Wrapper for Sundials IDAS solver. More...

#include <IdasIntegrator.h>

Inheritance diagram for IdasIntegrator:

Detailed Description

Wrapper for Sundials IDAS solver.

See also: FuncEval.h. Classes that use IdasIntegrator: FlowReactor

Definition at line 25 of file IdasIntegrator.h.

Public Member Functions
	IdasIntegrator ()
	Constructor.

void	setTolerances (double reltol, size_t n, double *abstol) override
	Set error tolerances.

void	setTolerances (double reltol, double abstol) override
	Set error tolerances.

void	setSensitivityTolerances (double reltol, double abstol) override
	Set the sensitivity error tolerances.

void	setLinearSolverType (const string &linearSolverType) override
	Set the linear solver type.

void	initialize (double t0, FuncEval &func) override
	Initialize the integrator for a new problem.

void	reinitialize (double t0, FuncEval &func) override

void	integrate (double tout) override
	Integrate the system of equations.

double	step (double tout) override
	Integrate the system of equations.

double &	solution (size_t k) override
	The current value of the solution of equation k.

double *	solution () override
	The current value of the solution of the system of equations.

int	nEquations () const override
	The number of equations.

int	maxOrder () const override

void	setMaxOrder (int n) override
	Set the maximum integration order that will be used.

void	setMaxStepSize (double hmax) override
	Set the maximum step size.

void	setMaxSteps (int nmax) override
	Set the maximum number of time-steps the integrator can take before reaching the next output time.

int	maxSteps () override
	Returns the maximum number of time-steps the integrator can take before reaching the next output time.

void	setMaxErrTestFails (int n) override
	Set the maximum permissible number of error test failures.

AnyMap	solverStats () const override
	Get solver stats from integrator.

int	nSensParams () override

double	sensitivity (size_t k, size_t p) override

string	getErrorInfo (int N)
	Returns a string listing the weighted error estimates associated with each solution component.

int	maxNonlinIterations () const override

void	setMaxNonlinIterations (int n) override

int	maxNonlinConvFailures () const override

void	setMaxNonlinConvFailures (int n) override

bool	algebraicInErrorTest () const override

void	includeAlgebraicInErrorTest (bool yesno) override

void	setMethod (MethodType t) override
	Set the solution method.

Public Member Functions inherited from Integrator
	Integrator ()
	Default Constructor.

virtual	~Integrator ()
	Destructor.

virtual void	setTolerances (double reltol, size_t n, double *abstol)
	Set error tolerances.

virtual void	setTolerances (double reltol, double abstol)
	Set error tolerances.

virtual void	setSensitivityTolerances (double reltol, double abstol)
	Set the sensitivity error tolerances.

virtual void	setLinearSolverType (const string &linSolverType)
	Set the linear solver type.

virtual void	setPreconditioner (shared_ptr< PreconditionerBase > preconditioner)
	Set preconditioner used by the linear solver.

virtual void	preconditionerSolve (size_t stateSize, double rhs, double output)
	Solve a linear system Ax=b where A is the preconditioner.

virtual PreconditionerSide	preconditionerSide ()
	Return the side of the system on which the preconditioner is applied.

virtual shared_ptr< PreconditionerBase >	preconditioner ()
	Return preconditioner reference to object.

virtual string	linearSolverType () const
	Return the integrator problem type.

virtual void	initialize (double t0, FuncEval &func)
	Initialize the integrator for a new problem.

virtual void	reinitialize (double t0, FuncEval &func)

virtual void	integrate (double tout)
	Integrate the system of equations.

virtual double	step (double tout)
	Integrate the system of equations.

virtual double &	solution (size_t k)
	The current value of the solution of equation k.

virtual double *	solution ()
	The current value of the solution of the system of equations.

virtual double *	derivative (double tout, int n)
	n-th derivative of the output function at time tout.

virtual int	lastOrder () const
	Order used during the last solution step.

virtual int	nEquations () const
	The number of equations.

virtual int	nEvals () const
	The number of function evaluations.

virtual int	maxOrder () const

virtual void	setMaxOrder (int n)
	Set the maximum integration order that will be used.

virtual void	setMethod (MethodType t)
	Set the solution method.

virtual void	setMaxStepSize (double hmax)
	Set the maximum step size.

virtual void	setMinStepSize (double hmin)
	Set the minimum step size.

virtual void	setMaxErrTestFails (int n)
	Set the maximum permissible number of error test failures.

virtual void	setMaxSteps (int nmax)
	Set the maximum number of time-steps the integrator can take before reaching the next output time.

virtual int	maxSteps ()
	Returns the maximum number of time-steps the integrator can take before reaching the next output time.

virtual void	setBandwidth (int N_Upper, int N_Lower)

virtual int	nSensParams ()

virtual double	sensitivity (size_t k, size_t p)

virtual AnyMap	solverStats () const
	Get solver stats from integrator.

virtual int	maxNonlinIterations () const

virtual void	setMaxNonlinIterations (int n)

virtual int	maxNonlinConvFailures () const

virtual void	setMaxNonlinConvFailures (int n)

virtual bool	algebraicInErrorTest () const

virtual void	includeAlgebraicInErrorTest (bool yesno)

Public Attributes
string	m_error_message
	Error message information provide by IDAS.

Protected Member Functions
void	applyOptions ()
	Applies user-specified options to the underlying IDAS solver.

Private Member Functions
void	sensInit (double t0, FuncEval &func)

void	checkError (long flag, const string &ctMethod, const string &idaMethod) const
	Check whether an IDAS method indicated an error.

Private Attributes
size_t	m_neq
	Number of equations/variables in the system.

void *	m_ida_mem = nullptr
	Pointer to the IDA memory for the problem.

void *	m_linsol = nullptr
	Sundials linear solver object.

void *	m_linsol_matrix = nullptr
	matrix used by Sundials

SundialsContext	m_sundials_ctx
	SUNContext object for Sundials>=6.0.

FuncEval *	m_func = nullptr
	Object implementing the DAE residual function \( f(t, y, \dot{y}) = 0 \).

double	m_t0 = 0.0
	The start time for the integrator.

double	m_time
	The current integrator time, corresponding to m_y.

double	m_tInteg
	The latest time reached by the integrator. May be greater than m_time.

N_Vector	m_y = nullptr
	The current system state.

N_Vector	m_ydot = nullptr
	The time derivatives of the system state.

N_Vector	m_abstol = nullptr
	Absolute tolerances for each state variable.

string	m_type = "DENSE"
	The linear solver type.

int	m_itol
	Flag indicating whether scalar (`IDA_SS`) or vector (`IDA_SV`) absolute tolerances are being used.

int	m_maxord = 0
	Maximum order allowed for the BDF method.

double	m_reltol = 1.0e-9
	Relative tolerance for all state variables.

double	m_abstols = 1.0e-15
	Scalar absolute tolerance.

double	m_reltolsens
	Scalar relative tolerance for sensitivities.

double	m_abstolsens
	Scalar absolute tolerance for sensitivities.

size_t	m_nabs = 0
	! Number of variables for which absolute tolerances were provided

double	m_hmax = 0.0
	Maximum time step size. Zero means infinity.

int	m_maxsteps = 20000
	Maximum number of internal steps taken in a call to integrate()

int	m_maxErrTestFails = -1
	Maximum number of error test failures in attempting one step.

size_t	m_np
	Number of sensitivity parameters.

N_Vector *	m_yS = nullptr
	Sensitivities of y, size m_np by m_neq.

N_Vector *	m_ySdot = nullptr
	Sensitivities of ydot, size m_np by m_neq.

N_Vector	m_constraints = nullptr

bool	m_sens_ok
	Indicates whether the sensitivities stored in m_yS and m_ySdot have been updated for the current integrator time.

int	m_maxNonlinIters = 0
	Maximum number of nonlinear solver iterations at one solution.

int	m_maxNonlinConvFails = -1
	Maximum number of nonlinear convergence failures.

bool	m_setSuppressAlg = false
	If true, the algebraic variables don't contribute to error tolerances.

double	m_init_step = 1e-14
	Initial IDA step size.

Additional Inherited Members
Protected Attributes inherited from Integrator
shared_ptr< PreconditionerBase >	m_preconditioner
	Pointer to preconditioner object used in integration which is set by setPreconditioner and initialized inside of ReactorNet::initialize()

PreconditionerSide	m_prec_side = PreconditionerSide::NO_PRECONDITION
	Type of preconditioning used in applyOptions.

Constructor & Destructor Documentation

◆ IdasIntegrator()

IdasIntegrator ( )

Constructor.

Function called by CVodes when an error is encountered instead of writing to stdout.

Default settings: dense Jacobian, no user-supplied Jacobian function, Newton iteration.

Here, save the error message provided by CVodes so that it can be included in the subsequently raised CanteraError. Used by SUNDIALS 7.0 and newer.

Definition at line 73 of file IdasIntegrator.cpp.

◆ ~IdasIntegrator()

~IdasIntegrator ( )

override

Definition at line 78 of file IdasIntegrator.cpp.

Member Function Documentation

◆ setTolerances() [1/2]

void setTolerances	(	double	reltol,
		size_t	n,
		double *	abstol
	)

overridevirtual

Set error tolerances.

Parameters

reltol	scalar relative tolerance
n	Number of equations
abstol	array of N absolute tolerance values

Reimplemented from Integrator.

Definition at line 107 of file IdasIntegrator.cpp.

◆ setTolerances() [2/2]

void setTolerances	(	double	reltol,
		double	abstol
	)

overridevirtual

Set error tolerances.

Parameters

reltol	scalar relative tolerance
abstol	scalar absolute tolerance

Reimplemented from Integrator.

Definition at line 123 of file IdasIntegrator.cpp.

◆ setSensitivityTolerances()

void setSensitivityTolerances	(	double	reltol,
		double	abstol
	)

overridevirtual

Set the sensitivity error tolerances.

Parameters

reltol	scalar relative tolerance
abstol	scalar absolute tolerance

Reimplemented from Integrator.

Definition at line 130 of file IdasIntegrator.cpp.

◆ setLinearSolverType()

void setLinearSolverType ( const string & linSolverType )

overridevirtual

Set the linear solver type.

Parameters

linSolverType Type of the linear solver

Reimplemented from Integrator.

Definition at line 137 of file IdasIntegrator.cpp.

◆ initialize()

void initialize	(	double	t0,
		FuncEval &	func
	)

overridevirtual

Initialize the integrator for a new problem.

Call after all options have been set.

Parameters

t0	initial time
func	RHS evaluator object for system of equations.

Reimplemented from Integrator.

Definition at line 232 of file IdasIntegrator.cpp.

◆ reinitialize()

void reinitialize	(	double	t0,
		FuncEval &	func
	)

overridevirtual

Reimplemented from Integrator.

Definition at line 328 of file IdasIntegrator.cpp.

◆ integrate()

void integrate ( double tout )

overridevirtual

Integrate the system of equations.

Parameters

tout	Integrate to this time. Note that this is the absolute time value, not a time interval.

Reimplemented from Integrator.

Definition at line 464 of file IdasIntegrator.cpp.

◆ step()

double step ( double tout )

overridevirtual

Integrate the system of equations.

Parameters

tout	integrate to this time. Note that this is the absolute time value, not a time interval.

Reimplemented from Integrator.

Definition at line 501 of file IdasIntegrator.cpp.

◆ solution() [1/2]

double & solution ( size_t k )

overridevirtual

The current value of the solution of equation k.

Reimplemented from Integrator.

Definition at line 97 of file IdasIntegrator.cpp.

◆ solution() [2/2]

double * solution ( )

overridevirtual

The current value of the solution of the system of equations.

Reimplemented from Integrator.

Definition at line 102 of file IdasIntegrator.cpp.

◆ nEquations()

int nEquations ( ) const

inlineoverridevirtual

The number of equations.

Reimplemented from Integrator.

Definition at line 44 of file IdasIntegrator.h.

◆ maxOrder()

int maxOrder ( ) const

inlineoverridevirtual

Reimplemented from Integrator.

Definition at line 47 of file IdasIntegrator.h.

◆ setMaxOrder()

void setMaxOrder ( int n )

overridevirtual

Set the maximum integration order that will be used.

Reimplemented from Integrator.

Definition at line 142 of file IdasIntegrator.cpp.

◆ setMaxStepSize()

void setMaxStepSize ( double hmax )

overridevirtual

Set the maximum step size.

Reimplemented from Integrator.

Definition at line 151 of file IdasIntegrator.cpp.

◆ setMaxSteps()

void setMaxSteps ( int nmax )

overridevirtual

Set the maximum number of time-steps the integrator can take before reaching the next output time.

Parameters

nmax	The maximum number of steps, setting this value to zero disables this option.

Reimplemented from Integrator.

Definition at line 160 of file IdasIntegrator.cpp.

◆ maxSteps()

int maxSteps ( )

overridevirtual

Returns the maximum number of time-steps the integrator can take before reaching the next output time.

Reimplemented from Integrator.

Definition at line 168 of file IdasIntegrator.cpp.

◆ setMaxErrTestFails()

void setMaxErrTestFails ( int n )

overridevirtual

Set the maximum permissible number of error test failures.

Reimplemented from Integrator.

Definition at line 173 of file IdasIntegrator.cpp.

◆ solverStats()

AnyMap solverStats ( ) const

overridevirtual

Get solver stats from integrator.

Reimplemented from Integrator.

Definition at line 181 of file IdasIntegrator.cpp.

◆ nSensParams()

int nSensParams ( )

inlineoverridevirtual

Reimplemented from Integrator.

Definition at line 56 of file IdasIntegrator.h.

◆ sensitivity()

double sensitivity	(	size_t	k,
		size_t	p
	)

overridevirtual

Reimplemented from Integrator.

Definition at line 520 of file IdasIntegrator.cpp.

◆ getErrorInfo()

string getErrorInfo ( int N )

Returns a string listing the weighted error estimates associated with each solution component.

This information can be used to identify which variables are responsible for integrator failures or unexpected small timesteps.

Definition at line 543 of file IdasIntegrator.cpp.

◆ maxNonlinIterations()

int maxNonlinIterations ( ) const

inlineoverridevirtual

Reimplemented from Integrator.

Definition at line 70 of file IdasIntegrator.h.

◆ setMaxNonlinIterations()

void setMaxNonlinIterations ( int n )

overridevirtual

Reimplemented from Integrator.

Definition at line 205 of file IdasIntegrator.cpp.

◆ maxNonlinConvFailures()

int maxNonlinConvFailures ( ) const

inlineoverridevirtual

Reimplemented from Integrator.

Definition at line 75 of file IdasIntegrator.h.

◆ setMaxNonlinConvFailures()

void setMaxNonlinConvFailures ( int n )

overridevirtual

Reimplemented from Integrator.

Definition at line 214 of file IdasIntegrator.cpp.

◆ algebraicInErrorTest()

bool algebraicInErrorTest ( ) const

inlineoverridevirtual

Reimplemented from Integrator.

Definition at line 80 of file IdasIntegrator.h.

◆ includeAlgebraicInErrorTest()

void includeAlgebraicInErrorTest ( bool yesno )

overridevirtual

Reimplemented from Integrator.

Definition at line 223 of file IdasIntegrator.cpp.

◆ setMethod()

void setMethod ( MethodType t )

overridevirtual

Set the solution method.

Reimplemented from Integrator.

Definition at line 583 of file IdasIntegrator.cpp.

◆ applyOptions()

void applyOptions ( )

protected

Applies user-specified options to the underlying IDAS solver.

Called during integrator initialization or reinitialization.

Definition at line 342 of file IdasIntegrator.cpp.

◆ sensInit()

void sensInit	(	double	t0,
		FuncEval &	func
	)

private

Definition at line 425 of file IdasIntegrator.cpp.

◆ checkError()

void checkError	(	long	flag,
		const string &	ctMethod,
		const string &	idaMethod
	)		const

private

Check whether an IDAS method indicated an error.

If so, throw an exception containing the method name and the error code stashed by the ida_err() function.

Definition at line 567 of file IdasIntegrator.cpp.

Member Data Documentation

◆ m_error_message

string m_error_message

Error message information provide by IDAS.

Definition at line 68 of file IdasIntegrator.h.

◆ m_neq

size_t m_neq

private

Number of equations/variables in the system.

Definition at line 100 of file IdasIntegrator.h.

◆ m_ida_mem

void* m_ida_mem = nullptr

private

Pointer to the IDA memory for the problem.

Definition at line 101 of file IdasIntegrator.h.

◆ m_linsol

void* m_linsol = nullptr

private

Sundials linear solver object.

Definition at line 102 of file IdasIntegrator.h.

◆ m_linsol_matrix

void* m_linsol_matrix = nullptr

private

matrix used by Sundials

Definition at line 103 of file IdasIntegrator.h.

◆ m_sundials_ctx

SundialsContext m_sundials_ctx

private

SUNContext object for Sundials>=6.0.

Definition at line 104 of file IdasIntegrator.h.

◆ m_func

FuncEval* m_func = nullptr

private

Object implementing the DAE residual function \( f(t, y, \dot{y}) = 0 \).

Definition at line 107 of file IdasIntegrator.h.

◆ m_t0

double m_t0 = 0.0

private

The start time for the integrator.

Definition at line 109 of file IdasIntegrator.h.

◆ m_time

double m_time

private

The current integrator time, corresponding to m_y.

Definition at line 110 of file IdasIntegrator.h.

◆ m_tInteg

double m_tInteg

private

The latest time reached by the integrator. May be greater than m_time.

Definition at line 113 of file IdasIntegrator.h.

◆ m_y

N_Vector m_y = nullptr

private

The current system state.

Definition at line 115 of file IdasIntegrator.h.

◆ m_ydot

N_Vector m_ydot = nullptr

private

The time derivatives of the system state.

Definition at line 116 of file IdasIntegrator.h.

◆ m_abstol

N_Vector m_abstol = nullptr

private

Absolute tolerances for each state variable.

Definition at line 117 of file IdasIntegrator.h.

◆ m_type

string m_type = "DENSE"

private

The linear solver type.

See also: setLinearSolverType()

Definition at line 118 of file IdasIntegrator.h.

◆ m_itol

int m_itol

private

Flag indicating whether scalar (IDA_SS) or vector (IDA_SV) absolute tolerances are being used.

Definition at line 122 of file IdasIntegrator.h.

◆ m_maxord

int m_maxord = 0

private

Maximum order allowed for the BDF method.

Definition at line 124 of file IdasIntegrator.h.

◆ m_reltol

double m_reltol = 1.0e-9

private

Relative tolerance for all state variables.

Definition at line 125 of file IdasIntegrator.h.

◆ m_abstols

double m_abstols = 1.0e-15

private

Scalar absolute tolerance.

Definition at line 126 of file IdasIntegrator.h.

◆ m_reltolsens

double m_reltolsens

private

Scalar relative tolerance for sensitivities.

Definition at line 127 of file IdasIntegrator.h.

◆ m_abstolsens

double m_abstolsens

private

Scalar absolute tolerance for sensitivities.

Definition at line 128 of file IdasIntegrator.h.

◆ m_nabs

size_t m_nabs = 0

private

! Number of variables for which absolute tolerances were provided

Definition at line 131 of file IdasIntegrator.h.

◆ m_hmax

double m_hmax = 0.0

private

Maximum time step size. Zero means infinity.

Definition at line 133 of file IdasIntegrator.h.

◆ m_maxsteps

int m_maxsteps = 20000

private

Maximum number of internal steps taken in a call to integrate()

Definition at line 136 of file IdasIntegrator.h.

◆ m_maxErrTestFails

int m_maxErrTestFails = -1

private

Maximum number of error test failures in attempting one step.

Definition at line 139 of file IdasIntegrator.h.

◆ m_np

size_t m_np

private

Number of sensitivity parameters.

Definition at line 141 of file IdasIntegrator.h.

◆ m_yS

N_Vector* m_yS = nullptr

private

Sensitivities of y, size m_np by m_neq.

Definition at line 142 of file IdasIntegrator.h.

◆ m_ySdot

N_Vector* m_ySdot = nullptr

private

Sensitivities of ydot, size m_np by m_neq.

Definition at line 143 of file IdasIntegrator.h.

◆ m_constraints

N_Vector m_constraints = nullptr

private

Definition at line 144 of file IdasIntegrator.h.

◆ m_sens_ok

bool m_sens_ok

private

Indicates whether the sensitivities stored in m_yS and m_ySdot have been updated for the current integrator time.

Definition at line 148 of file IdasIntegrator.h.

◆ m_maxNonlinIters

int m_maxNonlinIters = 0

private

Maximum number of nonlinear solver iterations at one solution.

If zero, this is the default of 4.

Definition at line 154 of file IdasIntegrator.h.

◆ m_maxNonlinConvFails

int m_maxNonlinConvFails = -1

private

Maximum number of nonlinear convergence failures.

Definition at line 157 of file IdasIntegrator.h.

◆ m_setSuppressAlg

bool m_setSuppressAlg = false

private

If true, the algebraic variables don't contribute to error tolerances.

Definition at line 160 of file IdasIntegrator.h.

◆ m_init_step

double m_init_step = 1e-14

private

Initial IDA step size.

Definition at line 163 of file IdasIntegrator.h.

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

Detailed Description

Public Member Functions

Public Attributes

Protected Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Constructor & Destructor Documentation

◆ IdasIntegrator()

◆ ~IdasIntegrator()

Member Function Documentation

◆ setTolerances() [1/2]

◆ setTolerances() [2/2]

◆ setSensitivityTolerances()

◆ setLinearSolverType()

◆ initialize()

◆ reinitialize()

◆ integrate()

◆ step()

◆ solution() [1/2]

◆ solution() [2/2]

◆ nEquations()

◆ maxOrder()

◆ setMaxOrder()

◆ setMaxStepSize()

◆ setMaxSteps()

◆ maxSteps()

◆ setMaxErrTestFails()

◆ solverStats()

◆ nSensParams()

◆ sensitivity()

◆ getErrorInfo()

◆ maxNonlinIterations()

◆ setMaxNonlinIterations()

◆ maxNonlinConvFailures()

◆ setMaxNonlinConvFailures()

◆ algebraicInErrorTest()

◆ includeAlgebraicInErrorTest()

◆ setMethod()

◆ applyOptions()

◆ sensInit()

◆ checkError()

Member Data Documentation

◆ m_error_message

◆ m_neq

◆ m_ida_mem

◆ m_linsol

◆ m_linsol_matrix

◆ m_sundials_ctx

◆ m_func

◆ m_t0

◆ m_time

◆ m_tInteg

◆ m_y

◆ m_ydot

◆ m_abstol

◆ m_type

◆ m_itol

◆ m_maxord

◆ m_reltol

◆ m_abstols

◆ m_reltolsens

◆ m_abstolsens

◆ m_nabs

◆ m_hmax

◆ m_maxsteps

◆ m_maxErrTestFails

◆ m_np

◆ m_yS

◆ m_ySdot

◆ m_constraints

◆ m_sens_ok

◆ m_maxNonlinIters

◆ m_maxNonlinConvFails

◆ m_setSuppressAlg

◆ m_init_step