#include <ParallelTaskManager.h>

Inheritance diagram for PLMD::ParallelTaskManager< T >:

[legend]

Public Types
using	input_type = typename T::input_type

Public Member Functions
	ParallelTaskManager (ActionWithVector *av)

void	applyForces (std::vector< double > &forcesForApply)
	Apply the forces on the parallel object.

input_type &	getActionInput ()
	Get the action input so we can use it.

const input_type &	getActionInput () const

void	runAllTasks ()
	This runs all the tasks.

bool	runInSerial () const
	Is the calculation running in serial.

void	setActionInput (const input_type &adata)
	Copy the data from the underlying colvar into this parallel action.

void	setupParallelTaskManager (std::size_t nder, std::size_t nforce_ts)
	Setup the parallel task manager the three arguments are nder = number of derivatives per scalar nforce_ts = number of forces that are modified by multiple tasks.

void	setWorkspaceSize (std::size_t size)
	Creating the size of the workspace.

Static Public Member Functions
static void	gatherThreadSafeForces (const ParallelActionsInput &input, const ForceIndexHolder &force_indices, const ForceInput &fdata, View< double > forces)
	This is used to gather forces that are thread safe.

static void	gatherThreadUnsafeForces (const ParallelActionsInput &input, const ForceIndexHolder &force_indices, const ForceInput &fdata, View< double > forces)
	This is used to gather forces that are not thread safe.

static void	registerKeywords (Keywords &keys)

Private Member Functions
void	gatherThreads (ForceOutput forces)
	This is used internally to gather the forces on the threads.

std::size_t	getValueStashSize () const

Private Attributes
ActionWithVector *	action
	The underlying action for which we are managing parallel tasks.

input_type	actiondata
	This holds data for that the underlying action needs to do the calculation.

ArgumentsBookkeeping	argumentsMap

Communicator &	comm
	The MPI communicator.

std::vector< double >	input_buffer

bool	ismatrix
	Is this an action with matrix.

ParallelActionsInput	myinput
	This structs is used to pass data between the parallel interface and the function caller.

std::size_t	nderivatives_per_task
	Number of derivatives calculated for each task.

std::size_t	nthreaded_forces
	The number of forces on each thread The number of forces on each thread.

std::vector< std::vector< double > >	omp_forces
	A tempory set of vectors for holding forces over threads.

bool	serial
	True if not using MPI for parllisation.

bool	useacc
	Are we using acc for parallisation.

std::vector< double >	value_stash
	This holds the values before we pass them to the value.

std::size_t	workspace_size
	This holds tempory data that we use in performTask.

Member Typedef Documentation

◆ input_type

template<class T>

using PLMD::ParallelTaskManager< T >::input_type = typename T::input_type

Constructor & Destructor Documentation

◆ ParallelTaskManager()

template<class T>

PLMD::ParallelTaskManager< T >::ParallelTaskManager ( ActionWithVector * av )

Member Function Documentation

◆ applyForces()

template<class T>

void PLMD::ParallelTaskManager< T >::applyForces ( std::vector< double > & forcesForApply )

Apply the forces on the parallel object.

◆ gatherThreads()

template<class T>

void PLMD::ParallelTaskManager< T >::gatherThreads ( ForceOutput forces )

private

This is used internally to gather the forces on the threads.

◆ gatherThreadSafeForces()

template<class T>

void PLMD::ParallelTaskManager< T >::gatherThreadSafeForces	(	const ParallelActionsInput &	input,
		const ForceIndexHolder &	force_indices,
		const ForceInput &	fdata,
		View< double >	forces )

static

This is used to gather forces that are thread safe.

◆ gatherThreadUnsafeForces()

template<class T>

void PLMD::ParallelTaskManager< T >::gatherThreadUnsafeForces	(	const ParallelActionsInput &	input,
		const ForceIndexHolder &	force_indices,
		const ForceInput &	fdata,
		View< double >	forces )

static

This is used to gather forces that are not thread safe.

◆ getActionInput() [1/2]

template<class T>

ParallelTaskManager< T >::input_type & PLMD::ParallelTaskManager< T >::getActionInput ( )

Get the action input so we can use it.

◆ getActionInput() [2/2]

template<class T>

const ParallelTaskManager< T >::input_type & PLMD::ParallelTaskManager< T >::getActionInput ( ) const

◆ getValueStashSize()

template<class T>

std::size_t PLMD::ParallelTaskManager< T >::getValueStashSize ( ) const

private

◆ registerKeywords()

template<class T>

void PLMD::ParallelTaskManager< T >::registerKeywords ( Keywords & keys )

static

◆ runAllTasks()

template<class T>

void PLMD::ParallelTaskManager< T >::runAllTasks ( )

This runs all the tasks.

◆ runInSerial()

template<class T>

bool PLMD::ParallelTaskManager< T >::runInSerial ( ) const

inline

Is the calculation running in serial.

◆ setActionInput()

template<class T>

void PLMD::ParallelTaskManager< T >::setActionInput ( const input_type & adata )

Copy the data from the underlying colvar into this parallel action.

◆ setupParallelTaskManager()

template<class T>

void PLMD::ParallelTaskManager< T >::setupParallelTaskManager	(	std::size_t	nder,
		std::size_t	nforce_ts )

Setup the parallel task manager the three arguments are nder = number of derivatives per scalar nforce_ts = number of forces that are modified by multiple tasks.

◆ setWorkspaceSize()

template<class T>

void PLMD::ParallelTaskManager< T >::setWorkspaceSize ( std::size_t size )

Creating the size of the workspace.

Member Data Documentation

◆ action

template<class T>

ActionWithVector* PLMD::ParallelTaskManager< T >::action

private

The underlying action for which we are managing parallel tasks.

◆ actiondata

template<class T>

input_type PLMD::ParallelTaskManager< T >::actiondata

private

This holds data for that the underlying action needs to do the calculation.

◆ argumentsMap

template<class T>

ArgumentsBookkeeping PLMD::ParallelTaskManager< T >::argumentsMap

private

◆ comm

template<class T>

Communicator& PLMD::ParallelTaskManager< T >::comm

private

The MPI communicator.

◆ input_buffer

template<class T>

std::vector<double> PLMD::ParallelTaskManager< T >::input_buffer

private

◆ ismatrix

template<class T>

bool PLMD::ParallelTaskManager< T >::ismatrix

private

Is this an action with matrix.

◆ myinput

template<class T>

ParallelActionsInput PLMD::ParallelTaskManager< T >::myinput

private

This structs is used to pass data between the parallel interface and the function caller.

◆ nderivatives_per_task

template<class T>

std::size_t PLMD::ParallelTaskManager< T >::nderivatives_per_task

private

Number of derivatives calculated for each task.

◆ nthreaded_forces

template<class T>

std::size_t PLMD::ParallelTaskManager< T >::nthreaded_forces

private

The number of forces on each thread The number of forces on each thread.

◆ omp_forces

template<class T>

std::vector<std::vector<double> > PLMD::ParallelTaskManager< T >::omp_forces

private

A tempory set of vectors for holding forces over threads.

◆ serial

template<class T>

bool PLMD::ParallelTaskManager< T >::serial

private

True if not using MPI for parllisation.

◆ useacc

template<class T>

bool PLMD::ParallelTaskManager< T >::useacc

private

Are we using acc for parallisation.

◆ value_stash

template<class T>

std::vector<double> PLMD::ParallelTaskManager< T >::value_stash

private

This holds the values before we pass them to the value.

◆ workspace_size

template<class T>

std::size_t PLMD::ParallelTaskManager< T >::workspace_size

private

This holds tempory data that we use in performTask.

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

core/ParallelTaskManager.h

Public Types

Public Member Functions

Static Public Member Functions

Private Member Functions

Private Attributes

Member Typedef Documentation

◆ input_type

Constructor & Destructor Documentation

◆ ParallelTaskManager()

Member Function Documentation

◆ applyForces()

◆ gatherThreads()

◆ gatherThreadSafeForces()

◆ gatherThreadUnsafeForces()

◆ getActionInput() [1/2]

◆ getActionInput() [2/2]

◆ getValueStashSize()

◆ registerKeywords()

◆ runAllTasks()

◆ runInSerial()

◆ setActionInput()

◆ setupParallelTaskManager()

◆ setWorkspaceSize()

Member Data Documentation

◆ action

◆ actiondata

◆ argumentsMap

◆ comm

◆ input_buffer

◆ ismatrix

◆ myinput

◆ nderivatives_per_task

◆ nthreaded_forces

◆ omp_forces

◆ serial

◆ useacc

◆ value_stash

◆ workspace_size