Anderson Mixing compressor with linear-response mixing step. More...

#include <LrAmCompressor.h>

Inheritance diagram for Pscf::Rpg::LrAmCompressor< D >:

Public Member Functions
	LrAmCompressor (System< D > &system)
	Constructor.

	~LrAmCompressor ()
	Destructor.

void	readParameters (std::istream &in)
	Read all parameters and initialize.

void	setup (bool isContinuation)
	Initialize just before entry to iterative loop.

int	compress ()
	Compress to obtain partial saddle point w+.

void	outputTimers (std::ostream &out)
	Return compressor times contributions.

void	clearTimers ()
	Clear all timers (reset accumulated time to zero).

Public Member Functions inherited from Pscf::AmIteratorTmpl< Compressor< D >, DeviceArray< cudaReal > >
	AmIteratorTmpl ()
	Constructor.

	~AmIteratorTmpl ()
	Destructor.

void	readParameters (std::istream &in)
	Read all parameters and initialize.

int	solve (bool isContinuation=false)
	Iterate to a solution.

void	outputTimers (std::ostream &out)
	Log output timing results.

void	clearTimers ()
	Clear timers.

std::string	errorType () const
	Obtain error type.

Protected Member Functions
template<typename Type >
ScalarParam< Type > &	readOptional (std::istream &in, const char *label, Type &value)
	Add and read a new optional ScalarParam < Type > object.

Protected Member Functions inherited from Pscf::AmIteratorTmpl< Compressor< D >, DeviceArray< cudaReal > >
void	setMaxItr (int maxItr)
	Set value of maxItr.

void	setMaxHist (int maxHist)
	Set value of maxHist (number of retained previous states)

void	setErrorType (std::string errorType)
	Set and validate value of errorType string.

void	readErrorType (std::istream &in)
	Read and validate the optional errorType string parameter.

virtual bool	isValidErrorType ()
	Checks if a string is a valid error type.

virtual double	norm (DeviceArray< cudaReal > const &hist)
	Find the L2 norm of a vector.

void	allocateAM ()
	Allocate memory required by AM algorithm, if necessary.

virtual void	clear ()
	Clear information about history.

virtual double	computeError (DeviceArray< cudaReal > &residTrial, DeviceArray< cudaReal > &fieldTrial, std::string errorType, int verbose)
	Compute and return error used to test for convergence.

double	computeError (int verbose)
	Compute and return error used to test for convergence.

DeviceArray< cudaReal > const &	residual () const
	Return the current residual vector by const reference.

DeviceArray< cudaReal > const &	field () const
	Return the current field or state vector by const reference.

int	verbose () const
	Verbosity level, allowed values 0, 1, or 2.

int	totalItr ()
	Return the total number of iterations needed to converge.

double	timerTotal ()
	Get total time.

double	timerMDE ()
	Get time solving modified diffusion equation (MDE).

double	timerAM ()
	Get total time for AM algorithm, excluding MDE solution.

double	timerResid ()
	Get time computing residual.

double	timerError ()
	Get time evaluating scalar error.

double	timerCoeff ()
	Get time evaluating Anderson mixing coefficients.

double	timerOmega ()
	Get time updating w fields.

bool	isAllocatedAM () const
	Have data structures required by the AM algorithm been allocated?

ScalarParam< Type > &	read (std::istream &in, const char *label, Type &value)
	Add and read a new required ScalarParam < Type > object.

ScalarParam< Type > &	readOptional (std::istream &in, const char *label, Type &value)
	Add and read a new optional ScalarParam < Type > object.

Additional Inherited Members
Protected Attributes inherited from Pscf::AmIteratorTmpl< Compressor< D >, DeviceArray< cudaReal > >
std::string	errorType_
	Type of error criterion used to test convergence.

Detailed Description

template<int D>
class Pscf::Rpg::LrAmCompressor< D >

Anderson Mixing compressor with linear-response mixing step.

Class LrAmCompressor implements an Anderson mixing algorithm which modifies the second mixing step, estimating Jacobian by linear response of homogenous liquid instead of unity. The residual is a vector in which each that represents a deviations in the sum of volume fractions from unity.

Definition at line 41 of file rpg/fts/compressor/LrAmCompressor.h.

Constructor & Destructor Documentation

◆ LrAmCompressor()

template<int D>

Pscf::Rpg::LrAmCompressor< D >::LrAmCompressor ( System< D > & system )

Constructor.

Parameters

system System object associated with this compressor.

Definition at line 25 of file rpg/fts/compressor/LrAmCompressor.tpp.

◆ ~LrAmCompressor()

template<int D>

Pscf::Rpg::LrAmCompressor< D >::~LrAmCompressor ( )

Destructor.

Definition at line 34 of file rpg/fts/compressor/LrAmCompressor.tpp.

Member Function Documentation

◆ readParameters()

template<int D>

void Pscf::Rpg::LrAmCompressor< D >::readParameters ( std::istream & in )

Read all parameters and initialize.

Parameters

in	input filestream

Definition at line 39 of file rpg/fts/compressor/LrAmCompressor.tpp.

◆ setup()

template<int D>

void Pscf::Rpg::LrAmCompressor< D >::setup ( bool isContinuation )

virtual

Initialize just before entry to iterative loop.

This function is called by the solve function before entering the loop over iterations. Store the current values of the fields at the beginning of iteration

Parameters

isContinuation true iff continuation within a sweep

Reimplemented from Pscf::AmIteratorTmpl< Compressor< D >, DeviceArray< cudaReal > >.

Definition at line 48 of file rpg/fts/compressor/LrAmCompressor.tpp.

References Pscf::Prdc::Cuda::VecOp::eqV().

◆ compress()

template<int D>

int Pscf::Rpg::LrAmCompressor< D >::compress ( )

Compress to obtain partial saddle point w+.

Returns: 0 for convergence, 1 for failure

Definition at line 101 of file rpg/fts/compressor/LrAmCompressor.tpp.

◆ outputTimers()

template<int D>

void Pscf::Rpg::LrAmCompressor< D >::outputTimers ( std::ostream & out )

Return compressor times contributions.

Definition at line 261 of file rpg/fts/compressor/LrAmCompressor.tpp.

◆ clearTimers()

template<int D>

void Pscf::Rpg::LrAmCompressor< D >::clearTimers ( )

Clear all timers (reset accumulated time to zero).

Definition at line 271 of file rpg/fts/compressor/LrAmCompressor.tpp.

◆ readOptional()

template<int D>

template<typename Type >

ScalarParam< Type > & Util::ParamComposite::readOptional	(	std::istream &	in,
		const char *	label,
		Type &	value )

inlineprotected

Add and read a new optional ScalarParam < Type > object.

This is equivalent to ScalarParam<Type>(in, label, value, false).

Parameters

in	input stream for reading
label	Label string
value	reference to new ScalarParam< Type >

Definition at line 319 of file ParamComposite.h.

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

Public Member Functions

Protected Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ LrAmCompressor()

◆ ~LrAmCompressor()

Member Function Documentation

◆ readParameters()

◆ setup()

◆ compress()

◆ outputTimers()

◆ clearTimers()

◆ readOptional()