Pass-2 functor for the two-pass CRS build. More...

#include <VerletListHelpers.h>

Inheritance diagram for autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor:

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Collaboration diagram for autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor:

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Public Types
using	SoAArraysType = typename Particle_T::SoAArraysType
	Structure of the SoAs defined by the particle.

using	PaddedAtomic = typename VerletListCounterFunctor::PaddedAtomic
	Atomic counter.

Public Types inherited from autopas::PairwiseFunctor< Particle_T, VerletListFillerFunctor >
using	SoAArraysType = typename Particle_T::SoAArraysType
	Structure of the SoAs defined by the particle.

Public Types inherited from autopas::Functor< Particle_T, CRTP_T >
using	SoAArraysType = typename Particle_T::SoAArraysType
	Structure of the SoAs defined by the particle.

using	Functor_T = CRTP_T
	Make the Implementation type template publicly available.

Public Member Functions
	VerletListFillerFunctor (NeighborListCRS &neighborList, std::vector< PaddedAtomic > &fillPos, const std::unordered_map< const Particle_T *, size_t > &particleToIndex, double interactionLength)

std::string	getName () override
	Returns name of functor.

bool	isRelevantForTuning () override
	Specifies whether the functor should be considered for the auto-tuning process.

bool	allowsNewton3 () override
	Specifies whether the functor is capable of Newton3-like functors.

bool	allowsNonNewton3 () override
	Specifies whether the functor is capable of non-Newton3-like functors.

void	AoSFunctor (Particle_T &i, Particle_T &j, bool) override

void	SoAFunctorSingle (SoAView< SoAArraysType > soa, const bool newton3) override
	PairwiseFunctor for structure of arrays (SoA)

void	SoAFunctorPair (SoAView< SoAArraysType > soa1, SoAView< SoAArraysType > soa2, bool) override

Public Member Functions inherited from autopas::PairwiseFunctor< Particle_T, VerletListFillerFunctor >
	PairwiseFunctor (double cutoff)
	Constructor.

virtual void	AoSFunctor (Particle_T &i, Particle_T &j, bool newton3)
	PairwiseFunctor for arrays of structures (AoS).

virtual void	SoAFunctorSingle (SoAView< SoAArraysType > soa, bool newton3)
	PairwiseFunctor for structure of arrays (SoA)

virtual void	SoAFunctorVerlet (SoAView< SoAArraysType > soa, const size_t indexFirst, std::span< const size_t > neighborList, bool newton3)
	PairwiseFunctor for structure of arrays (SoA) for neighbor lists.

virtual void	SoAFunctorPair (SoAView< SoAArraysType > soa1, SoAView< SoAArraysType > soa2, bool newton3)
	PairwiseFunctor for structure of arrays (SoA)

virtual void	SoAFunctorPairSorted (SoAView< SoAArraysType > soa1, SoAView< SoAArraysType > soa2, const SoASortingData &sortingData, bool newton3)
	SoAFunctorPair on pre-sorted, pre-packed SoA views.

bool	isVecPatternAllowed (const VectorizationPatternOption::Value vecPattern) override
	Specifies whether the functor is capable of using the specified Vectorization Pattern in the SoA functor.

Public Member Functions inherited from autopas::Functor< Particle_T, CRTP_T >
	Functor (double cutoff)
	Constructor.

virtual void	initTraversal ()
	This function is called at the start of each traversal.

virtual void	endTraversal (bool newton3)
	This function is called at the end of each traversal.

template<class ParticleCell >
void	SoALoader (ParticleCell &cell, SoA< SoAArraysType > &soa, size_t offset, bool skipSoAResize)
	Copies the AoS data of the given cell in the given soa.

template<typename ParticleCell >
void	SoAExtractor (ParticleCell &cell, SoA< SoAArraysType > &soa, size_t offset)
	Copies the data stored in the soa back into the cell.

virtual bool	allowsNewton3 ()=0
	Specifies whether the functor is capable of Newton3-like functors.

virtual bool	allowsNonNewton3 ()=0
	Specifies whether the functor is capable of non-Newton3-like functors.

virtual bool	isVecPatternAllowed (const VectorizationPatternOption::Value vecPattern)=0
	Specifies whether the functor is capable of using the specified Vectorization Pattern in the SoA functor.

virtual bool	isRelevantForTuning ()=0
	Specifies whether the functor should be considered for the auto-tuning process.

virtual std::string	getName ()=0
	Returns name of functor.

double	getCutoff () const
	Getter for the functor's cutoff.

virtual void	setVecPattern (const VectorizationPatternOption::Value vecPattern)
	Setter for the vectorization pattern to be used.

virtual size_t	getNumFLOPs () const
	Get the number of FLOPs.

virtual double	getHitRate () const
	Get the hit rate.

Static Public Member Functions
static constexpr std::array< typename Particle_T::AttributeNames, 4 >	getNeededAttr ()
	Get attributes needed for computation.

static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getComputedAttr ()
	Get attributes computed by this functor.

Static Public Member Functions inherited from autopas::Functor< Particle_T, CRTP_T >
static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getNeededAttr ()
	Get attributes needed for computation.

static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getNeededAttr (std::false_type)
	Get attributes needed for computation without N3 optimization.

static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getComputedAttr ()
	Get attributes computed by this functor.

Additional Inherited Members
Static Public Attributes inherited from autopas::Functor< Particle_T, CRTP_T >
static constexpr bool	supportsSoASorting = false
	Whether this functor supports the SortedSoAView optimization path (SoAFunctorPairSorted).

Detailed Description

template<class Particle_T>
class autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor

Pass-2 functor for the two-pass CRS build.

The CRS offsets are already set. For each interacting pair (i, j) this functor writes j's index directly into the pre-allocated _neighborList.indices slice for particle i, advancing a per-particle fill cursor with a relaxed atomic fetch-add.

The fill cursors reuse the same cache-line-padded PaddedAtomic array as the counter pass (reset to the CRS start offset before this pass runs).

Note: In contrast to other functors, newton3 is deliberately ignored in AoSFunctor() and SoAFunctorPair(). Used with a newton3 traversal, it will lead to "half" neighbor lists, where each particle only has the other particle in its list if it is the "first" particle of the pair. Used with a non-newton3 traversal, it will lead to "full" neighbor lists, where each particle has the other particle in its list for every interacting pair, regardless of whether newton3 is enabled or not.

Constructor & Destructor Documentation

◆ VerletListFillerFunctor()

template<class Particle_T >

autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor::VerletListFillerFunctor	(	NeighborListCRS &	neighborList,
		std::vector< PaddedAtomic > &	fillPos,
		const std::unordered_map< const Particle_T *, size_t > &	particleToIndex,
		double	interactionLength
	)

inline

Parameters

neighborList	The CRS structure with offsets already filled and indices pre-allocated.
fillPos	Per-particle fill cursors, initialized to neighborList.offsets[i] before this pass starts.
particleToIndex	Map from particle pointer to its dense SoA index.
interactionLength	cutoff + skin.

Member Function Documentation

◆ allowsNewton3()

template<class Particle_T >

bool autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor::allowsNewton3 ( )

inlineoverridevirtual

Specifies whether the functor is capable of Newton3-like functors.

If the functor provides an interface to soa or aos functions that utilize Newton's third law of motion (actio = reactio) to reduce the computational complexity this function should return true. If this is not the case this function should return false.

Returns: true if and only if this functor provides an interface to Newton3-like functions.

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ allowsNonNewton3()

template<class Particle_T >

bool autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor::allowsNonNewton3 ( )

inlineoverridevirtual

Specifies whether the functor is capable of non-Newton3-like functors.

If the functor provides an interface to soa or aos functions that do not utilize Newton's third law of motion (actio = reactio) this function should return true. If this is not the case this function should return false.

Returns: true if and only if this functor provides an interface to functions that do not utilize Newton3.

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ AoSFunctor()

template<class Particle_T >

void autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor::AoSFunctor	(	Particle_T &	i,
		Particle_T &	j,
		bool
	)

inlineoverridevirtual

Parameters

i	the first particle
j	the neighbor particle

Reimplemented from autopas::PairwiseFunctor< Particle_T, VerletListFillerFunctor >.

◆ getComputedAttr()

template<class Particle_T >

static constexpr std::array< typename Particle_T::AttributeNames, 0 > autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor::getComputedAttr ( )

inlinestaticconstexpr

Get attributes computed by this functor.

Returns: Attributes computed by this functor.

Todo:: C++20: make this function virtual

◆ getName()

template<class Particle_T >

std::string autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor::getName ( )

inlineoverridevirtual

Returns name of functor.

Intended for use with the iteration logger, to differentiate between calls to computeInteractions using different functors in the logs.

Returns: name of functor.

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ getNeededAttr()

template<class Particle_T >

static constexpr std::array< typename Particle_T::AttributeNames, 4 > autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor::getNeededAttr ( )

inlinestaticconstexpr

Get attributes needed for computation.

Returns: Attributes needed for computation.

Todo:: C++20: make this function virtual

◆ isRelevantForTuning()

template<class Particle_T >

bool autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor::isRelevantForTuning ( )

inlineoverridevirtual

Specifies whether the functor should be considered for the auto-tuning process.

Returns: true if and only if this functor is relevant for auto-tuning.

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ SoAFunctorPair()

template<class Particle_T >

void autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor::SoAFunctorPair	(	SoAView< SoAArraysType >	soa1,
		SoAView< SoAArraysType >	soa2,
		bool
	)

inlineoverridevirtual

Parameters

soa1	SoA of first cell
soa2	SoA of second cell

Reimplemented from autopas::PairwiseFunctor< Particle_T, VerletListFillerFunctor >.

◆ SoAFunctorSingle()

template<class Particle_T >

void autopas::VerletListHelpers< Particle_T >::VerletListFillerFunctor::SoAFunctorSingle	(	SoAView< SoAArraysType >	soa,
		const bool	newton3
	)

inlineoverridevirtual

PairwiseFunctor for structure of arrays (SoA)

This functor should calculate the forces or any other pair-wise interaction between all particles in an soa. This should include a cutoff check if needed!

Parameters

soa	Structure of arrays
newton3	defines whether or whether not to use newton 3

Reimplemented from autopas::PairwiseFunctor< Particle_T, VerletListFillerFunctor >.

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

autopas/containers/verletListsCellBased/verletLists/VerletListHelpers.h

Public Types

Public Member Functions

Static Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ VerletListFillerFunctor()

Member Function Documentation

◆ allowsNewton3()

◆ allowsNonNewton3()

◆ AoSFunctor()

◆ getComputedAttr()

◆ getName()

◆ getNeededAttr()

◆ isRelevantForTuning()

◆ SoAFunctorPair()

◆ SoAFunctorSingle()