state_propagator_data_gpu.h File Reference

#include <memory>
#include <tuple>
#include "gromacs/gpu_utils/devicebuffer_datatype.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/simulation_workload.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/classhelpers.h"
#include "locality.h"

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Description

Declaration of interfaces for GPU state data propagator object.

This object stores and manages positions, velocities and forces for all particles in the system on the GPU.

For NVSHMEM path it handles the symmetric allocation for coordinates and signal buffers involved in PP GPU Halo Exchange. It also serves as a symmetric allocation point for PME rank for the d_recvBuf involved in the PP GPU Halo Exchange for the sake of keeping symmetric allocation happy.

Todo:

Add cycle counters.

Add synchronization points.

Author

Artem Zhmurov zhmur.nosp@m.ov@g.nosp@m.mail..nosp@m.com

Functions
bool	gmx::needStateGpu (SimulationWorkload simulationWorkload)
	If StatePropagatorDataGpu object is needed. More...