Wrapper for Sundials IDA solver. More...

#include <IDA_Solver.h>

Inheritance diagram for IDA_Solver:

Collaboration diagram for IDA_Solver:

Public Member Functions
	IDA_Solver (ResidJacEval &f)
	Constructor. More...

virtual void	setTolerances (doublereal reltol, doublereal *abstol)
	Set error tolerances. More...

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

virtual void	setLinearSolverType (int solverType)

virtual void	setDenseLinearSolver ()
	Set up the problem to use a dense linear direct solver. More...

virtual void	setBandedLinearSolver (int m_upper, int m_lower)
	Set up the problem to use a band solver. More...

virtual void	setMaxOrder (int n)

virtual void	setMaxNumSteps (int n)
	Set the maximum number of time steps. More...

virtual void	setInitialStepSize (doublereal h0)
	Set the initial step size. More...

virtual void	setStopTime (doublereal tstop)
	Set the stop time. More...

virtual double	getCurrentStepFromIDA ()
	Get the current step size from IDA via a call. More...

virtual void	setJacobianType (int formJac)
	Set the form of the Jacobian. More...

virtual void	setMaxErrTestFailures (int n)

virtual void	setMaxNonlinIterations (int n)
	Set the maximum number of nonlinear iterations on a timestep. More...

virtual void	setMaxNonlinConvFailures (int n)
	Set the maximum number of nonlinear solver convergence failures. More...

virtual void	inclAlgebraicInErrorTest (bool yesno)

virtual doublereal	getOutputParameter (int flag) const
	Get the value of a solver-specific output parameter. More...

virtual void	correctInitial_Y_given_Yp (doublereal y, doublereal yp, doublereal tout)
	Calculate consistent value of the starting solution given the starting solution derivatives. More...

virtual void	correctInitial_YaYp_given_Yd (doublereal y, doublereal yp, doublereal tout)
	Calculate consistent value of the algebraic constraints and derivatives at the start of the problem. More...

virtual int	solve (doublereal tout)
	Step the system to a final value of the time. More...

virtual doublereal	step (doublereal tout)
	Take one internal step. More...

virtual void	init (doublereal t0)
	initialize. More...

virtual doublereal	solution (int k) const
	the current value of solution component k. More...

virtual const doublereal *	solutionVector () const

virtual doublereal	derivative (int k) const
	the current value of the derivative of solution component k. More...

virtual const doublereal *	derivativeVector () const

void *	IDAMemory ()

Public Member Functions inherited from DAE_Solver
	DAE_Solver (ResidJacEval &f)

void	setJacobian (Jacobian &jac)
	Specify a Jacobian evaluator. More...

virtual void	setMaxStepSize (doublereal dtmax)

int	nEquations () const
	Number of equations. More...

virtual void	setInputParameter (int flag, doublereal value)
	Set a solver-specific input parameter. More...

Protected Attributes
void *	m_ida_mem
	Pointer to the IDA memory for the problem. More...

void *	m_linsol
	Sundials linear solver object. More...

void *	m_linsol_matrix
	matrix used by Sundials More...

doublereal	m_t0
	Initial value of the time. More...

N_Vector	m_y
	Current value of the solution vector. More...

N_Vector	m_ydot
	Current value of the derivative of the solution vector. More...

N_Vector	m_id

N_Vector	m_constraints

N_Vector	m_abstol

int	m_type

int	m_itol

int	m_iter

doublereal	m_reltol

doublereal	m_abstols

int	m_nabs

doublereal	m_hmax
	Maximum value of the timestep allowed. More...

doublereal	m_hmin
	Minimum value of the timestep allowed. More...

doublereal	m_h0
	Value of the initial time step. More...

int	m_maxsteps
	Maximum number of time steps allowed. More...

int	m_maxord
	maximum time step order of the method More...

int	m_formJac
	Form of the Jacobian. More...

doublereal	m_tstop
	maximum time More...

doublereal	m_told_old
	Value of the previous, previous time. More...

doublereal	m_told
	Value of the previous time. More...

doublereal	m_tcurrent
	Value of the current time. More...

doublereal	m_deltat
	Value of deltaT for the current step. More...

int	m_maxErrTestFails
	maximum number of error test failures More...

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

int	m_maxNonlinConvFails
	Maximum number of nonlinear convergence failures. More...

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

std::unique_ptr< ResidData >	m_fdata

int	m_mupper

int	m_mlower

Protected Attributes inherited from DAE_Solver
doublereal	m_dummy

ResidJacEval &	m_resid

integer	m_neq
	Number of total equations in the system. More...

doublereal	m_time

Detailed Description

Wrapper for Sundials IDA solver.

Attention: This class currently does not have any test cases or examples. Its implementation may be incomplete, and future changes to Cantera may unexpectedly cause this class to stop working. If you use this class, please consider contributing examples or test cases. In the absence of new tests or examples, this class may be deprecated and removed in a future version of Cantera. See https://github.com/Cantera/cantera/issues/267 for additional information.

Definition at line 40 of file IDA_Solver.h.

Constructor & Destructor Documentation

◆ IDA_Solver()

IDA_Solver ( ResidJacEval & f )

Constructor.

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

Parameters

f	Function that will supply the time dependent residual to be solved

Definition at line 150 of file IDA_Solver.cpp.

Member Function Documentation

◆ setTolerances() [1/2]

void setTolerances	(	doublereal	reltol,
		doublereal *	abstol
	)

virtual

Set error tolerances.

This version specifies a scalar relative tolerance, and a vector absolute tolerance.

Reimplemented from DAE_Solver.

Definition at line 224 of file IDA_Solver.cpp.

◆ setTolerances() [2/2]

void setTolerances	(	doublereal	reltol,
		doublereal	abstol
	)

virtual

Set error tolerances.

This version specifies a scalar relative tolerance, and a scalar absolute tolerance.

Reimplemented from DAE_Solver.

Definition at line 243 of file IDA_Solver.cpp.

◆ setDenseLinearSolver()

void setDenseLinearSolver ( )

virtual

Set up the problem to use a dense linear direct solver.

Reimplemented from DAE_Solver.

Definition at line 262 of file IDA_Solver.cpp.

◆ setBandedLinearSolver()

void setBandedLinearSolver	(	int	m_upper,
		int	m_lower
	)

virtual

Set up the problem to use a band solver.

Parameters

m_upper	upper band width of the matrix
m_lower	lower band width of the matrix

Reimplemented from DAE_Solver.

Definition at line 267 of file IDA_Solver.cpp.

◆ setMaxNumSteps()

void setMaxNumSteps ( int n )

virtual

Set the maximum number of time steps.

Parameters

n	input of maximum number of time steps

Reimplemented from DAE_Solver.

Definition at line 279 of file IDA_Solver.cpp.

References IDA_Solver::m_maxsteps.

◆ setInitialStepSize()

void setInitialStepSize ( doublereal h0 )

virtual

Set the initial step size.

Parameters

h0	initial step size value

Reimplemented from DAE_Solver.

Definition at line 284 of file IDA_Solver.cpp.

References IDA_Solver::m_h0.

◆ setStopTime()

void setStopTime ( doublereal tstop )

virtual

Set the stop time.

Parameters

tstop the independent variable value past which the solution is not to proceed.

Reimplemented from DAE_Solver.

Definition at line 289 of file IDA_Solver.cpp.

References IDA_Solver::m_tstop.

◆ getCurrentStepFromIDA()

doublereal getCurrentStepFromIDA ( )

virtual

Get the current step size from IDA via a call.

Returns: the current step size.

Definition at line 294 of file IDA_Solver.cpp.

References IDA_Solver::m_ida_mem.

Referenced by ida_jacobian(), and ida_resid().

◆ setJacobianType()

void setJacobianType ( int formJac )

virtual

Set the form of the Jacobian.

Parameters

formJac Form of the Jacobian 0 numerical Jacobian 1 analytical Jacobian given by the evalJacobianDP() function

Definition at line 301 of file IDA_Solver.cpp.

References ida_jacobian(), IDA_Solver::m_formJac, and IDA_Solver::m_ida_mem.

◆ setMaxNonlinIterations()

void setMaxNonlinIterations ( int n )

virtual

Set the maximum number of nonlinear iterations on a timestep.

Parameters

n	Set the max iterations. The default is 4, which seems awfully low to me.

Reimplemented from DAE_Solver.

Definition at line 322 of file IDA_Solver.cpp.

References IDA_Solver::m_maxNonlinIters.

◆ setMaxNonlinConvFailures()

void setMaxNonlinConvFailures ( int n )

virtual

Set the maximum number of nonlinear solver convergence failures.

Parameters

n	Value of nonlin failures. If value is exceeded, the calculation terminates.

Reimplemented from DAE_Solver.

Definition at line 327 of file IDA_Solver.cpp.

References IDA_Solver::m_maxNonlinConvFails.

◆ getOutputParameter()

doublereal getOutputParameter ( int flag ) const

virtual

Get the value of a solver-specific output parameter.

Reimplemented from DAE_Solver.

Definition at line 662 of file IDA_Solver.cpp.

◆ correctInitial_Y_given_Yp()

void correctInitial_Y_given_Yp	(	doublereal *	y,
		doublereal *	yp,
		doublereal	tout
	)

virtual

Calculate consistent value of the starting solution given the starting solution derivatives.

This method may be called if the initial conditions do not satisfy the residual equation F = 0. Given the derivatives of all variables, this method computes the initial y values.

Reimplemented from DAE_Solver.

Definition at line 547 of file IDA_Solver.cpp.

References IDA_Solver::m_h0, IDA_Solver::m_ida_mem, DAE_Solver::m_neq, IDA_Solver::m_t0, IDA_Solver::m_y, and IDA_Solver::m_ydot.

◆ correctInitial_YaYp_given_Yd()

void correctInitial_YaYp_given_Yd	(	doublereal *	y,
		doublereal *	yp,
		doublereal	tout
	)

virtual

Calculate consistent value of the algebraic constraints and derivatives at the start of the problem.

This method may be called if the initial conditions do not satisfy the residual equation F = 0. Given the initial values of all differential variables, it computes the initial values of all algebraic variables and the initial derivatives of all differential variables.

Parameters

y	Calculated value of the solution vector after the procedure ends
yp	Calculated value of the solution derivative after the procedure
tout	The first value of t at which a soluton will be requested (from IDASolve). (This is needed here to determine the direction of integration and rough scale in the independent variable t.

Reimplemented from DAE_Solver.

Definition at line 575 of file IDA_Solver.cpp.

References IDA_Solver::m_h0, IDA_Solver::m_ida_mem, DAE_Solver::m_neq, IDA_Solver::m_t0, IDA_Solver::m_y, and IDA_Solver::m_ydot.

◆ solve()

int solve ( doublereal tout )

virtual

Step the system to a final value of the time.

Parameters

tout	Final value of the time

Returns: the IDASolve() return flag

The return values for IDASolve are described below. (The numerical return values are defined above in this file.) All unsuccessful returns give a negative return value.

IDA_SUCCESS IDASolve succeeded and no roots were found.

IDA_ROOT_RETURN: IDASolve succeeded, and found one or more roots. If nrtfn > 1, call IDAGetRootInfo to see which g_i were found to have a root at (*tret).

IDA_TSTOP_RETURN: IDASolve returns computed results for the independent variable value tstop. That is, tstop was reached.

IDA_MEM_NULL: The IDA_mem argument was NULL.

IDA_ILL_INPUT: One of the inputs to IDASolve is illegal. This includes the situation when a component of the error weight vectors becomes < 0 during internal stepping. It also includes the situation where a root of one of the root functions was found both at t0 and very near t0. The ILL_INPUT flag will also be returned if the linear solver function IDA— (called by the user after calling IDACreate) failed to set one of the linear solver-related fields in ida_mem or if the linear solver's init routine failed. In any case, the user should see the printed error message for more details.

IDA_TOO_MUCH_WORK: The solver took mxstep internal steps but could not reach tout. The default value for mxstep is MXSTEP_DEFAULT = 500.

IDA_TOO_MUCH_ACC: The solver could not satisfy the accuracy demanded by the user for some internal step.

IDA_ERR_FAIL: Error test failures occurred too many times (=MXETF = 10) during one internal step.

IDA_CONV_FAIL: Convergence test failures occurred too many times (= MXNCF = 10) during one internal step.

IDA_LSETUP_FAIL: The linear solver's setup routine failed in an unrecoverable manner.

IDA_LSOLVE_FAIL: The linear solver's solve routine failed in an unrecoverable manner.

IDA_CONSTR_FAIL: The inequality constraints were violated, and the solver was unable to recover.

IDA_REP_RES_ERR: The user's residual function repeatedly returned a recoverable error flag, but the solver was unable to recover.

IDA_RES_FAIL: The user's residual function returned a nonrecoverable error flag.

Reimplemented from DAE_Solver.

Definition at line 604 of file IDA_Solver.cpp.

References IDA_Solver::m_deltat, IDA_Solver::m_ida_mem, IDA_Solver::m_tcurrent, IDA_Solver::m_told, IDA_Solver::m_told_old, IDA_Solver::m_y, and IDA_Solver::m_ydot.

◆ step()

double step ( doublereal tout )

virtual

Take one internal step.

Reimplemented from DAE_Solver.

Definition at line 638 of file IDA_Solver.cpp.

References IDA_Solver::m_deltat, IDA_Solver::m_ida_mem, IDA_Solver::m_tcurrent, IDA_Solver::m_told, IDA_Solver::m_told_old, IDA_Solver::m_y, and IDA_Solver::m_ydot.

◆ init()

void init ( doublereal t0 )

virtual

initialize.

Base class method does nothing.

Reimplemented from DAE_Solver.

Definition at line 341 of file IDA_Solver.cpp.

References ResidJacEval::getInitialConditions(), IDA_Solver::m_ida_mem, DAE_Solver::m_neq, IDA_Solver::m_t0, IDA_Solver::m_tcurrent, IDA_Solver::m_told, IDA_Solver::m_told_old, IDA_Solver::m_y, and IDA_Solver::m_ydot.

◆ solution()

doublereal solution ( int k ) const

virtual

the current value of solution component k.

Reimplemented from DAE_Solver.

Definition at line 204 of file IDA_Solver.cpp.

References IDA_Solver::m_y.

◆ derivative()

doublereal derivative ( int k ) const

virtual

the current value of the derivative of solution component k.

Reimplemented from DAE_Solver.

Definition at line 214 of file IDA_Solver.cpp.

References IDA_Solver::m_ydot.

Member Data Documentation

◆ m_ida_mem

void* m_ida_mem

protected

Pointer to the IDA memory for the problem.

Definition at line 225 of file IDA_Solver.h.

Referenced by IDA_Solver::correctInitial_Y_given_Yp(), IDA_Solver::correctInitial_YaYp_given_Yd(), IDA_Solver::getCurrentStepFromIDA(), IDA_Solver::init(), IDA_Solver::setJacobianType(), IDA_Solver::solve(), and IDA_Solver::step().

◆ m_linsol

void* m_linsol

protected

Sundials linear solver object.

Definition at line 226 of file IDA_Solver.h.

◆ m_linsol_matrix

void* m_linsol_matrix

protected

matrix used by Sundials

Definition at line 227 of file IDA_Solver.h.

◆ m_t0

doublereal m_t0

protected

Initial value of the time.

Definition at line 230 of file IDA_Solver.h.

Referenced by IDA_Solver::correctInitial_Y_given_Yp(), IDA_Solver::correctInitial_YaYp_given_Yd(), and IDA_Solver::init().

◆ m_y

N_Vector m_y

protected

Current value of the solution vector.

Definition at line 233 of file IDA_Solver.h.

Referenced by IDA_Solver::correctInitial_Y_given_Yp(), IDA_Solver::correctInitial_YaYp_given_Yd(), IDA_Solver::init(), IDA_Solver::solution(), IDA_Solver::solve(), and IDA_Solver::step().

◆ m_ydot

N_Vector m_ydot

protected

Current value of the derivative of the solution vector.

Definition at line 236 of file IDA_Solver.h.

Referenced by IDA_Solver::correctInitial_Y_given_Yp(), IDA_Solver::correctInitial_YaYp_given_Yd(), IDA_Solver::derivative(), IDA_Solver::init(), IDA_Solver::solve(), and IDA_Solver::step().

◆ m_hmax

doublereal m_hmax

protected

Maximum value of the timestep allowed.

Definition at line 249 of file IDA_Solver.h.

◆ m_hmin

doublereal m_hmin

protected

Minimum value of the timestep allowed.

Definition at line 252 of file IDA_Solver.h.

◆ m_h0

doublereal m_h0

protected

Value of the initial time step.

Definition at line 255 of file IDA_Solver.h.

Referenced by IDA_Solver::correctInitial_Y_given_Yp(), IDA_Solver::correctInitial_YaYp_given_Yd(), and IDA_Solver::setInitialStepSize().

◆ m_maxsteps

int m_maxsteps

protected

Maximum number of time steps allowed.

Definition at line 258 of file IDA_Solver.h.

Referenced by IDA_Solver::setMaxNumSteps().

◆ m_maxord

int m_maxord

protected

maximum time step order of the method

Definition at line 261 of file IDA_Solver.h.

◆ m_formJac

int m_formJac

protected

Form of the Jacobian.

0 numerical Jacobian created by IDA 1 analytical Jacobian. Must have populated the evalJacobianDP() function in the ResidJacEval class. 2 numerical Jacobian formed by the ResidJacEval class (unimplemented)

Definition at line 270 of file IDA_Solver.h.

Referenced by IDA_Solver::setJacobianType().

◆ m_tstop

doublereal m_tstop

protected

maximum time

Definition at line 273 of file IDA_Solver.h.

Referenced by IDA_Solver::setStopTime().

◆ m_told_old

doublereal m_told_old

protected

Value of the previous, previous time.

Definition at line 276 of file IDA_Solver.h.

Referenced by IDA_Solver::init(), IDA_Solver::solve(), and IDA_Solver::step().

◆ m_told

doublereal m_told

protected

Value of the previous time.

Definition at line 279 of file IDA_Solver.h.

Referenced by IDA_Solver::init(), IDA_Solver::solve(), and IDA_Solver::step().

◆ m_tcurrent

doublereal m_tcurrent

protected

Value of the current time.

Definition at line 282 of file IDA_Solver.h.

Referenced by IDA_Solver::init(), IDA_Solver::solve(), and IDA_Solver::step().

◆ m_deltat

doublereal m_deltat

protected

Value of deltaT for the current step.

Definition at line 285 of file IDA_Solver.h.

Referenced by IDA_Solver::solve(), and IDA_Solver::step().

◆ m_maxErrTestFails

int m_maxErrTestFails

protected

maximum number of error test failures

Definition at line 288 of file IDA_Solver.h.

◆ m_maxNonlinIters

int m_maxNonlinIters

protected

Maximum number of nonlinear solver iterations at one solution.

If zero, this is the default of 4.

Definition at line 294 of file IDA_Solver.h.

Referenced by IDA_Solver::setMaxNonlinIterations().

◆ m_maxNonlinConvFails

int m_maxNonlinConvFails

protected

Maximum number of nonlinear convergence failures.

Definition at line 297 of file IDA_Solver.h.

Referenced by IDA_Solver::setMaxNonlinConvFailures().

◆ m_setSuppressAlg

int m_setSuppressAlg

protected

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

Definition at line 300 of file IDA_Solver.h.

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

Public Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ IDA_Solver()

Member Function Documentation

◆ setTolerances() [1/2]

◆ setTolerances() [2/2]

◆ setDenseLinearSolver()

◆ setBandedLinearSolver()

◆ setMaxNumSteps()

◆ setInitialStepSize()

◆ setStopTime()

◆ getCurrentStepFromIDA()

◆ setJacobianType()

◆ setMaxNonlinIterations()

◆ setMaxNonlinConvFailures()

◆ getOutputParameter()

◆ correctInitial_Y_given_Yp()

◆ correctInitial_YaYp_given_Yd()

◆ solve()

◆ step()

◆ init()

◆ solution()

◆ derivative()

Member Data Documentation

◆ m_ida_mem

◆ m_linsol

◆ m_linsol_matrix

◆ m_t0

◆ m_y

◆ m_ydot

◆ m_hmax

◆ m_hmin

◆ m_h0

◆ m_maxsteps

◆ m_maxord

◆ m_formJac

◆ m_tstop

◆ m_told_old

◆ m_told

◆ m_tcurrent

◆ m_deltat

◆ m_maxErrTestFails

◆ m_maxNonlinIters

◆ m_maxNonlinConvFails

◆ m_setSuppressAlg