manage-threading.h File Reference

#include <cstdio>
#include <string>
#include "gromacs/topology/idef.h"
#include "gromacs/utility/arrayref.h"

Include dependency graph for manage-threading.h:

Description

Declares functions for managing threading of listed forces.

Author

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

Functions
bool	gmx::buildSupportsGpuBondeds (std::string *error)
	Checks whether the GROMACS build allows to compute bonded interactions on a GPU. More...
bool	gmx::inputSupportsGpuBondeds (const t_inputrec &ir, const gmx_mtop_t &mtop, std::string *error)
	Checks whether the input system allows to compute bonded interactions on a GPU. More...
void	assign_bondeds_to_gpu (GpuBondedLists *gpuBondedLists, gmx::ArrayRef< const int > nbnxnAtomOrder, const t_idef &idef)
	Copy bonded interactions assigned to the GPU to gpuBondedLists. More...
void	setup_bonded_threading (bonded_threading_t *bt, int numAtoms, bool useGpuForBondes, const t_idef &idef)
	Divide the listed interactions over the threads and GPU. More...
void	tear_down_bonded_threading (bonded_threading_t *bt)
	Destructor.
void	init_bonded_threading (FILE *fplog, int nenergrp, bonded_threading_t **bt_ptr)
	Initialize the bonded threading data structures. More...

Function Documentation

void assign_bondeds_to_gpu	(	GpuBondedLists *	gpuBondedLists,
		gmx::ArrayRef< const int >	nbnxnAtomOrder,
		const t_idef &	idef
	)

Copy bonded interactions assigned to the GPU to gpuBondedLists.

Copy bonded interactions assigned to the GPU to gpuBondedLists.

void init_bonded_threading	(	FILE *	fplog,
		int	nenergrp,
		bonded_threading_t **	bt_ptr
	)

Initialize the bonded threading data structures.

Allocates and initializes a bonded threading data structure. A pointer to this struct is returned as *bb_ptr.

void setup_bonded_threading	(	bonded_threading_t *	bt,
		int	numAtoms,
		bool	useGpuForBondes,
		const t_idef &	idef
	)

Divide the listed interactions over the threads and GPU.

Uses fr->nthreads for the number of threads, and sets up the thread-force buffer reduction. This should be called each time the bonded setup changes; i.e. at start-up without domain decomposition and at DD.