Redevelopment of GPU Force Reduction/Buffer Ops
authorAlan Gray <alangray3@gmail.com>
Tue, 29 Sep 2020 11:27:18 +0000 (11:27 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 29 Sep 2020 11:27:18 +0000 (11:27 +0000)
commit257d8094c09479fe3f7bd9386013056453f26455
treec6a6f1a936497e0ab6ccefba010bb77b3c38c6e5
parentab90613cf127bbd285c30140acea517e701b65e9
Redevelopment of GPU Force Reduction/Buffer Ops

Introduces a new purpose-build class for GPU force reduction, which
replaces the previous force buffer ops mechanism.

Refs #3370
21 files changed:
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/CMakeLists.txt
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/gpuforcereduction.h [new file with mode: 0644]
src/gromacs/mdlib/gpuforcereduction_impl.cpp [new file with mode: 0644]
src/gromacs/mdlib/gpuforcereduction_impl.cu [new file with mode: 0644]
src/gromacs/mdlib/gpuforcereduction_impl.cuh [new file with mode: 0644]
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/mdtypes/forcerec.h
src/gromacs/nbnxm/atomdata.cpp
src/gromacs/nbnxm/atomdata.h
src/gromacs/nbnxm/cuda/nbnxm_cuda.cu
src/gromacs/nbnxm/cuda/nbnxm_cuda_data_mgmt.cu
src/gromacs/nbnxm/cuda/nbnxm_cuda_types.h
src/gromacs/nbnxm/nbnxm.cpp
src/gromacs/nbnxm/nbnxm.h
src/gromacs/nbnxm/nbnxm_gpu.h