manage_threading.h File Reference

#include <cstdio>

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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
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.
bonded_threading_t *	init_bonded_threading (FILE *fplog, int nenergrp)
	Initialize the bonded threading data structures. More...

Function Documentation

bonded_threading_t* init_bonded_threading	(	FILE *	fplog,
		int	nenergrp
	)

Initialize the bonded threading data structures.

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

Todo:

Avoid explicit pointers by using Impl

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.