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

#include <LrAmCompressor.h>

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

Public Types
using	VectorT = DeviceArray<cudaReal>
	Typename for field and residual vectors.

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) const
	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.
int	solve (bool isContinuation=false)
	Iterate to a solution.
void	outputTimers (std::ostream &out) const
	Log output timing results.
void	clearTimers ()
	Clear timers.

Additional Inherited Members
Protected Member Functions inherited from Pscf::AmIteratorTmpl< Compressor< D >, DeviceArray< cudaReal > >
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.
void	readMixingParameters (std::istream &in, bool useLambdaRamp=true)
	Read optional parameters used in default correction algorithm.
void	allocateAM ()
	Allocate memory required by AM algorithm, if necessary.
bool	isAllocatedAM () const
	Have data structures required by the AM algorithm been allocated?
virtual void	clear ()
	Clear information about history.
virtual double	computeError (DeviceArray< cudaReal > &residTrial, DeviceArray< cudaReal > &stateTrial, std::string errorType, int verbose)
	Compute and return error used to test for convergence.
double	lambdaRampFactor ()
	Compute ramped prefactor of mixing parameter lambda.
virtual double	computeLambda ()
	Compute mixing parameter for correction step of Anderson mixing.
int	verbose () const
	Verbosity level, allowed values 0, 1, or 2.
std::string	errorType () const
	Get error type string.
DeviceArray< cudaReal > const &	residual () const
	Get the current residual vector by const reference.
DeviceArray< cudaReal > const &	state () const
	Return the current state vector by const reference.
int	totalItr ()
	Return the total number of iterations needed to converge.
double	timerTotal ()
	Get total time.
double	timerMDE ()
	Get time spent solving the modified diffusion equation (MDE).
double	timerAM ()
	Get total time for AM algorithm, excluding MDE solution.
double	timerResid ()
	Get time spent computing residual.
double	timerError ()
	Get time evaluating scalar error.
double	timerCoeff ()
	Get time spent evaluating Anderson mixing coefficients.
double	timerOmega ()
	Get time spent updating w states.
Protected Attributes inherited from Pscf::AmIteratorTmpl< Compressor< D >, DeviceArray< cudaReal > >
double	epsilon_
	Error tolerance.
int	maxItr_
	Maximum number of iterations to attempt.
int	maxHist_
	Maximum number of basis vectors in AM algorithm.
int	verbose_
	Verbosity level.
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 44 of file rpg/fts/compressor/LrAmCompressor.h.

Member Typedef Documentation

◆ VectorT

template<int D>

using Pscf::Rpg::LrAmCompressor< D >::VectorT = DeviceArray<cudaReal>

Typename for field and residual vectors.

Definition at line 51 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 29 of file rpg/fts/compressor/LrAmCompressor.tpp.

References Util::ParamComposite::setClassName().

◆ ~LrAmCompressor()

template<int D>

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

Destructor.

Definition at line 40 of file rpg/fts/compressor/LrAmCompressor.tpp.

Member Function Documentation

◆ readParameters()

template<int D>

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

virtual

Read all parameters and initialize.

Parameters

in	input filestream

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

Definition at line 47 of file rpg/fts/compressor/LrAmCompressor.tpp.

References Pscf::AmIteratorTmpl< Compressor< D >, VectorT >::errorType_, Pscf::AmIteratorTmpl< Compressor< D >, VectorT >::maxItr_, Pscf::AmIteratorTmpl< Compressor< D >, VectorT >::readErrorType(), Pscf::AmIteratorTmpl< Compressor< D >, VectorT >::readParameters(), and Pscf::AmIteratorTmpl< Compressor< D >, VectorT >::verbose_.

◆ 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 63 of file rpg/fts/compressor/LrAmCompressor.tpp.

References Pscf::Prdc::Cpu::FFT< D >::computeKMesh(), Pscf::Prdc::Cpu::VecOp::eqV(), and Pscf::AmIteratorTmpl< Compressor< D >, VectorT >::setup().