurov@gmail.com>
Wed, 10 Mar 2021 05:28:27 +0000 (05:28 +0000)
commit850429f3ebe34d27dabed6d8c31c08968befd1f5
tree0631a784a2b53d9ee7f0f68c673a86ed588efd32
parent615bd80a1afb58a9448ddb6426103dc07b677bda
Wrap more device pointers in DeviceBuffer

Store and pass around more device pointers as DeviceBuffer<T>
instead of as a raw or even void pointer.

Related changes:

- PmeGpu->kernelParams->atoms.d_forces is now RVec, not float. Forces in
  most other places are RVec, so it seems more logical.
- GpuForceReduction::Impl::baseForce_ now stores pointer to the
  beginning of the array, without shift.
26 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_gather.cu
src/gromacs/ewald/pme_gpu.cpp
src/gromacs/ewald/pme_gpu_internal.cpp
src/gromacs/ewald/pme_gpu_internal.h
src/gromacs/ewald/pme_gpu_types.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 92% similarity]
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdlib/update_constrain_gpu_impl.cu
src/gromacs/mdlib/update_constrain_gpu_impl.h
src/gromacs/nbnxm/cuda/nbnxm_cuda.cu
src/gromacs/nbnxm/nbnxm.cpp
src/gromacs/nbnxm/nbnxm.h
src/gromacs/nbnxm/nbnxm_gpu.h