NAG CL Interface
d03pjc (dim1_parab_dae_coll)
1
Purpose
d03pjc integrates a system of linear or nonlinear parabolic partial differential equations (PDEs), in one space variable with scope for coupled ordinary differential equations (ODEs). The spatial discretization is performed using a Chebyshev collocation method, and the method of lines is employed to reduce the PDEs to a system of ODEs. The resulting system is solved using a backward differentiation formula (BDF) method or a Theta method (switching between Newton's method and functional iteration).
2
Specification
void |
d03pjc (Integer npde,
Integer m,
double *ts,
double tout,
void |
(*pdedef)(Integer npde,
double t,
const double x[],
Integer nptl,
const double u[],
const double ux[],
Integer nv,
const double v[],
const double vdot[],
double p[],
double q[],
double r[],
Integer *ires,
Nag_Comm *comm),
|
|
void |
(*bndary)(Integer npde,
double t,
const double u[],
const double ux[],
Integer nv,
const double v[],
const double vdot[],
Integer ibnd,
double beta[],
double gamma[],
Integer *ires,
Nag_Comm *comm),
|
|
double u[],
Integer nbkpts,
const double xbkpts[],
Integer npoly,
Integer npts,
double x[],
Integer nv,
void |
(*odedef)(Integer npde,
double t,
Integer nv,
const double v[],
const double vdot[],
Integer nxi,
const double xi[],
const double ucp[],
const double ucpx[],
const double rcp[],
const double ucpt[],
const double ucptx[],
double f[],
Integer *ires,
Nag_Comm *comm),
|
|
Integer nxi,
const double xi[],
Integer neqn,
const double rtol[],
const double atol[],
Integer itol,
Nag_NormType norm,
Nag_LinAlgOption laopt,
const double algopt[],
double rsave[],
Integer lrsave,
Integer isave[],
Integer lisave,
Integer itask,
Integer itrace,
const char *outfile,
Integer *ind,
Nag_Comm *comm, Nag_D03_Save *saved,
NagError *fail) |
|
The function may be called by the names: d03pjc, nag_pde_dim1_parab_dae_coll or nag_pde_parab_1d_coll_ode.
3
Description
d03pjc integrates the system of parabolic-elliptic equations and coupled ODEs
where
(1) defines the PDE part and
(2) generalizes the coupled ODE part of the problem.
In
(1),
and
depend on
,
,
,
, and
;
depends on
,
,
,
,
and
linearly on
. The vector
is the set of PDE solution values
and the vector
is the partial derivative with respect to
. Note that
,
and
must not depend on
. The vector
is the set of ODE solution values
and
denotes its derivative with respect to time.
In
(2),
represents a vector of
spatial coupling points at which the ODEs are coupled to the PDEs. These points may or may not be equal to some of the PDE spatial mesh points.
,
,
,
and
are the functions
,
,
,
and
evaluated at these coupling points. Each
may only depend linearly on time derivatives. Hence the equation
(2) may be written more precisely as
where
,
is a vector of length
nv,
is an
nv by
nv matrix,
is an
nv by
matrix and the entries in
,
and
may depend on
,
,
,
and
. In practice you need only supply a vector of information to define the ODEs and not the matrices
and
. (See
Section 5 for the specification of
odedef.)
The integration in time is from to , over the space interval , where and are the leftmost and rightmost of a user-defined set of break-points . The coordinate system in space is defined by the value of ; for Cartesian coordinates, for cylindrical polar coordinates and for spherical polar coordinates.
The PDE system which is defined by the functions
,
and
must be specified in
pdedef.
The initial values of the functions
and
must be given at
. These values are calculated in
uvinit.
The functions
which may be thought of as fluxes, are also used in the definition of the boundary conditions. The boundary conditions must have the form
where
or
. The functions
may only depend
linearly on
.
The boundary conditions must be specified in
bndary.
The algebraic-differential equation system which is defined by the functions
must be specified in
odedef. You must also specify the coupling points
in the array
xi. Thus, the problem is subject to the following restrictions:
-
(i)
in (1), , for , may only appear linearly in the functions
, for , with a similar restriction for ;
-
(ii) and the flux must not depend on any time derivatives;
-
(iii), so that integration is in the forward direction;
-
(iv)the evaluation of the functions , and is done at both the break-points and internally selected points for each element in turn, that is , and are evaluated twice at each break-point. Any discontinuities in these functions must therefore be at one or more of the mesh points;
-
(v)at least one of the functions must be nonzero so that there is a time derivative present in the PDE problem;
-
(vi)if and , which is the left boundary point, then it must be ensured that the PDE solution is bounded at this point. This can be done either by specifying the solution at or by specifying a zero flux there, that is and .
The parabolic equations are approximated by a system of ODEs in time for the values of
at the mesh points. This ODE system is obtained by approximating the PDE solution between each pair of break-points by a Chebyshev polynomial of degree
npoly. The interval between each pair of break-points is treated by
d03pjc as an element, and on this element, a polynomial and its space and time derivatives are made to satisfy the system of PDEs at
spatial points, which are chosen internally by the code and the break-points. The user-defined break-points and the internally selected points together define the mesh. The smallest value that
npoly can take is one, in which case, the solution is approximated by piecewise linear polynomials between consecutive break-points and the method is similar to an ordinary finite element method.
In total there are
mesh points in the spatial direction, and
ODEs in the time direction; one ODE at each break-point for each PDE component,
ODEs for each PDE component between each pair of break-points, and
nv coupled ODEs. The system is then integrated forwards in time using a Backward Differentiation Formula (BDF) method or a Theta method.
4
References
Berzins M (1990) Developments in the NAG Library software for parabolic equations Scientific Software Systems (eds J C Mason and M G Cox) 59–72 Chapman and Hall
Berzins M and Dew P M (1991) Algorithm 690: Chebyshev polynomial software for elliptic-parabolic systems of PDEs ACM Trans. Math. Software 17 178–206
Berzins M, Dew P M and Furzeland R M (1988) Software tools for time-dependent equations in simulation and optimization of large systems Proc. IMA Conf. Simulation and Optimization (ed A J Osiadcz) 35–50 Clarendon Press, Oxford
Berzins M and Furzeland R M (1992) An adaptive theta method for the solution of stiff and nonstiff differential equations Appl. Numer. Math. 9 1–19
Zaturska N B, Drazin P G and Banks W H H (1988) On the flow of a viscous fluid driven along a channel by a suction at porous walls Fluid Dynamics Research 4
5
Arguments
-
1:
– Integer
Input
-
On entry: the number of PDEs to be solved.
Constraint:
.
-
2:
– Integer
Input
-
On entry: the coordinate system used:
- Indicates Cartesian coordinates.
- Indicates cylindrical polar coordinates.
- Indicates spherical polar coordinates.
Constraint:
, or .
-
3:
– double *
Input/Output
-
On entry: the initial value of the independent variable .
On exit: the value of
corresponding to the solution values in
u. Normally
.
Constraint:
.
-
4:
– double
Input
-
On entry: the final value of to which the integration is to be carried out.
-
5:
– function, supplied by the user
External Function
-
pdedef must compute the functions
,
and
which define the system of PDEs. The functions may depend on
,
,
,
and
;
may depend linearly on
. The functions must be evaluated at a set of points.
The specification of
pdedef is:
void |
pdedef (Integer npde,
double t,
const double x[],
Integer nptl,
const double u[],
const double ux[],
Integer nv,
const double v[],
const double vdot[],
double p[],
double q[],
double r[],
Integer *ires,
Nag_Comm *comm)
|
|
-
1:
– Integer
Input
-
On entry: the number of PDEs in the system.
-
2:
– double
Input
-
On entry: the current value of the independent variable .
-
3:
– const double
Input
-
On entry: contains a set of mesh points at which , and are to be evaluated. and contain successive user-supplied break-points and the elements of the array will satisfy .
-
4:
– Integer
Input
-
On entry: the number of points at which evaluations are required (the value of ).
-
5:
– const double
Input
-
Note: the th element of the matrix is stored in .
On entry: contains the value of the component where , for and .
-
6:
– const double
Input
-
Note: the th element of the matrix is stored in .
On entry: contains the value of the component where , for and .
-
7:
– Integer
Input
-
On entry: the number of coupled ODEs in the system.
-
8:
– const double
Input
-
On entry: if , contains the value of the component , for .
-
9:
– const double
Input
-
On entry: if
,
contains the value of component
, for
.
Note:
, for , may only appear linearly in
, for .
-
10:
– double
Output
Note: the dimension,
dim, of the array
p
is
.
where appears in this document, it refers to the array element .
On exit: must be set to the value of where , for , and .
-
11:
– double
Output
-
Note: the th element of the matrix is stored in .
On exit: must be set to the value of where , for and .
-
12:
– double
Output
-
Note: the th element of the matrix is stored in .
On exit: must be set to the value of where , for and .
-
13:
– Integer *
Input/Output
-
On entry: set to .
On exit: should usually remain unchanged. However, you may set
ires to force the integration function to take certain actions as described below:
- Indicates to the integrator that control should be passed back immediately to the calling function with the error indicator set to NE_USER_STOP.
- Indicates to the integrator that the current time step should be abandoned and a smaller time step used instead. You may wish to set when a physically meaningless input or output value has been generated. If you consecutively set , d03pjc returns to the calling function with the error indicator set to NE_FAILED_DERIV.
-
14:
– Nag_Comm *
Pointer to structure of type Nag_Comm; the following members are relevant to
pdedef.
- user – double *
- iuser – Integer *
- p – Pointer
The type Pointer will be
void *. Before calling
d03pjc you may allocate memory and initialize these pointers with various quantities for use by
pdedef when called from
d03pjc (see
Section 3.1.1 in the Introduction to the NAG Library CL Interface).
Note: pdedef should not return floating-point NaN (Not a Number) or infinity values, since these are not handled by
d03pjc. If your code inadvertently
does return any NaNs or infinities,
d03pjc is likely to produce unexpected results.
-
6:
– function, supplied by the user
External Function
-
bndary must compute the functions
and
which define the boundary conditions as in equation
(4).
The specification of
bndary is:
void |
bndary (Integer npde,
double t,
const double u[],
const double ux[],
Integer nv,
const double v[],
const double vdot[],
Integer ibnd,
double beta[],
double gamma[],
Integer *ires,
Nag_Comm *comm)
|
|
-
1:
– Integer
Input
-
On entry: the number of PDEs in the system.
-
2:
– double
Input
-
On entry: the current value of the independent variable .
-
3:
– const double
Input
-
On entry:
contains the value of the component
at the boundary specified by
ibnd, for
.
-
4:
– const double
Input
-
On entry:
contains the value of the component
at the boundary specified by
ibnd, for
.
-
5:
– Integer
Input
-
On entry: the number of coupled ODEs in the system.
-
6:
– const double
Input
-
On entry: if , contains the value of the component , for .
-
7:
– const double
Input
-
On entry: if
,
contains the value of component
, for
.
Note:
, for , may only appear linearly in
, for .
-
8:
– Integer
Input
-
On entry: specifies which boundary conditions are to be evaluated.
- bndary must set up the coefficients of the left-hand boundary, .
- bndary must set up the coefficients of the right-hand boundary, .
-
9:
– double
Output
-
On exit:
must be set to the value of
at the boundary specified by
ibnd, for
.
-
10:
– double
Output
-
On exit:
must be set to the value of
at the boundary specified by
ibnd, for
.
-
11:
– Integer *
Input/Output
-
On entry: set to .
On exit: should usually remain unchanged. However, you may set
ires to force the integration function to take certain actions as described below:
- Indicates to the integrator that control should be passed back immediately to the calling function with the error indicator set to NE_USER_STOP.
- Indicates to the integrator that the current time step should be abandoned and a smaller time step used instead. You may wish to set when a physically meaningless input or output value has been generated. If you consecutively set , d03pjc returns to the calling function with the error indicator set to NE_FAILED_DERIV.
-
12:
– Nag_Comm *
Pointer to structure of type Nag_Comm; the following members are relevant to
bndary.
- user – double *
- iuser – Integer *
- p – Pointer
The type Pointer will be
void *. Before calling
d03pjc you may allocate memory and initialize these pointers with various quantities for use by
bndary when called from
d03pjc (see
Section 3.1.1 in the Introduction to the NAG Library CL Interface).
Note: bndary should not return floating-point NaN (Not a Number) or infinity values, since these are not handled by
d03pjc. If your code inadvertently
does return any NaNs or infinities,
d03pjc is likely to produce unexpected results.
-
7:
– double
Input/Output
-
On entry: if
the value of
u must be unchanged from the previous call.
On exit: the computed solution
, for
and
, and
, for
, evaluated at
, as follows:
-
contain , for and , and
-
contain , for .
-
8:
– Integer
Input
-
On entry: the number of break-points in the interval .
Constraint:
.
-
9:
– const double
Input
-
On entry: the values of the break-points in the space direction. must specify the left-hand boundary, , and must specify the right-hand boundary, .
Constraint:
.
-
10:
– Integer
Input
-
On entry: the degree of the Chebyshev polynomial to be used in approximating the PDE solution between each pair of break-points.
Constraint:
.
-
11:
– Integer
Input
-
On entry: the number of mesh points in the interval .
Constraint:
.
-
12:
– double
Output
-
On exit: the mesh points chosen by
d03pjc in the spatial direction. The values of
x will satisfy
.
-
13:
– Integer
Input
-
On entry: the number of coupled ODE components.
Constraint:
.
-
14:
– function, supplied by the user
External Function
-
odedef must evaluate the functions
, which define the system of ODEs, as given in
(3).
odedef will never be called and the NAG defined null void function pointer, NULLFN, can be supplied in the call to
d03pjc.
The specification of
odedef is:
void |
odedef (Integer npde,
double t,
Integer nv,
const double v[],
const double vdot[],
Integer nxi,
const double xi[],
const double ucp[],
const double ucpx[],
const double rcp[],
const double ucpt[],
const double ucptx[],
double f[],
Integer *ires,
Nag_Comm *comm)
|
|
-
1:
– Integer
Input
-
On entry: the number of PDEs in the system.
-
2:
– double
Input
-
On entry: the current value of the independent variable .
-
3:
– Integer
Input
-
On entry: the number of coupled ODEs in the system.
-
4:
– const double
Input
-
On entry: if , contains the value of the component , for .
-
5:
– const double
Input
-
On entry: if , contains the value of component , for .
-
6:
– Integer
Input
-
On entry: the number of ODE/PDE coupling points.
-
7:
– const double
Input
-
On entry: if , contains the ODE/PDE coupling points, , for .
-
8:
– const double
Input
-
Note: the th element of the matrix is stored in .
On entry: if , contains the value of at the coupling point , for and .
-
9:
– const double
Input
-
Note: the th element of the matrix is stored in .
On entry: if , contains the value of at the coupling point , for and .
-
10:
– const double
Input
-
Note: the th element of the matrix is stored in .
On entry: contains the value of the flux at the coupling point , for and .
-
11:
– const double
Input
-
Note: the th element of the matrix is stored in .
On entry: if , contains the value of at the coupling point , for and .
-
12:
– const double
Input
-
Note: the th element of the matrix is stored in .
On entry: contains the value of at the coupling point , for and .
-
13:
– double
Output
-
On exit:
must contain the
th component of
, for
, where
is defined as
or
The definition of
is determined by the input value of
ires.
-
14:
– Integer *
Input/Output
-
On entry: the form of
that must be returned in the array
f.
- Equation (5) must be used.
- Equation (6) must be used.
On exit: should usually remain unchanged. However, you may reset
ires to force the integration function to take certain actions as described below:
- Indicates to the integrator that control should be passed back immediately to the calling function with the error indicator set to NE_USER_STOP.
- Indicates to the integrator that the current time step should be abandoned and a smaller time step used instead. You may wish to set when a physically meaningless input or output value has been generated. If you consecutively set , d03pjc returns to the calling function with the error indicator set to NE_FAILED_DERIV.
-
15:
– Nag_Comm *
Pointer to structure of type Nag_Comm; the following members are relevant to
odedef.
- user – double *
- iuser – Integer *
- p – Pointer
The type Pointer will be
void *. Before calling
d03pjc you may allocate memory and initialize these pointers with various quantities for use by
odedef when called from
d03pjc (see
Section 3.1.1 in the Introduction to the NAG Library CL Interface).
Note: odedef should not return floating-point NaN (Not a Number) or infinity values, since these are not handled by
d03pjc. If your code inadvertently
does return any NaNs or infinities,
d03pjc is likely to produce unexpected results.
-
15:
– Integer
Input
-
On entry: the number of ODE/PDE coupling points.
Constraints:
- if , ;
- if , .
-
16:
– const double
Input
-
On entry: , for , must be set to the ODE/PDE coupling points.
Constraint:
.
-
17:
– Integer
Input
-
On entry: the number of ODEs in the time direction.
Constraint:
.
-
18:
– function, supplied by the user
External Function
-
uvinit must compute the initial values of the PDE and the ODE components
, for
and
, and
, for
.
The specification of
uvinit is:
void |
uvinit (Integer npde,
Integer npts,
const double x[],
double u[],
Integer nv,
double v[],
Nag_Comm *comm)
|
|
-
1:
– Integer
Input
-
On entry: the number of PDEs in the system.
-
2:
– Integer
Input
-
On entry: the number of mesh points in the interval .
-
3:
– const double
Input
-
On entry: , for , contains the current values of the space variable .
-
4:
– double
Output
-
Note: the th element of the matrix is stored in .
On exit:
contains the value of the component , for and .
-
5:
– Integer
Input
-
On entry: the number of coupled ODEs in the system.
-
6:
– double
Output
-
On exit: contains the value of component , for .
-
7:
– Nag_Comm *
Pointer to structure of type Nag_Comm; the following members are relevant to
uvinit.
- user – double *
- iuser – Integer *
- p – Pointer
The type Pointer will be
void *. Before calling
d03pjc you may allocate memory and initialize these pointers with various quantities for use by
uvinit when called from
d03pjc (see
Section 3.1.1 in the Introduction to the NAG Library CL Interface).
Note: uvinit should not return floating-point NaN (Not a Number) or infinity values, since these are not handled by
d03pjc. If your code inadvertently
does return any NaNs or infinities,
d03pjc is likely to produce unexpected results.
-
19:
– const double
Input
-
Note: the dimension,
dim, of the array
rtol
must be at least
- when or ;
- when or .
On entry: the relative local error tolerance.
Constraint:
for all relevant .
-
20:
– const double
Input
-
Note: the dimension,
dim, of the array
atol
must be at least
- when or ;
- when or .
On entry: the absolute local error tolerance.
Constraint:
for all relevant
.
Note: corresponding elements of
rtol and
atol cannot both be
.
-
21:
– Integer
Input
-
On entry: a value to indicate the form of the local error test.
itol indicates to
d03pjc whether to interpret either or both of
rtol or
atol as a vector or scalar. The error test to be satisfied is
, where
is defined as follows:
itol | rtol | atol | |
1 | scalar | scalar | |
2 | scalar | vector | |
3 | vector | scalar | |
4 | vector | vector | |
In the above, denotes the estimated local error for the th component of the coupled PDE/ODE system in time, , for .
The choice of norm used is defined by the argument
norm.
Constraint:
.
-
22:
– Nag_NormType
Input
-
On entry: the type of norm to be used.
- Maximum norm.
- Averaged norm.
If
denotes the norm of the vector
u of length
neqn, then for the averaged
norm
while for the maximum norm
See the description of
itol for the formulation of the weight vector
.
Constraint:
or .
-
23:
– Nag_LinAlgOption
Input
-
On entry: the type of matrix algebra required.
- Full matrix methods to be used.
- Banded matrix methods to be used.
- Sparse matrix methods to be used.
Constraint:
, or .
Note: you are recommended to use the banded option when no coupled ODEs are present (i.e., ).
-
24:
– const double
Input
-
On entry: may be set to control various options available in the integrator. If you wish to employ all the default options,
should be set to
. Default values will also be used for any other elements of
algopt set to zero. The permissible values, default values, and meanings are as follows:
- Selects the ODE integration method to be used. If , a BDF method is used and if , a Theta method is used. The default value is .
If ,
, for are not used.
- Specifies the maximum order of the BDF integration formula to be used. may be , , , or . The default value is .
- Specifies what method is to be used to solve the system of nonlinear equations arising on each step of the BDF method. If a modified Newton iteration is used and if a functional iteration method is used. If functional iteration is selected and the integrator encounters difficulty, there is an automatic switch to the modified Newton iteration. The default value is .
- Specifies whether or not the Petzold error test is to be employed. The Petzold error test results in extra overhead but is more suitable when algebraic equations are present, such as
, for , for some or when there is no dependence in the coupled ODE system. If , the Petzold test is used. If , the Petzold test is not used. The default value is .
If ,
, for , are not used.
- Specifies the value of Theta to be used in the Theta integration method. . The default value is .
- Specifies what method is to be used to solve the system of nonlinear equations arising on each step of the Theta method. If , a modified Newton iteration is used and if , a functional iteration method is used. The default value is .
- Specifies whether or not the integrator is allowed to switch automatically between modified Newton and functional iteration methods in order to be more efficient. If , switching is allowed and if , switching is not allowed. The default value is .
- Specifies a point in the time direction, , beyond which integration must not be attempted. The use of is described under the argument itask. If , a value of for , say, should be specified even if itask subsequently specifies that will not be used.
- Specifies the minimum absolute step size to be allowed in the time integration. If this option is not required, should be set to .
- Specifies the maximum absolute step size to be allowed in the time integration. If this option is not required, should be set to .
- Specifies the initial step size to be attempted by the integrator. If , the initial step size is calculated internally.
- Specifies the maximum number of steps to be attempted by the integrator in any one call. If , no limit is imposed.
- Specifies what method is to be used to solve the nonlinear equations at the initial point to initialize the values of , , and . If , a modified Newton iteration is used and if , functional iteration is used. The default value is .
and are used only for the sparse matrix algebra option, .
- Governs the choice of pivots during the decomposition of the first Jacobian matrix. It should lie in the range , with smaller values biasing the algorithm towards maintaining sparsity at the expense of numerical stability. If lies outside this range then the default value is used. If the functions regard the Jacobian matrix as numerically singular then increasing towards may help, but at the cost of increased fill-in. The default value is .
- Is used as a relative pivot threshold during subsequent Jacobian decompositions (see ) below which an internal error is invoked. If is greater than no check is made on the pivot size, and this may be a necessary option if the Jacobian is found to be numerically singular (see ). The default value is .
-
25:
– double
Communication Array
-
If
,
rsave need not be set on entry.
If
,
rsave must be unchanged from the previous call to the function because it contains required information about the iteration.
-
26:
– Integer
Input
-
On entry: the dimension of the array
rsave.
Its size depends on the type of matrix algebra selected.
If , .
If , .
If , .
Where
is the lower or upper half bandwidths such that
- for PDE problems only (no coupled ODEs),
- for coupled PDE/ODE problems,
Where
is defined by
- if ,
- if ,
- if ,
Where
is defined by
- if the BDF method is used,
- if the Theta method is used,
Note: when
, the value of
lrsave may be too small when supplied to the integrator. An estimate of the minimum size of
lrsave is printed on the current error message unit if
and the function returns with
NE_INT_2.
-
27:
– Integer
Communication Array
-
If
,
isave need not be set on entry.
If
,
isave must be unchanged from the previous call to the function because it contains required information about the iteration required for subsequent calls. In particular:
- Contains the number of steps taken in time.
- Contains the number of residual evaluations of the resulting ODE system used. One such evaluation involves computing the PDE functions at all the mesh points, as well as one evaluation of the functions in the boundary conditions.
- Contains the number of Jacobian evaluations performed by the time integrator.
- Contains the order of the ODE method last used in the time integration.
- Contains the number of Newton iterations performed by the time integrator. Each iteration involves residual evaluation of the resulting ODE system followed by a back-substitution using the decomposition of the Jacobian matrix.
-
28:
– Integer
Input
-
On entry: the dimension of the array
isave. Its size depends on the type of matrix algebra selected:
- if , ;
- if , ;
- if , .
Note: when using the sparse option, the value of
lisave may be too small when supplied to the integrator. An estimate of the minimum size of
lisave is printed if
and the function returns with
NE_INT_2.
-
29:
– Integer
Input
-
On entry: specifies the task to be performed by the ODE integrator.
- Normal computation of output values u at .
- One step and return.
- Stop at first internal integration point at or beyond .
- Normal computation of output values u at but without overshooting where is described under the argument algopt.
- Take one step in the time direction and return, without passing , where is described under the argument algopt.
Constraint:
, , , or .
-
30:
– Integer
Input
-
On entry: the level of trace information required from
d03pjc and the underlying ODE solver.
itrace may take the value
,
,
,
or
.
- No output is generated.
- Only warning messages from the PDE solver are printed.
- Output from the underlying ODE solver is printed. This output contains details of Jacobian entries, the nonlinear iteration and the time integration during the computation of the ODE system.
If , is assumed and similarly if , is assumed.
The advisory messages are given in greater detail as
itrace increases.
-
31:
– const char *
Input
-
On entry: the name of a file to which diagnostic output will be directed. If
outfile is
NULL the diagnostic output will be directed to standard output.
-
32:
– Integer *
Input/Output
-
On entry: indicates whether this is a continuation call or a new integration.
- Starts or restarts the integration in time.
- Continues the integration after an earlier exit from the function. In this case, only the
argument tout
should be reset between calls to d03pjc.
Constraint:
or .
On exit: .
-
33:
– Nag_Comm *
-
The NAG communication argument (see
Section 3.1.1 in the Introduction to the NAG Library CL Interface).
-
34:
– Nag_D03_Save *
Communication Structure
-
saved must remain unchanged following a previous call to a
Chapter D03 function and prior to any subsequent call to a
Chapter D03 function.
-
35:
– NagError *
Input/Output
-
The NAG error argument (see
Section 7 in the Introduction to the NAG Library CL Interface).
6
Error Indicators and Warnings
- NE_ACC_IN_DOUBT
-
Integration completed, but small changes in
atol or
rtol are unlikely to result in a changed solution.
The required task has been completed, but it is estimated that a small change in
atol and
rtol is unlikely to produce any change in the computed solution. (Only applies when you are not operating in one step mode, that is when
or
.)
- NE_ALLOC_FAIL
-
Dynamic memory allocation failed.
See
Section 3.1.2 in the Introduction to the NAG Library CL Interface for further information.
- NE_BAD_PARAM
-
On entry, argument had an illegal value.
- NE_FAILED_DERIV
-
In setting up the ODE system an internal auxiliary was unable to initialize the derivative. This could be due to your setting
in
pdedef or
bndary.
- NE_FAILED_START
-
atol and
rtol were too small to start integration.
- NE_FAILED_STEP
-
Error during Jacobian formulation for ODE system. Increase
itrace for further details.
Repeated errors in an attempted step of underlying ODE solver. Integration was successful as far as
ts:
.
In the underlying ODE solver, there were repeated error test failures on an attempted step, before completing the requested task, but the integration was successful as far as . The problem may have a singularity, or the error requirement may be inappropriate.
Underlying ODE solver cannot make further progress from the point
ts with the supplied values of
atol and
rtol.
.
- NE_INCOMPAT_PARAM
-
On entry, and .
Constraint: or
- NE_INT
-
ires set to an invalid value in call to
pdedef,
bndary, or
odedef.
On entry, .
Constraint: or .
On entry, .
Constraint: , , , or .
On entry, .
Constraint: , , or .
On entry, .
Constraint: , or .
On entry, .
Constraint: .
On entry, .
Constraint: .
On entry, .
Constraint: .
On entry, .
Constraint: .
On entry, .
Constraint: .
On entry, on initial entry .
Constraint: on initial entry .
- NE_INT_2
-
On entry, and .
Constraint: corresponding elements and cannot both be .
On entry, .
Constraint: .
On entry, .
Constraint: .
On entry, and .
Constraint: when .
On entry, and .
Constraint: when .
When using the sparse option
lisave or
lrsave is too small:
,
.
- NE_INT_3
-
On entry, , and .
Constraint: .
- NE_INT_4
-
On entry, , , and .
Constraint: .
- NE_INTERNAL_ERROR
-
An internal error has occurred in this function. Check the function call and any array sizes. If the call is correct then please contact
NAG for assistance.
See
Section 7.5 in the Introduction to the NAG Library CL Interface for further information.
Serious error in internal call to an auxiliary. Increase
itrace for further details.
- NE_ITER_FAIL
-
In solving ODE system, the maximum number of steps has been exceeded. .
- NE_NO_LICENCE
-
Your licence key may have expired or may not have been installed correctly.
See
Section 8 in the Introduction to the NAG Library CL Interface for further information.
- NE_NOT_CLOSE_FILE
-
Cannot close file .
- NE_NOT_STRICTLY_INCREASING
-
On entry, ,
, and .
Constraint: .
On entry, , and .
Constraint: .
- NE_NOT_WRITE_FILE
-
Cannot open file for writing.
- NE_REAL
-
On entry, .
Constraint: , or .
- NE_REAL_2
-
On entry, at least one point in
xi lies outside
:
and
.
On entry, and .
Constraint: .
On entry, is too small:
and .
- NE_REAL_ARRAY
-
On entry, and .
Constraint: .
On entry, and .
Constraint: .
- NE_SING_JAC
-
Singular Jacobian of ODE system. Check problem formulation.
- NE_TIME_DERIV_DEP
-
Flux function appears to depend on time derivatives.
- NE_USER_STOP
-
In evaluating residual of ODE system,
has been set in
pdedef,
bndary, or
odedef. Integration is successful as far as
ts:
.
- NE_ZERO_WTS
-
Zero error weights encountered during time integration.
Some error weights
became zero during the time integration (see the description of
itol). Pure relative error control (
) was requested on a variable (the
th) which has become zero. The integration was successful as far as
.
7
Accuracy
d03pjc controls the accuracy of the integration in the time direction but not the accuracy of the approximation in space. The spatial accuracy depends on both the number of mesh points and on their distribution in space. In the time integration only the local error over a single step is controlled and so the accuracy over a number of steps cannot be guaranteed. You should therefore test the effect of varying the accuracy argument
atol and
rtol.
8
Parallelism and Performance
d03pjc is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library.
d03pjc makes calls to BLAS and/or LAPACK routines, which may be threaded within the vendor library used by this implementation. Consult the documentation for the vendor library for further information.
Please consult the
X06 Chapter Introduction for information on how to control and interrogate the OpenMP environment used within this function. Please also consult the
Users' Note for your implementation for any additional implementation-specific information.
The argument specification allows you to include equations with only first-order derivatives in the space direction but there is no guarantee that the method of integration will be satisfactory for such systems. The position and nature of the boundary conditions in particular are critical in defining a stable problem.
The time taken depends on the complexity of the parabolic system and on the accuracy requested.
10
Example
This example provides a simple coupled system of one PDE and one ODE.
for
.
The left boundary condition at
is
The right boundary condition at
is
The initial conditions at
are defined by the exact solution:
and the coupling point is at
.
10.1
Program Text
10.2
Program Data
None.
10.3
Program Results