threaded_force_buffer.cpp File Reference

#include "gmxpre.h"
#include "threaded_force_buffer.h"
#include <cstdio>
#include <algorithm>
#include <array>
#include <string>
#include "gromacs/math/vec.h"
#include "gromacs/mdtypes/forceoutput.h"
#include "gromacs/pbcutil/ishift.h"
#include "gromacs/utility/alignedallocator.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxassert.h"

Include dependency graph for threaded_force_buffer.cpp:

Description

This file defines the implementation of ThreadForceBuffer and ThreadedForceBuffer.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Functions
template<typename ForceBufferElementType >
void	gmx::anonymous_namespace{threaded_force_buffer.cpp}::reduceThreadForceBuffers (ArrayRef< gmx::RVec > force, ArrayRef< std::unique_ptr< ThreadForceBuffer< ForceBufferElementType >>> threadForceBuffers, ArrayRef< const gmx_bitmask_t > masks, ArrayRef< const int > usedBlockIndices)
	Reduce thread-local force buffers into force (does not reduce shift forces)
template<typename ForceBufferElementType >
void	gmx::anonymous_namespace{threaded_force_buffer.cpp}::reduceVirialData (ForceWithShiftForces *forceWithShiftForces, ArrayRef< const std::unique_ptr< ThreadForceBuffer< ForceBufferElementType >>> threadForceBuffers)
	Reduces the shift forces in threadForceBuffers to forceWithShiftForces.
template<typename ForceBufferElementType >
void	gmx::anonymous_namespace{threaded_force_buffer.cpp}::reduceVirialData (ForceWithVirial *forceWithVirial, ArrayRef< const std::unique_ptr< ThreadForceBuffer< ForceBufferElementType >>> threadForceBuffers)
	Reduces the virial contributions in threadForceBuffers to forceWithVirial.

Variables
static constexpr int	gmx::s_maxNumThreadsForReduction = 256
	The max thread number is arbitrary, we used a fixed number to avoid memory management. Using more than 16 threads is probably never useful performance wise.