bonded_threading_t Struct Reference

#include <gromacs/listed_forces/listed_internal.h>

Collaboration diagram for bonded_threading_t:

Description

struct contain all data for bonded force threading

Public Member Functions
	bonded_threading_t (int numThreads, int numEnergyGroups)
	Constructor.

Public Attributes
int	nthreads
	Number of threads to be used for bondeds.
std::vector< std::unique_ptr < f_thread_t > >	f_t
	Force/energy data per thread, size nthreads, stored in unique_ptr to allow thread local allocation.
int	nblock_used
	The number of force blocks to reduce.
std::vector< int >	block_index
	Index of size nblock_used into mask.
std::vector< gmx_bitmask_t >	mask
	Mask array, one element corresponds to a block of reduction_block_size atoms of the force array, bit corresponding to thread indices set if a thread writes to that block.
bool	haveBondeds
	true if we have and thus need to reduce bonded forces
int	max_nthread_uniform
	Maximum thread count for uniform distribution of bondeds over threads.
WorkDivision	workDivision
	The division of work in the t_list over threads.
WorkDivision	foreignLambdaWorkDivision
	Work division for free-energy foreign lambda calculations, always uses 1 thread.

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

• src/gromacs/listed_forces/listed_internal.h
• src/gromacs/listed_forces/manage_threading.cpp