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Chapter Contents
Chapter Introduction
NAG Toolbox

NAG Toolbox: nag_ode_ivp_stiff_exp_sparjac (d02nd)

 Contents

    1  Purpose
    2  Syntax
    7  Accuracy
    9  Example

Purpose

nag_ode_ivp_stiff_exp_sparjac (d02nd) is a forward communication function for integrating stiff systems of explicit ordinary differential equations when the Jacobian is a sparse matrix.

Syntax

[t, y, ydot, rwork, inform, ysav, wkjac, jacpvt, ifail] = d02nd(t, tout, y, rwork, rtol, atol, itol, inform, fcn, ysav, jac, wkjac, jacpvt, monitr, itask, itrace, 'neq', neq, 'sdysav', sdysav)
[t, y, ydot, rwork, inform, ysav, wkjac, jacpvt, ifail] = nag_ode_ivp_stiff_exp_sparjac(t, tout, y, rwork, rtol, atol, itol, inform, fcn, ysav, jac, wkjac, jacpvt, monitr, itask, itrace, 'neq', neq, 'sdysav', sdysav)
Note: the interface to this routine has changed since earlier releases of the toolbox:
At Mark 22: nwkjac and njcpvt were removed from the interface; neq was made optional

Description

nag_ode_ivp_stiff_exp_sparjac (d02nd) is a general purpose function for integrating the initial value problem for a stiff system of explicit ordinary differential equations,
y = gt,y .  
It is designed specifically for the case where the Jacobian g y  is a sparse matrix.
Both interval and step oriented modes of operation are available and also modes designed to permit intermediate output within an interval oriented mode.
An outline of a typical calling program for nag_ode_ivp_stiff_exp_sparjac (d02nd) is given below. It calls the sparse matrix linear algebra setup function nag_ode_ivp_stiff_sparjac_setup (d02nu), the Backward Differentiation Formula (BDF) integrator setup function nag_ode_ivp_stiff_bdf (d02nv), its diagnostic counterpart nag_ode_ivp_stiff_integ_diag (d02ny), and the sparse linear algebra diagnostic function nag_ode_ivp_stiff_sparjac_diag (d02nx).
.
.
.
[...] = d02nv(...);
[...] = d02nu(...);
[..., ifail] = d02nd(...);
if (ifail ~= 1 and ifail < 14) 
  [...] = d02nx(...);
  [...] = d02ny(...);
end
.
.
.
The linear algebra setup function nag_ode_ivp_stiff_sparjac_setup (d02nu) and one of the integrator setup functions, nag_ode_ivp_stiff_bdf (d02nv) or nag_ode_ivp_stiff_blend (d02nw), must be called prior to the call of nag_ode_ivp_stiff_exp_sparjac (d02nd). Either or both of the integrator diagnostic function nag_ode_ivp_stiff_integ_diag (d02ny), or the sparse matrix linear algebra diagnostic function nag_ode_ivp_stiff_sparjac_diag (d02nx), may be called after the call to nag_ode_ivp_stiff_exp_sparjac (d02nd). There is also a function, nag_ode_ivp_stiff_contin (d02nz), designed to permit you to change step size on a continuation call to nag_ode_ivp_stiff_exp_sparjac (d02nd) without restarting the integration process.

References

See the D02M–N Sub-chapter Introduction.

Parameters

Compulsory Input Parameters

1:     t – double scalar
t, the value of the independent variable. The input value of t is used only on the first call as the initial point of the integration.
2:     tout – double scalar
The next value of t at which a computed solution is desired. For the initial t, the input value of tout is used to determine the direction of integration. Integration is permitted in either direction (see also itask).
Constraint: toutt.
3:     yneq – double array
The values of the dependent variables (solution). On the first call the first neq elements of y must contain the vector of initial values.
4:     rwork50+4×neq – double array
5:     rtol: – double array
The dimension of the array rtol must be at least 1 if itol=1 or 2, and at least neq otherwise
The relative local error tolerance.
Constraint: rtoli0.0 for all relevant i (see itol).
6:     atol: – double array
The dimension of the array atol must be at least 1 if itol=1 or 3, and at least neq otherwise
The absolute local error tolerance.
Constraint: atoli0.0 for all relevant i (see itol).
7:     itol int64int32nag_int scalar
A value to indicate the form of the local error test. itol indicates to nag_ode_ivp_stiff_exp_sparjac (d02nd) whether to interpret either or both of rtol or atol as a vector or a scalar. The error test to be satisfied is ei/wi<1.0, where wi is defined as follows:
itol rtol atol wi
1 scalar scalar rtol1×yi+atol1
2 scalar vector rtol1×yi+atoli
3 vector scalar rtoli×yi+atol1
4 vector vector rtoli×yi+atoli
ei is an estimate of the local error in yi, computed internally, and the choice of norm to be used is defined by a previous call to an integrator setup function.
Constraint: itol=1, 2, 3 or 4.
8:     inform23 int64int32nag_int array
9:     fcn – function handle or string containing name of m-file
fcn must evaluate the derivative vector for the explicit ordinary differential equation system, defined by y=gt,y.
[f, ires] = fcn(neq, t, y, ires)

Input Parameters

1:     neq int64int32nag_int scalar
The number of differential equations being solved.
2:     t – double scalar
t, the current value of the independent variable.
3:     yneq – double array
The value of yi, for i=1,2,,neq.
4:     ires int64int32nag_int scalar
ires=1.

Output Parameters

1:     fneq – double array
The value yi, given by yi=git,y, for i=1,2,,neq.
2:     ires int64int32nag_int scalar
You may set ires as follows to indicate certain conditions in fcn to the integrator:
ires=1
Indicates a normal return from fcn, that is ires has not been altered by you and integration continues.
ires=2
Indicates to the integrator that control should be passed back immediately to the calling (sub)program with the error indicator set to ifail=11.
ires=3
Indicates to the integrator that an error condition has occurred in the solution vector, its time derivative or in the value of t. The integrator will use a smaller time step to try to avoid this condition. If this is not possible the integrator returns to the calling (sub)program with the error indicator set to ifail=7.
ires=4
Indicates to the integrator to stop its current operation and to enter monitr immediately with argument imon=-2.
10:   ysavldysavsdysav – double array
ldysav, the first dimension of the array, must satisfy the constraint ldysavneq.
An appropriate value for sdysav is described in the specification of the integrator setup functions nag_ode_ivp_stiff_bdf (d02nv) and nag_ode_ivp_stiff_blend (d02nw). This value must be the same as that supplied to the integrator setup function.
11:   jac – function handle or string containing name of m-file
jac must evaluate the Jacobian of the system. If this option is not required, the actual argument for jac must be the string nag_ode_ivp_stiff_exp_sparjac_dummy_jac (d02ndz). (nag_ode_ivp_stiff_exp_sparjac_dummy_jac (d02ndz) is included in the NAG Toolbox.) You must indicate to the integrator whether this option is to be used by setting the argument jceval appropriately in a call to the sparse linear algebra setup function nag_ode_ivp_stiff_sparjac_setup (d02nu).
First we must define the system of nonlinear equations which is solved internally by the integrator. The time derivative, y, generated internally, has the form
y = y-z / hd ,  
where h is the current step size and d is a argument that depends on the integration method in use. The vector y is the current solution and the vector z depends on information from previous time steps. This means that d dy ​ ​ = hd d dy ​ ​ . The system of nonlinear equations that is solved has the form
y - g t,y = 0  
but it is solved in the form
r t,y = 0 ,  
where r is the function defined by
r t,y =hd y-z / hd - g t,y .  
It is the Jacobian matrix r y  that you must supply in jac as follows:
ri yj =1-hd gi yj , if ​i=j, ri yj = -hd gi yj , otherwise.  
[pdj] = jac(neq, t, y, h, d, j, pdj)

Input Parameters

1:     neq int64int32nag_int scalar
The number of differential equations being solved.
2:     t – double scalar
t, the current value of the independent variable.
3:     yneq – double array
yi, for i=1,2,,neq, the current solution component.
4:     h – double scalar
The current step size.
5:     d – double scalar
The argument d which depends on the integration method.
6:     j int64int32nag_int scalar
The column of the Jacobian that jac must return in the array pdj.
7:     pdjneq – double array
Is set to zero.

Output Parameters

1:     pdjneq – double array
pdji should be set to the i,jth element of the Jacobian, where j is given by j. Only nonzero elements of this array need be set, since it is preset to zero before the call to jac.
12:   wkjacnwkjac – double array
The actual size depends on whether the sparsity structure is supplied or whether it is to be estimated. An appropriate value for nwkjac is described in the specification of the linear algebra setup function nag_ode_ivp_stiff_sparjac_setup (d02nu). This value must be the same as that supplied to nag_ode_ivp_stiff_sparjac_setup (d02nu).
13:   jacpvtnjcpvt int64int32nag_int array
The actual size depends on whether the sparsity structure is supplied or whether it is to be estimated. An appropriate value for njcpvt is described in the specification of the linear algebra setup function nag_ode_ivp_stiff_sparjac_setup (d02nu). This value must be the same as that supplied to nag_ode_ivp_stiff_sparjac_setup (d02nu).
14:   monitr – function handle or string containing name of m-file
monitr performs tasks requested by you. If this option is not required, then the actual argument for monitr must be the string nag_ode_ivp_stiff_exp_fulljac_dummy_monit (d02nby). (nag_ode_ivp_stiff_exp_fulljac_dummy_monit (d02nby) is included in the NAG Toolbox.)
[hnext, y, imon, inln, hmin, hmax] = monitr(neq, ldysav, t, hlast, hnext, y, ydot, ysav, r, acor, imon, hmin, hmax, nqu)

Input Parameters

1:     neq int64int32nag_int scalar
The number of differential equations being solved.
2:     ldysav int64int32nag_int scalar
An upper bound on the number of differential equations to be solved.
3:     t – double scalar
The current value of the independent variable.
4:     hlast – double scalar
The last step size successfully used by the integrator.
5:     hnext – double scalar
The step size that the integrator proposes to take on the next step.
6:     yneq – double array
y, the values of the dependent variables evaluated at t.
7:     ydotneq – double array
The time derivatives y of the vector y.
8:     ysavldysavsdysav – double array
Workspace to enable you to carry out interpolation using either of the functions nag_ode_ivp_stiff_nat_interp (d02xj) or nag_ode_ivp_stiff_c1_interp (d02xk).
9:     rneq – double array
If imon=0 and inln=3, the first neq elements contain the residual vector, y-gt,y.
10:   acorneq2 – double array
With imon=1, acori1 contains the weight used for the ith equation when the norm is evaluated, and acori2 contains the estimated local error for the ith equation. The scaled local error at the end of a timestep may be obtained by calling the double function nag_ode_ivp_stiff_errest (d02za) as follows:
 [errloc, ifail] = d02za(acor(1:neq,2), acor(1:neq,1));
 % Check ifail before proceeding 
11:   imon int64int32nag_int scalar
A flag indicating under what circumstances monitr was called:
imon=-2
Entry from the integrator after ires=4 (set in fcn) caused an early termination (this facility could be used to locate discontinuities).
imon=-1
The current step failed repeatedly.
imon=0
Entry after a call to the internal nonlinear equation solver (see inln).
imon=1
The current step was successful.
12:   hmin – double scalar
The minimum step size to be taken on the next step.
13:   hmax – double scalar
The maximum step size to be taken on the next step.
14:   nqu int64int32nag_int scalar
The order of the integrator used on the last step. This is supplied to enable you to carry out interpolation using either of the functions nag_ode_ivp_stiff_nat_interp (d02xj) or nag_ode_ivp_stiff_c1_interp (d02xk).

Output Parameters

1:     hnext – double scalar
The next step size to be used. If this is different from the input value, then imon must be set to 4.
2:     yneq – double array
These values must not be changed unless imon is set to 2.
3:     imon int64int32nag_int scalar
May be reset to determine subsequent action in nag_ode_ivp_stiff_exp_sparjac (d02nd).
imon=-2
Integration is to be halted. A return will be made from the integrator to the calling (sub)program with ifail=12.
imon=-1
Allow the integrator to continue with its own internal strategy. The integrator will try up to three restarts unless imon is set -1 on exit.
imon=0
Return to the internal nonlinear equation solver, where the action taken is determined by the value of inln (see inln).
imon=1
Normal exit to the integrator to continue integration.
imon=2
Restart the integration at the current time point. The integrator will restart from order 1 when this option is used. The solution y, provided by monitr, will be used for the initial conditions.
imon=3
Try to continue with the same step size and order as was to be used before the call to monitr. hmin and hmax may be altered if desired.
imon=4
Continue the integration but using a new value of hnext and possibly new values of hmin and hmax.
4:     inln int64int32nag_int scalar
The action to be taken by the internal nonlinear equation solver when monitr is exited with imon=0. By setting inln=3 and returning to the integrator, the residual vector is evaluated and placed in the array r, and then monitr is called again. At present this is the only option available: inln must not be set to any other value.
5:     hmin – double scalar
The minimum step size to be used. If this is different from the input value, then imon must be set to 3 or 4.
6:     hmax – double scalar
The maximum step size to be used. If this is different from the input value, then imon must be set to 3 or 4. If hmax is set to zero, no limit is assumed.
15:   itask int64int32nag_int scalar
The task to be performed by the integrator.
itask=1
Normal computation of output values of yt at t=tout (by overshooting and interpolating).
itask=2
Take one step only and return.
itask=3
Stop at the first internal integration point at or beyond t=tout and return.
itask=4
Normal computation of output values of yt at t=tout but without overshooting t=tcrit (e.g., see nag_ode_ivp_stiff_dassl (d02mv)). tcrit must be specified as an option in one of the integrator setup functions before the first call to the integrator, or specified in the optional input function before a continuation call. tcrit may be equal to or beyond tout, but not before it, in the direction of integration.
itask=5
Take one step only and return, without passing tcrit (e.g., see nag_ode_ivp_stiff_dassl (d02mv)). tcrit must be specified as under itask=4.
Constraint: itask=1, 2, 3, 4 or 5.
16:   itrace int64int32nag_int scalar
The level of output that is printed by the integrator. itrace may take the value -1, 0, 1, 2 or 3.
itrace<-1
-1 is assumed and similarly if itrace>3, then 3 is assumed.
itrace=-1
No output is generated.
itrace=0
Only warning messages are printed on the current error message unit (see nag_file_set_unit_error (x04aa)).
itrace>0
Warning messages are printed as above, and on the current advisory message unit (see nag_file_set_unit_advisory (x04ab)) output is generated which details Jacobian entries, the nonlinear iteration and the time integration. The advisory messages are given in greater detail the larger the value of itrace.

Optional Input Parameters

1:     neq int64int32nag_int scalar
Default: the dimension of the array y and the first dimension of the array ysav. (An error is raised if these dimensions are not equal.)
The number of differential equations to be solved.
Constraint: neq1.
2:     sdysav int64int32nag_int scalar
Default: the second dimension of the array ysav.
An appropriate value for sdysav is described in the specification of the integrator setup functions nag_ode_ivp_stiff_bdf (d02nv) and nag_ode_ivp_stiff_blend (d02nw). This value must be the same as that supplied to the integrator setup function.

Output Parameters

1:     t – double scalar
The value at which the computed solution y is returned (usually at tout).
2:     yneq – double array
The computed solution vector, evaluated at t (usually t=tout).
3:     ydotneq – double array
The time derivatives y of the vector y at the last integration point.
4:     rwork50+4×neq – double array
5:     inform23 int64int32nag_int array
6:     ysavldysavsdysav – double array
Communication array, used to store information between calls to nag_ode_ivp_stiff_exp_sparjac (d02nd).
7:     wkjacnwkjac – double array
Communication array, used to store information between calls to nag_ode_ivp_stiff_exp_sparjac (d02nd).
8:     jacpvtnjcpvt int64int32nag_int array
Communication array, used to store information between calls to nag_ode_ivp_stiff_exp_sparjac (d02nd).
9:     ifail int64int32nag_int scalar
ifail=0 unless the function detects an error (see Error Indicators and Warnings).

Error Indicators and Warnings

Errors or warnings detected by the function:

Cases prefixed with W are classified as warnings and do not generate an error of type NAG:error_n. See nag_issue_warnings.

   ifail=1
An illegal input was detected on entry, or after an internal call to monitr. If itrace>-1, then the form of the error will be detailed on the current error message unit (see nag_file_set_unit_error (x04aa)).
   ifail=2
The maximum number of steps specified has been taken (see the description of optional inputs in the integrator setup functions and the optional input continuation function, nag_ode_ivp_stiff_contin (d02nz)).
   ifail=3
With the given values of rtol and atol no further progress can be made across the integration range from the current point t. The components y1,y2,,yneq contain the computed values of the solution at the current point t.
W  ifail=4
There were repeated error test failures on an attempted step, before completing the requested task, but the integration was successful as far as t. The problem may have a singularity, or the local error requirements may be inappropriate.
W  ifail=5
There were repeated convergence test failures on an attempted step, before completing the requested task, but the integration was successful as far as t. This may be caused by an inaccurate Jacobian matrix or one which is incorrectly computed.
W  ifail=6
Some error weight wi became zero during the integration (see the description of itol). Pure relative error control (atoli=0.0) was requested on a variable (the ith) which has now vanished. The integration was successful as far as t.
   ifail=7
fcn set its error flag (ires=3) continually despite repeated attempts by the integrator to avoid this.
   ifail=8
Not used for the integrator.
   ifail=9
A singular Jacobian r y  has been encountered. This error exit is unlikely to be taken when solving explicit ordinary differential equations. You should check the problem formulation and Jacobian calculation.
   ifail=10
An error occurred during Jacobian formulation or back-substitution (a more detailed error description may be directed to the current error message unit, see nag_file_set_unit_error (x04aa)).
W  ifail=11
fcn signalled the integrator to halt the integration and return (ires=2). Integration was successful as far as t.
W  ifail=12
monitr set imon=-2 and so forced a return but the integration was successful as far as t.
W  ifail=13
The requested task has been completed, but it is estimated that a small change in rtol and atol is unlikely to produce any change in the computed solution. (Only applies when you are not operating in one step mode, that is when itask2 or 5.)
   ifail=14
The values of rtol and atol are so small that nag_ode_ivp_stiff_exp_sparjac (d02nd) is unable to start the integration.
   ifail=15
The linear algebra setup function nag_ode_ivp_stiff_sparjac_setup (d02nu) was not called prior to calling nag_ode_ivp_stiff_exp_sparjac (d02nd).
   ifail=-99
An unexpected error has been triggered by this routine. Please contact NAG.
   ifail=-399
Your licence key may have expired or may not have been installed correctly.
   ifail=-999
Dynamic memory allocation failed.

Accuracy

The accuracy of the numerical solution may be controlled by a careful choice of the arguments rtol and atol, and to a much lesser extent by the choice of norm. You are advised to use scalar error control unless the components of the solution are expected to be poorly scaled. For the type of decaying solution typical of many stiff problems, relative error control with a small absolute error threshold will be most appropriate (that is, you are advised to choose itol=1 with atol1 small but positive).

Further Comments

Since numerical stability and memory are often conflicting requirements when solving ordinary differential systems where the Jacobian matrix is sparse, we provide a diagnostic function, nag_ode_ivp_stiff_sparjac_diag (d02nx), whose aim is to inform you how much memory is required to solve the problem and to give you some indication of numerical stability.
In general, you are advised to choose the Backward Differentiation Formula option (setup function nag_ode_ivp_stiff_bdf (d02nv)) but if efficiency is of great importance and especially if it is suspected that g y  has complex eigenvalues near the imaginary axis for some part of the integration, you should try the BLEND option (setup function nag_ode_ivp_stiff_blend (d02nw)).

Example

This example solves the well-known stiff Robertson problem
a = -0.04a+1.0E4bc b = -0.04a-1.0E4bc -3.0E7b2 c = -3.0E7b2  
over the range 0,10.0 with initial conditions a=1.0 and b=c=0.0 using scalar error control (itol=1). The solution is computed up to 10.0 by overshooting and interpolating (itask=1) and the intermediate solution computed on an equispaced mesh through monitr. The integration algorithm used is the BDF method (setup function nag_ode_ivp_stiff_bdf (d02nv)) and a modified Newton method is also used. The use of the 'N' (Numerical) and 'S' (Structural) options are illustrated in turn for calculating the Jacobian.
function d02nd_example


fprintf('d02nd example results\n\n');

% For communication with monitr2.
global ncall ykeep tkeep tout

% For communication with interp.
global xout rwork

% Initialize setup variables and arrays.
neq    = int64(3);
neqmax = int64(neq);
maxord = int64(5);
sdysav = int64(maxord+1);
maxstp = int64(200);
mxhnil = int64(5);

h0    = 0;
hmax  = 10;
hmin  = 1.0e-10;
tcrit = 0;
petzld = false;

const  = zeros(6, 1);
rwork  = zeros(50+4*neqmax, 1);

% d02nv is a setup routine to be called prior to d02nd.
[const, rwork, ifail] = ...
d02nv( ...
       neqmax, sdysav, maxord, 'Newton', petzld, ...
       const, tcrit, hmin, hmax, h0, maxstp, mxhnil, 'Average-L2', rwork);

nelts = 8;
nia = int64(neq+1);
nja = int64(nelts);
ia  = int64([1; 3; 6; 9]);
ja  = int64([1; 2; 1; 2; 3; 1; 2; 3]);
njcpvt = int64(150);
nwkjac = int64(50);
eta    = 1.0e-4;
u      = 0.1;
sens   = 0.0;
lblock = true;
% d02nu is a setup routine for sparse Jacobian to be called prior to d02nd.
[jacpvt, rwork, ifail] = ...
d02nu( ...
       neq, neqmax, 'Numerical', nwkjac, ia, ja, ...
       njcpvt, sens, u, eta, lblock, rwork, 'nia', nia, 'nja', nja);

% Initialize integration variables and arrays.
inform(1:23) = int64(0);
wkjac = zeros(nwkjac, 1);
ysave = zeros(neq, sdysav);

% First case. 
% Integrate to tout by overshooting (itask=1) using using  BDF with Newton.
% Scalar relative and absolute tolerances.
% Numerical Jacobian.
t      = 0;
tout   = 10.0;
itask  = int64(1);
itrace = int64(0);
y      = [1; 0; 0];
itol   = int64(1);
rtol   = [1e-4];
atol   = [1e-7];
isplit = int64(0);

% Output initial condition.
fprintf('Numerical Jacobian, structure not supplied\n\n');
fprintf('    x           y_1            y_2            y_3\n');
fprintf('%8.3f      %8.5f      %8.5f      %8.5f\n',t,y);
xout = 2.0;

% Numerical Jacobian (d02ndz) with monitoring (monitr1).
[t, y, ydot, rwork, inform, ysave, wkjac, jacpvt,ifail] = ...
d02nd( ...
       t, tout, y, rwork, rtol, atol, itol, inform, @fcn, ysave, ...
       'd02ndz', wkjac, jacpvt, @monitr1, itask, itrace);

% d02ny is an integrator diagnostic routine which can be called after d02nd.
[hu, h, tcur, tolsf, nst, nre, nje, nqu, nq, niter, imxer, algequ, ifail] ...
= d02ny( ...
         neq, neqmax, rwork, inform);

% Output diagnostics.
fprintf('\nDiagnostic information\n integration status:\n');
fprintf('   last and next step sizes = %8.5f, %8.5f\n',hu, h);
fprintf('   integration stopped at x = %8.5f\n',tcur);
fprintf(' algorithm statistics:\n');
fprintf('   number of time-steps and Newton iterations  = %5d %5d\n',nst,niter);
fprintf('   number of residual and jacobian evaluations = %5d %5d\n',nre,nje);
fprintf('   order of method last used and next to use   = %5d %5d\n',nqu,nq);
fprintf('   component with largest error                = %5d\n',imxer);

% d02nx is an optional output routine which can be called after d02nd.
icall = int64(0);
[liwreq, liwusd, lrwreq, lrwusd, nlu, nz, ngp, isplit, igrow, nblock] ...
= d02nx( ...
         icall, lblock, inform);

% Output diagnostics.
fprintf(' sparse jacobian statistics:\n');
fprintf('   njcpvt - required = %3d, used = %3d\n',liwreq,liwusd);
fprintf('   nwkjac - required = %3d, used = %3d)\n',lrwreq,lrwusd);
fprintf('   No. of LU-decomps = %3d, No. of nonzeros = %3d\n',nlu,nz);
fprintf(['   No. of function calls to form Jacobian = %3d, try ', ...
    'isplit = %3d\n'], ngp, isplit);
fprintf([' Growth estimate = %d, No. of blocks on diagonal %3d\n\n'], ...
    igrow, nblock);

% Second case. 
% As first case but using known structure of Jacobian.
t      = 0;
y      = [1; 0; 0];
isplit = int64(0);

% Prepare to store results for plotting.  This gets done in monitr2.
ncall = int64(1);
tkeep = t;
ykeep = y;

[const, rwork, ifail] = d02nv( ...
                               neqmax, sdysav, maxord, 'Newton', petzld, ...
                               const, tcrit, hmin, hmax, h0, maxstp, ...
                               mxhnil, 'Average-L2', rwork);

[jacpvt, rwork, ifail] = d02nu( ...
                                neq, neqmax, 'Structural', nwkjac, ia, ja, ...
                                njcpvt, sens, u, eta, lblock, rwork, 'nia', ...
                                nia, 'nja', nja);

fprintf('Numerical Jacobian, structure supplied\n\n');
fprintf('    x           y_1            y_2            y_3\n');
fprintf('%8.3f      %8.5f      %8.5f      %8.5f\n',t,y);
xout = 2.0;

[t, y, ydot, rwork, inform, ysave, wkjac, jacpvt,ifail] = ...
d02nd( ...
       t, tout, y, rwork, rtol, atol, itol, inform, @fcn, ysave, ...
       'd02ndz', wkjac, jacpvt, @monitr2, itask, itrace);

[hu, h, tcur, tolsf, nst, nre, nje, nqu, nq, niter, imxer, algequ, ifail] ...
= d02ny( ...
         neq, neqmax, rwork, inform);

fprintf('\nDiagnostic information\n integration status:\n');
fprintf('   last and next step sizes = %8.5f, %8.5f\n',hu, h);
fprintf('   integration stopped at x = %8.5f\n',tcur);
fprintf(' algorithm statistics:\n');
fprintf('   number of time-steps and Newton iterations  = %5d %5d\n',nst,niter);
fprintf('   number of residual and jacobian evaluations = %5d %5d\n',nre,nje);
fprintf('   order of method last used and next to use   = %5d %5d\n',nqu,nq);
fprintf('   component with largest error                = %5d\n',imxer);

[liwreq, liwusd, lrwreq, lrwusd, nlu, nz, ngp, isplit, igrow, nblock] = ...
d02nx( ...
       icall, lblock, inform);

fprintf(' sparse jacobian statistics:\n');
fprintf('   njcpvt - required = %3d, used = %3d\n',liwreq,liwusd);
fprintf('   nwkjac - required = %3d, used = %3d\n',lrwreq,lrwusd);
fprintf('   No. of LU-decomps = %3d, No. of nonzeros = %3d\n',nlu,nz);
fprintf(['   No. of function calls to form Jacobian = %3d, try ', ...
    'isplit = %3d\n'], ngp, isplit);
fprintf([' Growth estimate = %d, No. of blocks on diagonal %3d\n\n'], ...
    igrow, nblock);
% Plot results.
fig1 = figure;
display_plot(tkeep,ykeep)


function [hnext, y, imon, inln, hmin, hmax] = ...
         monitr1(neq, neqmax, t, hlast, hnext, y, ydot, ysave, ...
                 r, acor, imon, hmin, hmax, nqu)
  % Print out solution at intermediate point if passed at this step.
  [imon] = interp(neq, t, hlast, hnext, ysave, imon, nqu);
  inln = int64(0);

function [hnext, y, imon, inln, hmin, hmax] = ...
         monitr2( neq, neqmax, t, hlast, hnext, y, ydot, ysave, ...
                  r, acor, imon, hmin, hmax, nqu)
  % Like monitr1 but also stores the current results for plotting later.
  % For communication with main routine.
  global ncall ykeep tkeep tout
  if (imon == 1 && t>0.00001 && t<tout)
    ncall = ncall + 1;
    ykeep(:,ncall) = y;
    tkeep (ncall) = t;
  end
  [imon] = interp(neq, t, hlast, hnext, ysave, imon, nqu);
  inln = int64(0);

function [imon] = interp(neq, t, hlast, hnext, ysave, imon, nqu)
  % This routine prints out intermediate values by interpolating.
  % For communication with main routine.
  global xout rwork
  dims = size(ysave);
  lbeg = dims(1) + 50 + 1;
  lend = lbeg + neq - 1;
  lw(1:neq) = rwork(lbeg:lend);
  % Print intermediate result if integration has passed it at this step.
  while (xout <= 10.0 && t-hlast < xout && xout <= t)
    % d02xk interpolates components of the solution of a system of ODEs,
    % as provided by (e.g.) d02nd.
    [sol, ifail] = d02xk(xout, neq, ysave, lw, t, nqu, hlast, hnext);
    fprintf('%8.3f %13.5f %13.5f %13.5f\n', xout, sol(1:3));
    xout = xout + 2;
  end

function [f, ires] = fcn(neq, t, y, ires)
  % Evaluate derivative vector.
  f = zeros(3,1);
  f(1) = -0.04d0*y(1) + 1.0d4*y(2)*y(3);
  f(2) = 0.04d0*y(1) - 1.0d4*y(2)*y(3) - 3.0d7*y(2)*y(2);
  f(3) = 3.0d7*y(2)*y(2);
 
function display_plot(tkeep,ykeep)
  % Plot one of the curves and then add the other two.
  hline3 = plot(tkeep,ykeep(3,:));
  hold on;
  [haxes, hline1, hline2] = plotyy(tkeep,ykeep(1,:), tkeep,ykeep(2,:));
  % Set the axis limits and the tick specifications to beautify the plot.
  set(haxes(1), 'YLim', [0 1.2]);
  set(haxes(1), 'XMinorTick', 'on', 'YMinorTick', 'on');
  set(haxes(1), 'YTick', [0:0.2:1]);
  set(haxes(2), 'YLim', [0 4e-5]);
  set(haxes(2), 'YMinorTick', 'on');
  set(haxes(2), 'YTick', [5e-6:5e-6:3.5e-5]);
  set(haxes(1), 'XLim', [-0.1 10]);
  set(haxes(2), 'XLim', [-0.1 10]);
  % Add title.
  ht = title({'Stiff Robertson Problem: BDF Method', ...
              'Jacobian: Sparse with Structure Supplied'});
  set(ht,'Position',[5,1.05,0.0]);
  % Label the x axis, and both y axes.
  xlabel('x');
  ylabel(haxes(1),'Solution (a,c)');
  ylabel(haxes(2),'Solution (b)');
  % Add a legend.
  legend('c','a','b','Location','West');
  % Set some features of the lines.
  set(hline1,'Linewidth',0.5,'Marker','+','LineStyle','-','Color','red');
  set(hline2,'Linewidth',0.5,'Marker','*','LineStyle',':','Color','blue');
  set(hline3,'Linewidth',0.5,'Marker','x','LineStyle','--','Color','green');
  hold off;
d02nd example results

Numerical Jacobian, structure not supplied

    x           y_1            y_2            y_3
   0.000       1.00000       0.00000       0.00000
   2.000       0.94161       0.00003       0.05836
   4.000       0.90552       0.00002       0.09446
   6.000       0.87927       0.00002       0.12072
   8.000       0.85855       0.00002       0.14144
  10.000       0.84137       0.00002       0.15863

Diagnostic information
 integration status:
   last and next step sizes =  0.90236,  0.90236
   integration stopped at x = 10.76936
 algorithm statistics:
   number of time-steps and Newton iterations  =    55    78
   number of residual and jacobian evaluations =   136    16
   order of method last used and next to use   =     4     4
   component with largest error                =     3
 sparse jacobian statistics:
   njcpvt - required = 100, used = 150
   nwkjac - required =  29, used =  50)
   No. of LU-decomps =  16, No. of nonzeros =   7
   No. of function calls to form Jacobian =   3, try isplit =  73
 Growth estimate = 1108, No. of blocks on diagonal   1

Numerical Jacobian, structure supplied

    x           y_1            y_2            y_3
   0.000       1.00000       0.00000       0.00000
   2.000       0.94161       0.00003       0.05837
   4.000       0.90551       0.00002       0.09446
   6.000       0.87926       0.00002       0.12072
   8.000       0.85854       0.00002       0.14144
  10.000       0.84135       0.00002       0.15863

Diagnostic information
 integration status:
   last and next step sizes =  0.90178,  0.90178
   integration stopped at x = 10.76621
 algorithm statistics:
   number of time-steps and Newton iterations  =    55    78
   number of residual and jacobian evaluations =   129    16
   order of method last used and next to use   =     4     4
   component with largest error                =     3
 sparse jacobian statistics:
   njcpvt - required = 106, used = 150
   nwkjac - required =  31, used =  50
   No. of LU-decomps =  16, No. of nonzeros =   8
   No. of function calls to form Jacobian =   3, try isplit =  73
 Growth estimate = 277504, No. of blocks on diagonal   1

d02nd_fig1.png

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