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(parent: dad73b7) | patch
Convert NbnxnPairlistGpu to C++
authorBerk Hess <hess@kth.se>
Fri, 4 Jan 2019 17:17:01 +0000 (18:17 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 22 Jan 2019 13:51:51 +0000 (14:51 +0100)
commitfd6ec050ad1720e806f1405bcac61beb59f28750
tree3946609a102e7ffa33d4500f1dd0350cf84de978tree | snapshot
parentdad73b70e0984a5c4ee9a970ba8a4e1070df02f1commit | diff
Convert NbnxnPairlistGpu to C++

Converted all arrays in NbnxnPairlistGpu to std::vector. There is now
a small initialization overhead when merging lists over threads.
We should recover this by using default initialization.
This change is only refactoring.

Change-Id: Ia811ec1b09ffb9e35ba1a8cf2ef0e64d4006898c
12 files changed:
src/gromacs/mdlib/forcerec.cpp diff | blob | history
src/gromacs/mdlib/nbnxn_atomdata.cpp diff | blob | history
src/gromacs/mdlib/nbnxn_atomdata.h diff | blob | history
src/gromacs/mdlib/nbnxn_consts.h diff | blob | history
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu diff | blob | history
src/gromacs/mdlib/nbnxn_internal.h diff | blob | history
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.cpp diff | blob | history
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_data_mgmt.cpp diff | blob | history
src/gromacs/mdlib/nbnxn_pairlist.h diff | blob | history
src/gromacs/mdlib/nbnxn_search.cpp diff | blob | history
src/gromacs/mdlib/nbnxn_search.h diff | blob | history
src/gromacs/mdlib/sim_util.cpp diff | blob | history
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