gmx::GpuForceReduction Class Reference

#include <gromacs/mdlib/gpuforcereduction.h>

Description

Manages the force reduction directly in GPU memory.

Manages the reduction of multiple GPU force buffers into a single GPU force buffer. The reduction involves at least one (input/output) Rvec-format buffer and one (input) Nbat-format buffer, where the Nbat->Rvec conversion is handled internally. One additional (input) Rvec-format buffer is supported as optional.

Public Member Functions
	GpuForceReduction (const DeviceContext &deviceContext, const DeviceStream &deviceStream, gmx_wallcycle *wcycle)
	Creates GPU force reduction object. More...
void	registerNbnxmForce (DeviceBuffer< RVec > forcePtr)
	Register a nbnxm-format force to be reduced. More...
void	registerRvecForce (DeviceBuffer< RVec > forcePtr)
	Register a rvec-format force to be reduced. More...
void	addDependency (GpuEventSynchronizer *dependency)
	Add a dependency for this force reduction. More...
void	reinit (DeviceBuffer< RVec > baseForcePtr, int numAtoms, ArrayRef< const int > cell, int atomStart, bool accumulate, GpuEventSynchronizer *completionMarker=nullptr)
	Reinitialize the GPU force reduction. More...
void	execute ()
	Execute the force reduction.
void	registerForcesReadyNvshmemFlags (DeviceBuffer< uint64_t > syncObj)

Constructor & Destructor Documentation

gmx::GpuForceReduction::GpuForceReduction	(	const DeviceContext &	deviceContext,
		const DeviceStream &	deviceStream,
		gmx_wallcycle *	wcycle
	)

Creates GPU force reduction object.

Parameters

[in]	deviceContext	GPU device context
[in]	deviceStream	Stream to use for reduction
[in]	wcycle	Wall-clock cycle counter

Member Function Documentation

void gmx::GpuForceReduction::addDependency

(

GpuEventSynchronizer *

dependency

)

Add a dependency for this force reduction.

Parameters

[in]

dependency

Dependency for this reduction

void gmx::GpuForceReduction::registerNbnxmForce

(

DeviceBuffer< RVec >

forcePtr

)

Register a nbnxm-format force to be reduced.

Parameters

[in]

forcePtr

Pointer to force to be reduced

void gmx::GpuForceReduction::registerRvecForce

(

DeviceBuffer< RVec >

forcePtr

)

Register a rvec-format force to be reduced.

Parameters

[in]

forcePtr

Pointer to force to be reduced

void gmx::GpuForceReduction::reinit	(	DeviceBuffer< RVec >	baseForcePtr,
		int	numAtoms,
		ArrayRef< const int >	cell,
		int	atomStart,
		bool	accumulate,
		GpuEventSynchronizer *	completionMarker = nullptr
	)

Reinitialize the GPU force reduction.

Parameters

[in]	baseForcePtr	Pointer to force to be used as a base
[in]	numAtoms	The number of atoms
[in]	cell	Pointer to the cell array
[in]	atomStart	The start atom for the reduction
[in]	accumulate	Whether reduction should be accumulated
[in]	completionMarker	Event to be marked when launch of reduction is complete

---

The documentation for this class was generated from the following files:

• src/gromacs/mdlib/gpuforcereduction.h
• src/gromacs/mdlib/gpuforcereduction_impl.cpp
• src/gromacs/mdlib/gpuforcereduction_impl_stubs.cpp