pme_gpu_staging.h File Reference

#include <array>
#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/math/vectypes.h"

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Description

Defines the host-side PME GPU data structures.

Todo:

Some renaming/refactoring, which does not impair the performance: – bringing the function names up to guidelines – PmeGpuSettings -> PmeGpuTasks – refining GPU notation application (#2053) – renaming coefficients to charges (?)

Author

Aleksei Iupinov a.yup.nosp@m.inov.nosp@m.@gmai.nosp@m.l.co.nosp@m.m

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Classes
struct	PmeGpuStaging
	The PME GPU intermediate buffers structure, included in the main PME GPU structure by value. Buffers are managed by the PME GPU module. More...

Variables
static constexpr int	sc_numFepStates = 2
	Number of FEP states.