NAG Library Routine Document
d03pdf
(dim1_parab_coll_old)
d03pda (dim1_parab_coll)
1
Purpose
d03pdf/d03pda integrates a system of linear or nonlinear parabolic partial differential equations (PDEs) in one space variable. The spatial discretization is performed using a Chebyshev ${C}^{0}$ collocation method, and the method of lines is employed to reduce the PDEs to a system of ordinary differential equations (ODEs). The resulting system is solved using a backward differentiation formula method.
d03pda is a version of
d03pdf that has additional arguments in order to make it safe for use in multithreaded applications (see
Section 5).
2
Specification
2.1
Specification for d03pdf
Fortran Interface
Subroutine d03pdf ( 
npde, m, ts, tout, pdedef, bndary, u, nbkpts, xbkpts, npoly, npts, x, uinit, acc, rsave, lrsave, isave, lisave, itask, itrace, ind, ifail) 
Integer, Intent (In)  ::  npde, m, nbkpts, npoly, npts, lrsave, lisave, itask, itrace  Integer, Intent (Inout)  ::  isave(lisave), ind, ifail  Real (Kind=nag_wp), Intent (In)  ::  tout, xbkpts(nbkpts), acc  Real (Kind=nag_wp), Intent (Inout)  ::  ts, u(npde,npts), rsave(lrsave)  Real (Kind=nag_wp), Intent (Out)  ::  x(npts)  External  ::  pdedef, bndary, uinit 

C Header Interface
#include nagmk26.h
void 
d03pdf_ (const Integer *npde, const Integer *m, double *ts, const double *tout, void (NAG_CALL *pdedef)(const Integer *npde, const double *t, const double x[], const Integer *nptl, const double u[], const double ux[], double p[], double q[], double r[], Integer *ires), void (NAG_CALL *bndary)(const Integer *npde, const double *t, const double u[], const double ux[], const Integer *ibnd, double beta[], double gamma[], Integer *ires), double u[], const Integer *nbkpts, const double xbkpts[], const Integer *npoly, const Integer *npts, double x[], void (NAG_CALL *uinit)(const Integer *npde, const Integer *npts, const double x[], double u[]), const double *acc, double rsave[], const Integer *lrsave, Integer isave[], const Integer *lisave, const Integer *itask, const Integer *itrace, Integer *ind, Integer *ifail) 

2.2
Specification for d03pda
Fortran Interface
Subroutine d03pda ( 
npde, m, ts, tout, pdedef, bndary, u, nbkpts, xbkpts, npoly, npts, x, uinit, acc, rsave, lrsave, isave, lisave, itask, itrace, ind, iuser, ruser, cwsav, lwsav, iwsav, rwsav, ifail) 
Integer, Intent (In)  ::  npde, m, nbkpts, npoly, npts, lrsave, lisave, itask, itrace  Integer, Intent (Inout)  ::  isave(lisave), ind, iuser(*), iwsav(505), ifail  Real (Kind=nag_wp), Intent (In)  ::  tout, xbkpts(nbkpts), acc  Real (Kind=nag_wp), Intent (Inout)  ::  ts, u(npde,npts), rsave(lrsave), ruser(*), rwsav(1100)  Real (Kind=nag_wp), Intent (Out)  ::  x(npts)  Logical, Intent (Inout)  ::  lwsav(100)  Character (80), Intent (Inout)  ::  cwsav(10)  External  ::  pdedef, bndary, uinit 

C Header Interface
#include nagmk26.h
void 
d03pda_ (const Integer *npde, const Integer *m, double *ts, const double *tout, void (NAG_CALL *pdedef)(const Integer *npde, const double *t, const double x[], const Integer *nptl, const double u[], const double ux[], double p[], double q[], double r[], Integer *ires, Integer iuser[], double ruser[]), void (NAG_CALL *bndary)(const Integer *npde, const double *t, const double u[], const double ux[], const Integer *ibnd, double beta[], double gamma[], Integer *ires, Integer iuser[], double ruser[]), double u[], const Integer *nbkpts, const double xbkpts[], const Integer *npoly, const Integer *npts, double x[], void (NAG_CALL *uinit)(const Integer *npde, const Integer *npts, const double x[], double u[], Integer iuser[], double ruser[]), const double *acc, double rsave[], const Integer *lrsave, Integer isave[], const Integer *lisave, const Integer *itask, const Integer *itrace, Integer *ind, Integer iuser[], double ruser[], char cwsav[], logical lwsav[], Integer iwsav[], double rwsav[], Integer *ifail, const Charlen length_cwsav) 

3
Description
d03pdf/d03pda integrates the system of parabolic equations:
where
${P}_{i,j}$,
${Q}_{i}$ and
${R}_{i}$ depend on
$x$,
$t$,
$U$,
${U}_{x}$ and the vector
$U$ is the set of solution values
and the vector
${U}_{x}$ is its partial derivative with respect to
$x$. Note that
${P}_{i,j}$,
${Q}_{i}$ and
${R}_{i}$ must not depend on
$\frac{\partial U}{\partial t}$.
The integration in time is from ${t}_{0}$ to ${t}_{\mathrm{out}}$, over the space interval $a\le x\le b$, where $a={x}_{1}$ and $b={x}_{{\mathbf{nbkpts}}}$ are the leftmost and rightmost of a userdefined set of breakpoints ${x}_{1},{x}_{2},\dots ,{x}_{{\mathbf{nbkpts}}}$. The coordinate system in space is defined by the value of $m$; $m=0$ for Cartesian coordinates, $m=1$ for cylindrical polar coordinates and $m=2$ for spherical polar coordinates.
The system is defined by the functions
${P}_{i,j}$,
${Q}_{i}$ and
${R}_{i}$ which must be specified in
pdedef.
The initial values of the functions
$U\left(x,t\right)$ must be given at
$t={t}_{0}$, and must be specified in
uinit.
The functions
${R}_{i}$, for
$\mathit{i}=1,2,\dots ,{\mathbf{npde}}$, which may be thought of as fluxes, are also used in the definition of the boundary conditions for each equation. The boundary conditions must have the form
where
$x=a$ or
$x=b$.
The boundary conditions must be specified in
bndary. Thus, the problem is subject to the following restrictions:
(i) 
${t}_{0}<{t}_{\mathrm{out}}$, so that integration is in the forward direction; 
(ii) 
${P}_{i,j}$, ${Q}_{i}$ and the flux ${R}_{i}$ must not depend on any time derivatives; 
(iii) 
the evaluation of the functions ${P}_{i,j}$, ${Q}_{i}$ and ${R}_{i}$ is done at both the breakpoints and internally selected points for each element in turn, that is ${P}_{i,j}$, ${Q}_{i}$ and ${R}_{i}$ are evaluated twice at each breakpoint. Any discontinuities in these functions must therefore be at one or more of the breakpoints ${x}_{1},{x}_{2},\dots ,{x}_{{\mathbf{nbkpts}}}$; 
(iv) 
at least one of the functions ${P}_{i,j}$ must be nonzero so that there is a time derivative present in the problem; 
(v) 
if $m>0$ and ${x}_{1}=0.0$, which is the left boundary point, then it must be ensured that the PDE solution is bounded at this point. This can be done by either specifying the solution at $x=0.0$ or by specifying a zero flux there, that is ${\beta}_{i}=1.0$ and ${\gamma}_{i}=0.0$. See also Section 9. 
The parabolic equations are approximated by a system of ODEs in time for the values of
${U}_{i}$ at the mesh points. This ODE system is obtained by approximating the PDE solution between each pair of breakpoints by a Chebyshev polynomial of degree
npoly. The interval between each pair of breakpoints is treated by
d03pdf/d03pda as an element, and on this element, a polynomial and its space and time derivatives are made to satisfy the system of PDEs at
${\mathbf{npoly}}1$ spatial points, which are chosen internally by the code and the breakpoints. In the case of just one element, the breakpoints are the boundaries. The userdefined breakpoints 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 breakpoints and the method is similar to an ordinary finite element method.
In total there are $\left({\mathbf{nbkpts}}1\right)\times {\mathbf{npoly}}+1$ mesh points in the spatial direction, and ${\mathbf{npde}}\times \left(\left({\mathbf{nbkpts}}1\right)\times {\mathbf{npoly}}+1\right)$ ODEs in the time direction; one ODE at each breakpoint for each PDE component and (${\mathbf{npoly}}1$) ODEs for each PDE component between each pair of breakpoints. The system is then integrated forwards in time using a backward differentiation formula 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 ellipticparabolic systems of PDEs ACM Trans. Math. Software 17 178–206
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: $\mathbf{npde}$ – IntegerInput

On entry: the number of PDEs in the system to be solved.
Constraint:
${\mathbf{npde}}\ge 1$.
 2: $\mathbf{m}$ – IntegerInput

On entry: the coordinate system used:
 ${\mathbf{m}}=0$
 Indicates Cartesian coordinates.
 ${\mathbf{m}}=1$
 Indicates cylindrical polar coordinates.
 ${\mathbf{m}}=2$
 Indicates spherical polar coordinates.
Constraint:
${\mathbf{m}}=0$, $1$ or $2$.
 3: $\mathbf{ts}$ – Real (Kind=nag_wp)Input/Output

On entry: the initial value of the independent variable $t$.
On exit: the value of
$t$ corresponding to the solution values in
u. Normally
${\mathbf{ts}}={\mathbf{tout}}$.
Constraint:
${\mathbf{ts}}<{\mathbf{tout}}$.
 4: $\mathbf{tout}$ – Real (Kind=nag_wp)Input

On entry: the final value of $t$ to which the integration is to be carried out.
 5: $\mathbf{pdedef}$ – Subroutine, supplied by the user.External Procedure

pdedef must compute the values of the functions
${P}_{i,j}$,
${Q}_{i}$ and
${R}_{i}$ which define the system of PDEs. The functions may depend on
$x$,
$t$,
$U$ and
${U}_{x}$ and must be evaluated at a set of points.
The specification of
pdedef
for
d03pdf is:
Fortran Interface
Integer, Intent (In)  ::  npde, nptl  Integer, Intent (Inout)  ::  ires  Real (Kind=nag_wp), Intent (In)  ::  t, x(nptl), u(npde,nptl), ux(npde,nptl)  Real (Kind=nag_wp), Intent (Out)  ::  p(npde,npde,nptl), q(npde,nptl), r(npde,nptl) 

C Header Interface
#include nagmk26.h
void 
pdedef (const Integer *npde, const double *t, const double x[], const Integer *nptl, const double u[], const double ux[], double p[], double q[], double r[], Integer *ires) 

The specification of
pdedef
for
d03pda is:
Fortran Interface
Subroutine pdedef ( 
npde, t, x, nptl, u, ux, p, q, r, ires, iuser, ruser) 
Integer, Intent (In)  ::  npde, nptl  Integer, Intent (Inout)  ::  ires, iuser(*)  Real (Kind=nag_wp), Intent (In)  ::  t, x(nptl), u(npde,nptl), ux(npde,nptl)  Real (Kind=nag_wp), Intent (Inout)  ::  ruser(*)  Real (Kind=nag_wp), Intent (Out)  ::  p(npde,npde,nptl), q(npde,nptl), r(npde,nptl) 

C Header Interface
#include nagmk26.h
void 
pdedef (const Integer *npde, const double *t, const double x[], const Integer *nptl, const double u[], const double ux[], double p[], double q[], double r[], Integer *ires, Integer iuser[], double ruser[]) 

 1: $\mathbf{npde}$ – IntegerInput

On entry: the number of PDEs in the system.
 2: $\mathbf{t}$ – Real (Kind=nag_wp)Input

On entry: the current value of the independent variable $t$.
 3: $\mathbf{x}\left({\mathbf{nptl}}\right)$ – Real (Kind=nag_wp) arrayInput

On entry: contains a set of mesh points at which ${P}_{i,j}$, ${Q}_{i}$ and ${R}_{i}$ are to be evaluated. ${\mathbf{x}}\left(1\right)$ and ${\mathbf{x}}\left({\mathbf{nptl}}\right)$ contain successive usersupplied breakpoints and the elements of the array will satisfy ${\mathbf{x}}\left(1\right)<{\mathbf{x}}\left(2\right)<\cdots <{\mathbf{x}}\left({\mathbf{nptl}}\right)$.
 4: $\mathbf{nptl}$ – IntegerInput

On entry: the number of points at which evaluations are required (the value of ${\mathbf{npoly}}+1$).
 5: $\mathbf{u}\left({\mathbf{npde}},{\mathbf{nptl}}\right)$ – Real (Kind=nag_wp) arrayInput

On entry: ${\mathbf{u}}\left(\mathit{i},\mathit{j}\right)$ contains the value of the component ${U}_{\mathit{i}}\left(x,t\right)$ where $x={\mathbf{x}}\left(\mathit{j}\right)$, for $\mathit{i}=1,2,\dots ,{\mathbf{npde}}$ and $\mathit{j}=1,2,\dots ,{\mathbf{nptl}}$.
 6: $\mathbf{ux}\left({\mathbf{npde}},{\mathbf{nptl}}\right)$ – Real (Kind=nag_wp) arrayInput

On entry: ${\mathbf{ux}}\left(\mathit{i},\mathit{j}\right)$ contains the value of the component $\frac{\partial {U}_{\mathit{i}}\left(x,t\right)}{\partial x}$ where $x={\mathbf{x}}\left(\mathit{j}\right)$, for $\mathit{i}=1,2,\dots ,{\mathbf{npde}}$ and $\mathit{j}=1,2,\dots ,{\mathbf{nptl}}$.
 7: $\mathbf{p}\left({\mathbf{npde}},{\mathbf{npde}},{\mathbf{nptl}}\right)$ – Real (Kind=nag_wp) arrayOutput

On exit: ${\mathbf{p}}\left(\mathit{i},\mathit{j},\mathit{k}\right)$ must be set to the value of ${P}_{\mathit{i},\mathit{j}}\left(x,t,U,{U}_{x}\right)$ where $x={\mathbf{x}}\left(\mathit{k}\right)$, for $\mathit{i}=1,2,\dots ,{\mathbf{npde}}$, $\mathit{j}=1,2,\dots ,{\mathbf{npde}}$ and $\mathit{k}=1,2,\dots ,{\mathbf{nptl}}$.
 8: $\mathbf{q}\left({\mathbf{npde}},{\mathbf{nptl}}\right)$ – Real (Kind=nag_wp) arrayOutput

On exit: ${\mathbf{q}}\left(\mathit{i},\mathit{j}\right)$ must be set to the value of ${Q}_{\mathit{i}}\left(x,t,U,{U}_{x}\right)$ where $x={\mathbf{x}}\left(\mathit{j}\right)$, for $\mathit{i}=1,2,\dots ,{\mathbf{npde}}$ and $\mathit{j}=1,2,\dots ,{\mathbf{nptl}}$.
 9: $\mathbf{r}\left({\mathbf{npde}},{\mathbf{nptl}}\right)$ – Real (Kind=nag_wp) arrayOutput

On exit: ${\mathbf{r}}\left(\mathit{i},\mathit{j}\right)$ must be set to the value of ${R}_{\mathit{i}}\left(x,t,U,{U}_{x}\right)$ where $x={\mathbf{x}}\left(\mathit{j}\right)$, for $\mathit{i}=1,2,\dots ,{\mathbf{npde}}$ and $\mathit{j}=1,2,\dots ,{\mathbf{nptl}}$.
 10: $\mathbf{ires}$ – IntegerInput/Output

On entry: set to $1\text{ or}1$.
On exit: should usually remain unchanged. However, you may set
ires to force the integration routine to take certain actions as described below:
 ${\mathbf{ires}}=2$
 Indicates to the integrator that control should be passed back immediately to the calling (sub)routine with the error indicator set to ${\mathbf{ifail}}={\mathbf{6}}$.
 ${\mathbf{ires}}=3$
 Indicates to the integrator that the current time step should be abandoned and a smaller time step used instead. You may wish to set ${\mathbf{ires}}=3$ when a physically meaningless input or output value has been generated. If you consecutively set ${\mathbf{ires}}=3$, d03pdf/d03pda returns to the calling subroutine with the error indicator set to ${\mathbf{ifail}}={\mathbf{4}}$.
 Note: the following are additional arguments for specific use with d03pda. Users of d03pdf therefore need not read the remainder of this description.
 11: $\mathbf{iuser}\left(*\right)$ – Integer arrayUser Workspace
 12: $\mathbf{ruser}\left(*\right)$ – Real (Kind=nag_wp) arrayUser Workspace

pdedef is called with the arguments
iuser and
ruser as supplied to
d03pdf/d03pda. You should use the arrays
iuser and
ruser to supply information to
pdedef.
pdedef must either be a module subprogram USEd by, or declared as EXTERNAL in, the (sub)program from which
d03pdf/d03pda is called. Arguments denoted as
Input must
not be changed by this procedure.
Note: pdedef should not return floatingpoint NaN (Not a Number) or infinity values, since these are not handled by
d03pdf/d03pda. If your code inadvertently
does return any NaNs or infinities,
d03pdf/d03pda is likely to produce unexpected results.
 6: $\mathbf{bndary}$ – Subroutine, supplied by the user.External Procedure

bndary must compute the functions
${\beta}_{i}$ and
${\gamma}_{i}$ which define the boundary conditions as in equation
(3).
The specification of
bndary
for
d03pdf is:
Fortran Interface
Integer, Intent (In)  ::  npde, ibnd  Integer, Intent (Inout)  ::  ires  Real (Kind=nag_wp), Intent (In)  ::  t, u(npde), ux(npde)  Real (Kind=nag_wp), Intent (Out)  ::  beta(npde), gamma(npde) 

C Header Interface
#include nagmk26.h
void 
bndary (const Integer *npde, const double *t, const double u[], const double ux[], const Integer *ibnd, double beta[], double gamma[], Integer *ires) 

The specification of
bndary
for
d03pda is:
Fortran Interface
Integer, Intent (In)  ::  npde, ibnd  Integer, Intent (Inout)  ::  ires, iuser(*)  Real (Kind=nag_wp), Intent (In)  ::  t, u(npde), ux(npde)  Real (Kind=nag_wp), Intent (Inout)  ::  ruser(*)  Real (Kind=nag_wp), Intent (Out)  ::  beta(npde), gamma(npde) 

C Header Interface
#include nagmk26.h
void 
bndary (const Integer *npde, const double *t, const double u[], const double ux[], const Integer *ibnd, double beta[], double gamma[], Integer *ires, Integer iuser[], double ruser[]) 

 1: $\mathbf{npde}$ – IntegerInput

On entry: the number of PDEs in the system.
 2: $\mathbf{t}$ – Real (Kind=nag_wp)Input

On entry: the current value of the independent variable $t$.
 3: $\mathbf{u}\left({\mathbf{npde}}\right)$ – Real (Kind=nag_wp) arrayInput

On entry:
${\mathbf{u}}\left(\mathit{i}\right)$ contains the value of the component
${U}_{\mathit{i}}\left(x,t\right)$ at the boundary specified by
ibnd, for
$\mathit{i}=1,2,\dots ,{\mathbf{npde}}$.
 4: $\mathbf{ux}\left({\mathbf{npde}}\right)$ – Real (Kind=nag_wp) arrayInput

On entry:
${\mathbf{ux}}\left(\mathit{i}\right)$ contains the value of the component
$\frac{\partial {U}_{\mathit{i}}\left(x,t\right)}{\partial x}$ at the boundary specified by
ibnd, for
$\mathit{i}=1,2,\dots ,{\mathbf{npde}}$.
 5: $\mathbf{ibnd}$ – IntegerInput

On entry: specifies which boundary conditions are to be evaluated.
 ${\mathbf{ibnd}}=0$
 bndary must set up the coefficients of the lefthand boundary, $x=a$.
 ${\mathbf{ibnd}}\ne 0$
 bndary must set up the coefficients of the righthand boundary, $x=b$.
 6: $\mathbf{beta}\left({\mathbf{npde}}\right)$ – Real (Kind=nag_wp) arrayOutput

On exit:
${\mathbf{beta}}\left(\mathit{i}\right)$ must be set to the value of
${\beta}_{\mathit{i}}\left(x,t\right)$ at the boundary specified by
ibnd, for
$\mathit{i}=1,2,\dots ,{\mathbf{npde}}$.
 7: $\mathbf{gamma}\left({\mathbf{npde}}\right)$ – Real (Kind=nag_wp) arrayOutput

On exit:
${\mathbf{gamma}}\left(\mathit{i}\right)$ must be set to the value of
${\gamma}_{\mathit{i}}\left(x,t,U,{U}_{x}\right)$ at the boundary specified by
ibnd, for
$\mathit{i}=1,2,\dots ,{\mathbf{npde}}$.
 8: $\mathbf{ires}$ – IntegerInput/Output

On entry: set to $1\text{ or}1$.
On exit: should usually remain unchanged. However, you may set
ires to force the integration routine to take certain actions as described below:
 ${\mathbf{ires}}=2$
 Indicates to the integrator that control should be passed back immediately to the calling (sub)routine with the error indicator set to ${\mathbf{ifail}}={\mathbf{6}}$.
 ${\mathbf{ires}}=3$
 Indicates to the integrator that the current time step should be abandoned and a smaller time step used instead. You may wish to set ${\mathbf{ires}}=3$ when a physically meaningless input or output value has been generated. If you consecutively set ${\mathbf{ires}}=3$, d03pdf/d03pda returns to the calling subroutine with the error indicator set to ${\mathbf{ifail}}={\mathbf{4}}$.
 Note: the following are additional arguments for specific use with d03pda. Users of d03pdf therefore need not read the remainder of this description.
 9: $\mathbf{iuser}\left(*\right)$ – Integer arrayUser Workspace
 10: $\mathbf{ruser}\left(*\right)$ – Real (Kind=nag_wp) arrayUser Workspace

bndary is called with the arguments
iuser and
ruser as supplied to
d03pdf/d03pda. You should use the arrays
iuser and
ruser to supply information to
bndary.
bndary must either be a module subprogram USEd by, or declared as EXTERNAL in, the (sub)program from which
d03pdf/d03pda is called. Arguments denoted as
Input must
not be changed by this procedure.
Note: bndary should not return floatingpoint NaN (Not a Number) or infinity values, since these are not handled by
d03pdf/d03pda. If your code inadvertently
does return any NaNs or infinities,
d03pdf/d03pda is likely to produce unexpected results.
 7: $\mathbf{u}\left({\mathbf{npde}},{\mathbf{npts}}\right)$ – Real (Kind=nag_wp) arrayInput/Output

On entry: if
${\mathbf{ind}}=1$ the value of
u must be unchanged from the previous call.
On exit: ${\mathbf{u}}\left(i,j\right)$ will contain the computed solution at $t={\mathbf{ts}}$.
 8: $\mathbf{nbkpts}$ – IntegerInput

On entry: the number of breakpoints in the interval $\left[a,b\right]$.
Constraint:
${\mathbf{nbkpts}}\ge 2$.
 9: $\mathbf{xbkpts}\left({\mathbf{nbkpts}}\right)$ – Real (Kind=nag_wp) arrayInput

On entry: the values of the breakpoints in the space direction. ${\mathbf{xbkpts}}\left(1\right)$ must specify the lefthand boundary, $a$, and ${\mathbf{xbkpts}}\left({\mathbf{nbkpts}}\right)$ must specify the righthand boundary, $b$.
Constraint:
${\mathbf{xbkpts}}\left(1\right)<{\mathbf{xbkpts}}\left(2\right)<\cdots <{\mathbf{xbkpts}}\left({\mathbf{nbkpts}}\right)$.
 10: $\mathbf{npoly}$ – IntegerInput

On entry: the degree of the Chebyshev polynomial to be used in approximating the PDE solution between each pair of breakpoints.
Constraint:
$1\le {\mathbf{npoly}}\le 49$.
 11: $\mathbf{npts}$ – IntegerInput

On entry: the number of mesh points in the interval $\left[a,b\right]$.
Constraint:
${\mathbf{npts}}=\left({\mathbf{nbkpts}}1\right)\times {\mathbf{npoly}}+1$.
 12: $\mathbf{x}\left({\mathbf{npts}}\right)$ – Real (Kind=nag_wp) arrayOutput

On exit: the mesh points chosen by
d03pdf/d03pda in the spatial direction. The values of
x will satisfy
${\mathbf{x}}\left(1\right)<{\mathbf{x}}\left(2\right)<\cdots <{\mathbf{x}}\left({\mathbf{npts}}\right)$.
 13: $\mathbf{uinit}$ – Subroutine, supplied by the user.External Procedure

uinit must compute the initial values of the PDE components
${U}_{\mathit{i}}\left({x}_{\mathit{j}},{t}_{0}\right)$, for
$\mathit{i}=1,2,\dots ,{\mathbf{npde}}$ and
$\mathit{j}=1,2,\dots ,{\mathbf{npts}}$.
The specification of
uinit
for
d03pdf is:
Fortran Interface
Integer, Intent (In)  ::  npde, npts  Real (Kind=nag_wp), Intent (In)  ::  x(npts)  Real (Kind=nag_wp), Intent (Out)  ::  u(npde,npts) 

C Header Interface
#include nagmk26.h
void 
uinit (const Integer *npde, const Integer *npts, const double x[], double u[]) 

The specification of
uinit
for
d03pda is:
Fortran Interface
Integer, Intent (In)  ::  npde, npts  Integer, Intent (Inout)  ::  iuser(*)  Real (Kind=nag_wp), Intent (In)  ::  x(npts)  Real (Kind=nag_wp), Intent (Inout)  ::  ruser(*)  Real (Kind=nag_wp), Intent (Out)  ::  u(npde,npts) 

C Header Interface
#include nagmk26.h
void 
uinit (const Integer *npde, const Integer *npts, const double x[], double u[], Integer iuser[], double ruser[]) 

 1: $\mathbf{npde}$ – IntegerInput

On entry: the number of PDEs in the system.
 2: $\mathbf{npts}$ – IntegerInput

On entry: the number of mesh points in the interval $\left[a,b\right]$.
 3: $\mathbf{x}\left({\mathbf{npts}}\right)$ – Real (Kind=nag_wp) arrayInput

On entry: ${\mathbf{x}}\left(\mathit{j}\right)$, contains the values of the $\mathit{j}$th mesh point, for $\mathit{j}=1,2,\dots ,{\mathbf{npts}}$.
 4: $\mathbf{u}\left({\mathbf{npde}},{\mathbf{npts}}\right)$ – Real (Kind=nag_wp) arrayOutput

On exit: ${\mathbf{u}}\left(\mathit{i},\mathit{j}\right)$ must be set to the initial value ${U}_{\mathit{i}}\left({x}_{\mathit{j}},{t}_{0}\right)$, for $\mathit{i}=1,2,\dots ,{\mathbf{npde}}$ and $\mathit{j}=1,2,\dots ,{\mathbf{npts}}$.
 Note: the following are additional arguments for specific use with d03pda. Users of d03pdf therefore need not read the remainder of this description.
 5: $\mathbf{iuser}\left(*\right)$ – Integer arrayUser Workspace
 6: $\mathbf{ruser}\left(*\right)$ – Real (Kind=nag_wp) arrayUser Workspace

uinit is called with the arguments
iuser and
ruser as supplied to
d03pdf/d03pda. You should use the arrays
iuser and
ruser to supply information to
uinit.
uinit must either be a module subprogram USEd by, or declared as EXTERNAL in, the (sub)program from which
d03pdf/d03pda is called. Arguments denoted as
Input must
not be changed by this procedure.
Note: uinit should not return floatingpoint NaN (Not a Number) or infinity values, since these are not handled by
d03pdf/d03pda. If your code inadvertently
does return any NaNs or infinities,
d03pdf/d03pda is likely to produce unexpected results.
 14: $\mathbf{acc}$ – Real (Kind=nag_wp)Input

On entry: a positive quantity for controlling the local error estimate in the time integration. If
$E\left(i,j\right)$ is the estimated error for
${U}_{i}$ at the
$j$th mesh point, the error test is:
Constraint:
${\mathbf{acc}}>0.0$.
 15: $\mathbf{rsave}\left({\mathbf{lrsave}}\right)$ – Real (Kind=nag_wp) arrayCommunication Array

If
${\mathbf{ind}}=0$,
rsave need not be set on entry.
If
${\mathbf{ind}}=1$,
rsave must be unchanged from the previous call to the routine because it contains required information about the iteration.
 16: $\mathbf{lrsave}$ – IntegerInput

On entry: the dimension of the array
rsave as declared in the (sub)program from which
d03pdf/d03pda is called.
Constraint:
${\mathbf{lrsave}}\ge 11\times {\mathbf{npde}}\times {\mathbf{npts}}+50+\mathit{nwkres}+\mathit{lenode}$.
 17: $\mathbf{isave}\left({\mathbf{lisave}}\right)$ – Integer arrayCommunication Array

If
${\mathbf{ind}}=0$,
isave need not be set on entry.
If
${\mathbf{ind}}=1$,
isave must be unchanged from the previous call to the routine because it contains required information about the iteration. In particular:
 ${\mathbf{isave}}\left(1\right)$
 Contains the number of steps taken in time.
 ${\mathbf{isave}}\left(2\right)$
 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.
 ${\mathbf{isave}}\left(3\right)$
 Contains the number of Jacobian evaluations performed by the time integrator.
 ${\mathbf{isave}}\left(4\right)$
 Contains the order of the last backward differentiation formula method used.
 ${\mathbf{isave}}\left(5\right)$
 Contains the number of Newton iterations performed by the time integrator. Each iteration involves an ODE residual evaluation followed by a backsubstitution using the $LU$ decomposition of the Jacobian matrix.
 18: $\mathbf{lisave}$ – IntegerInput

On entry: the dimension of the array
isave as declared in the (sub)program from which
d03pdf/d03pda is called.
Constraint:
${\mathbf{lisave}}\ge {\mathbf{npde}}\times {\mathbf{npts}}+24$.
 19: $\mathbf{itask}$ – IntegerInput

On entry: specifies the task to be performed by the ODE integrator.
 ${\mathbf{itask}}=1$
 Normal computation of output values u at $t={\mathbf{tout}}$.
 ${\mathbf{itask}}=2$
 One step and return.
 ${\mathbf{itask}}=3$
 Stop at first internal integration point at or beyond $t={\mathbf{tout}}$.
Constraint:
${\mathbf{itask}}=1$, $2$ or $3$.
 20: $\mathbf{itrace}$ – IntegerInput

On entry: the level of trace information required from
d03pdf/d03pda and the underlying ODE solver.
itrace may take the value
$1$,
$0$,
$1$,
$2$ or
$3$.
 ${\mathbf{itrace}}=1$
 No output is generated.
 ${\mathbf{itrace}}=0$
 Only warning messages from the PDE solver are printed on the current error message unit (see x04aaf).
 ${\mathbf{itrace}}>0$
 Output from the underlying ODE solver is printed on the current advisory message unit (see x04abf). This output contains details of Jacobian entries, the nonlinear iteration and the time integration during the computation of the ODE system.
If ${\mathbf{itrace}}<1$, $1$ is assumed and similarly if ${\mathbf{itrace}}>3$, $3$ is assumed.
The advisory messages are given in greater detail as
itrace increases. You are advised to set
${\mathbf{itrace}}=0$, unless you are experienced with
Subchapter D02M–N.
 21: $\mathbf{ind}$ – IntegerInput/Output

On entry: indicates whether this is a continuation call or a new integration.
 ${\mathbf{ind}}=0$
 Starts or restarts the integration in time.
 ${\mathbf{ind}}=1$
 Continues the integration after an earlier exit from the routine. In this case, only the arguments tout and ifail should be reset between calls to d03pdf/d03pda.
Constraint:
${\mathbf{ind}}=0$ or $1$.
On exit: ${\mathbf{ind}}=1$.
 22: $\mathbf{ifail}$ – IntegerInput/Output

Note: for d03pda, ifail does not occur in this position in the argument list. See the additional arguments described below.
On entry:
ifail must be set to
$0$,
$1\text{ or}1$. If you are unfamiliar with this argument you should refer to
Section 3.4 in How to Use the NAG Library and its Documentation for details.
For environments where it might be inappropriate to halt program execution when an error is detected, the value
$1\text{ or}1$ is recommended. If the output of error messages is undesirable, then the value
$1$ is recommended. Otherwise, if you are not familiar with this argument, the recommended value is
$0$.
When the value $\mathbf{1}\text{ or}\mathbf{1}$ is used it is essential to test the value of ifail on exit.
On exit:
${\mathbf{ifail}}={\mathbf{0}}$ unless the routine detects an error or a warning has been flagged (see
Section 6).
 Note: the following are additional arguments for specific use with d03pda. Users of d03pdf therefore need not read the remainder of this description.
 22: $\mathbf{iuser}\left(*\right)$ – Integer arrayUser Workspace

iuser is not used by
d03pdf/d03pda, but is passed directly to
pdedef,
bndary and
uinit and may be used to pass information to these routines.
 23: $\mathbf{ruser}\left(*\right)$ – Real (Kind=nag_wp) arrayUser Workspace
 24: $\mathbf{cwsav}\left(10\right)$ – Character(80) arrayCommunication Array

 25: $\mathbf{lwsav}\left(100\right)$ – Logical arrayCommunication Array

 26: $\mathbf{iwsav}\left(505\right)$ – Integer arrayCommunication Array

 27: $\mathbf{rwsav}\left(1100\right)$ – Real (Kind=nag_wp) arrayCommunication Array

 28: $\mathbf{ifail}$ – IntegerInput/Output

Note: see the argument description for
ifail above.
6
Error Indicators and Warnings
If on entry
${\mathbf{ifail}}=0$ or
$1$, explanatory error messages are output on the current error message unit (as defined by
x04aaf).
Errors or warnings detected by the routine:
 ${\mathbf{ifail}}=1$

On entry,  ${\mathbf{tout}}\le {\mathbf{ts}}$, 
or  ${\mathbf{tout}}{\mathbf{ts}}$ is too small, 
or  ${\mathbf{itask}}\ne 1$, $2$ or $3$, 
or  ${\mathbf{m}}\ne 0$, $1$ or $2$, 
or  ${\mathbf{m}}>0$ and ${\mathbf{xbkpts}}\left(1\right)<0.0$, 
or  ${\mathbf{npde}}<1$, 
or  ${\mathbf{nbkpts}}<2$, 
or  ${\mathbf{npoly}}<1$ or ${\mathbf{npoly}}>49$, 
or  ${\mathbf{npts}}\ne \left({\mathbf{nbkpts}}1\right)\times {\mathbf{npoly}}+1$, 
or  ${\mathbf{acc}}\le 0.0$, 
or  ${\mathbf{ind}}\ne 0$ or $1$, 
or  breakpoints ${\mathbf{xbkpts}}\left(i\right)$ are not ordered, 
or  lrsave is too small, 
or  lisave is too small. 
 ${\mathbf{ifail}}=2$

The underlying ODE solver cannot make any further progress across the integration range from the current point
$t={\mathbf{ts}}$ with the supplied value of
acc. The components of
u contain the computed values at the current point
$t={\mathbf{ts}}$.
 ${\mathbf{ifail}}=3$

In the underlying ODE solver, there were repeated errors or corrector convergence test failures on an attempted step, before completing the requested task. The problem may have a singularity or
acc is too small for the integration to continue. Integration was successful as far as
$t={\mathbf{ts}}$.
 ${\mathbf{ifail}}=4$

In setting up the ODE system, the internal initialization routine was unable to initialize the derivative of the ODE system. This could be due to the fact that
ires was repeatedly set to
$3$ in at least
pdedef or
bndary, when the residual in the underlying ODE solver was being evaluated.
 ${\mathbf{ifail}}=5$

In solving the ODE system, a singular Jacobian has been encountered. You should check your problem formulation.
 ${\mathbf{ifail}}=6$

When evaluating the residual in solving the ODE system,
ires was set to
$2$ in at least
pdedef or
bndary. Integration was successful as far as
$t={\mathbf{ts}}$.
 ${\mathbf{ifail}}=7$

The value of
acc is so small that the routine is unable to start the integration in time.
 ${\mathbf{ifail}}=8$

In one of
pdedef or
bndary,
ires was set to an invalid value.
 ${\mathbf{ifail}}=9$ (d02nnf)

A serious error has occurred in an internal call to the specified routine. Check the problem specification and all arguments and array dimensions. Setting
${\mathbf{itrace}}=1$ may provide more information. If the problem persists, contact
NAG.
 ${\mathbf{ifail}}=10$

The required task has been completed, but it is estimated that a small change in
acc is unlikely to produce any change in the computed solution. (Only applies when you are not operating in one step mode, that is when
${\mathbf{itask}}\ne 2$.)
 ${\mathbf{ifail}}=11$

An error occurred during Jacobian formulation of the ODE system (a more detailed error description may be directed to the current error message unit).
 ${\mathbf{ifail}}=12$

Not applicable.
 ${\mathbf{ifail}}=13$

Not applicable.
 ${\mathbf{ifail}}=14$

The flux function ${R}_{i}$ was detected as depending on time derivatives, which is not permissible.
 ${\mathbf{ifail}}=99$
An unexpected error has been triggered by this routine. Please
contact
NAG.
See
Section 3.9 in How to Use the NAG Library and its Documentation for further information.
 ${\mathbf{ifail}}=399$
Your licence key may have expired or may not have been installed correctly.
See
Section 3.8 in How to Use the NAG Library and its Documentation for further information.
 ${\mathbf{ifail}}=999$
Dynamic memory allocation failed.
See
Section 3.7 in How to Use the NAG Library and its Documentation for further information.
7
Accuracy
d03pdf/d03pda controls the accuracy of the integration in the time direction but not the accuracy of the approximation in space. The spatial accuracy depends on the degree of the polynomial approximation
npoly, and on both the number of breakpoints 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,
acc.
8
Parallelism and Performance
d03pdf/d03pda is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library.
d03pdf/d03pda 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 routine. Please also consult the
Users' Note for your implementation for any additional implementationspecific information.
d03pdf/d03pda is designed to solve parabolic systems (possibly including elliptic equations) with secondorder derivatives in space. The argument specification allows you to include equations with only firstorder 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
The problem consists of a fourthorder PDE which can be written as a pair of secondorder ellipticparabolic PDEs for
${U}_{1}\left(x,t\right)$ and
${U}_{2}\left(x,t\right)$,
where
$1\le x\le 1$ and
$t\ge 0$. The boundary conditions are given by
The initial conditions at
$t=0$ are given by
The absence of boundary conditions for
${U}_{2}\left(x,t\right)$ does not pose any difficulties provided that the derivative flux boundary conditions are assigned to the first PDE
(4) which has the correct flux,
$\frac{\partial {U}_{1}}{\partial x}$. The conditions on
${U}_{1}\left(x,t\right)$ at the boundaries are assigned to the second PDE by setting
${\beta}_{2}=0.0$ in equation
(3) and placing the Dirichlet boundary conditions on
${U}_{1}\left(x,t\right)$ in the function
${\gamma}_{2}$.
10.1
Program Text
Note: the following programs illustrate the use of d03pdf and d03pda.
Program Text (d03pdfe.f90)
Program Text (d03pdae.f90)
10.2
Program Data
Program Data (d03pdfe.d)
Program Data (d03pdae.d)
10.3
Program Results
Program Results (d03pdfe.r)
Program Results (d03pdae.r)