d02pgc is a reverse communication one-step function for solving an initial value problem for a first-order system of ordinary differential equations using Runge–Kutta methods. The direct communication version of this function is d02pfc. See Section 7 in How to Use the NAG Library for the difference between forward and reverse communication.

2 Specification

#include <nag.h>

void	d02pgc (Integer irevcm, Integer n, double t, double y[], const double yp[], Integer iwsav[], double rwsav[], NagError *fail)

The function may be called by the names: d02pgc or nag_ode_ivp_rk_step_revcomm.

3 Description

d02pgc and its associated functions (d02phc, d02pjc, d02pqc, d02prc, d02ptc and d02puc) solve an initial value problem for a first-order system of ordinary differential equations. The functions, based on Runge–Kutta methods and derived from RKSUITE (see Brankin et al. (1991)), integrate

y^{'} = f (t, y) given y (t_{0}) = y_{0}

where

y

is the vector of

n

solution components and

t

is the independent variable.

d02pgc is designed to be used in complicated tasks when solving systems of ordinary differential equations. You must first call d02pqc to specify the problem and how it is to be solved. Thereafter you (repeatedly) call d02pgc in reverse communication loops to take one integration step at a time from tstart in the direction of tend (as specified in d02pqc). In this manner d02pgc returns an approximation to the solution y and its derivative yp at successive points t. If d02pgc encounters some difficulty in taking a step, the integration is not advanced and the function returns with the same values of t, y and yp as returned on the previous successful step. d02pgc tries to advance the integration as far as possible subject to passing the test on the local error and not going past tend.

In the call to d02pqc you can specify either the first step size for d02pgc to attempt or it computes automatically an appropriate value. Thereafter d02pgc estimates an appropriate step size for its next step. This value and other details of the integration can be obtained after a completed step by d02pgc by a call to d02ptc. The local error is controlled at every step as specified in d02pqc. If you wish to assess the true error, you must set

errass = Nag_ErrorAssess_on

in the call to d02pqc. This assessment can be obtained after any call to d02pgc by a call to d02puc.

If you want answers at specific points there are two ways to proceed:

(i)The more efficient way is to step past the point where a solution is desired, and then call d02phc and d02pjc to get an answer there. Within the span of the current step, you can get all the answers you want at very little cost by repeated calls to d02pjc. This is very valuable when you want to find where something happens, e.g., where a particular solution component vanishes.
(ii)Alternatively, set tend to the desired value and integrate to tend. d02pgc will not step past tend, so when a step would carry it past, it will reduce the step size so as to produce an answer at tend exactly. After getting an answer there ( $t = tend$ ), you can reset tend to the next point where you want an answer, and repeat. tend could be reset by a call to d02pqc, but you should not do this. You should use d02prc instead because it is both easier to use and much more efficient. This way of getting answers at specific points can be used with any of the available methods, but it can be inefficient. Should this be the case, the code will bring the matter to your attention.

4 References

Brankin R W, Gladwell I and Shampine L F (1991) RKSUITE: A suite of Runge–Kutta codes for the initial value problems for ODEs SoftReport 91-S1 Southern Methodist University

5 Arguments

Note: this function uses reverse communication. Its use involves an initial entry, intermediate exits and re-entries, and a final exit, as indicated by the argument irevcm. Between intermediate exits and re-entries, all arguments other than those specified by the value of irevcm must remain unchanged.

1: $irevcm$ – Integer * Input/Output

On initial entry: irevcm must be set to zero to indicate that a new step is being taken.

On intermediate re-entry: irevcm should remain unchanged.

On intermediate exit: irevcm returns a value

> 0

to indicate that a function evaluation is required prior to re-entry; the value of the derivatives

y^{'} = f (t, y)

must be returned in yp where the value of

t

is supplied in t and the values

y (t)

are supplied in the array y. The value of irevcm indicates the reason for the function evaluation as follows:

$irevcm = 1$: For initial entry values of t and y.
$irevcm = 2$: To determine stiffness of system.
$irevcm = 3$: For the stages of the primary step.
$irevcm = 4$: A final stage of the primary step.
$irevcm = 5$: For the stages of a secondary step (if global error assessment is required).

On final exit:

$irevcm = −1$: Successful exit; t, y and yp contain the solution at the end of a successful integration step.
$irevcm = −2$: Error exit; fail should be interrogated to determine the nature of the error.

Note: any values you return to d02pgc as part of the reverse communication procedure should not include floating-point NaN (Not a Number) or infinity values, since these are not handled by d02pgc. If your code inadvertently does return any NaNs or infinities, d02pgc is likely to produce unexpected results.

2: $n$ – Integer Input

On entry:

n

, the number of ordinary differential equations in the system to be solved.

Constraint:

n \geq 1

. This must be the same value as supplied in a previous call to d02pqc.

3: $t$ – double * Output

On intermediate exit: t contains the value of the independent variable

t

at which the derivatives

y^{'}

are to be evaluated.

On final exit: the value of

t

at which a solution has been computed following a successful step.

4: $y [n]$ – double Output

On intermediate exit: y contains the value of the solution

y

at which the derivatives

y^{'}

are to be evaluated.

On final exit: the approximation to the solution computed following a successful step.

5: $yp [n]$ – const double Input

On initial entry: yp need not be set.

On intermediate re-entry: yp must contain the value of the derivatives

y^{'} = f (t, y)

where

t

is supplied in t and

y

is supplied in the array y.

6: $iwsav [130]$ – Integer Communication Array

7: $rwsav [32 \times n + 350]$ – double Communication Array

On entry: these must be the same arrays supplied in a previous call to d02pqc. They must remain unchanged between calls.

On exit: information about the integration for use on subsequent calls to d02pgc or other associated functions.

8: $fail$ – 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_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: $irevcm < 0$ on entry.

On entry, argument $⟨ value ⟩$ had an illegal value.
NE_INT_CHANGED: On entry, $n = ⟨ value ⟩$ , but the value passed to the setup function was $n = ⟨ value ⟩$ .
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.
NE_MISSING_CALL: On entry, a previous call to the setup function has not been made or the communication arrays have become corrupted.
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_PREV_CALL: On entry, the communication arrays have become corrupted, or a catastrophic error has already been detected elsewhere. You cannot continue integrating the problem.
NE_PREV_CALL_INI: A call to this function cannot be made after it has returned an error.
The setup function must be called to start another problem.
NE_RK_GLOBAL_ERROR_S: The global error assessment algorithm failed at start of integration.
The integration is being terminated.
NE_RK_GLOBAL_ERROR_T: The global error assessment may not be reliable for times beyond $⟨ value ⟩$ .
The integration is being terminated.
NE_RK_POINTS: More than $100$ output points have been obtained by integrating to tend (as specified in the setup function). They have been so clustered that it would probably be (much) more efficient to use the interpolation function. However, you can continue integrating the problem.
NE_RK_STEP_TOO_SMALL: In order to satisfy your error requirements the solver has to use a step size of $⟨ value ⟩$ at the current time, $⟨ value ⟩$ . This step size is too small for the machine precision, and is smaller than $⟨ value ⟩$ .
NE_RK_TGOT_EQ_TEND: tend, as specified in the setup function, has already been reached. To start a new problem, you will need to call the setup function. To continue integration beyond tend then d02prc must first be called to reset tend to a new end value.
NE_STIFF_PROBLEM: Approximately $⟨ value ⟩$ function evaluations have been used to compute the solution since the integration started or since this message was last printed. Your problem has been diagnosed as stiff. If the situation persists, it will cost roughly $⟨ value ⟩$ times as much to reach tend (setup) as it has cost to reach the current time. You should probably call functions intended for stiff problems. However, you can continue integrating the problem.
NW_RK_TOO_MANY: Approximately $⟨ value ⟩$ function evaluations have been used to compute the solution since the integration started or since this message was last printed. However, you can continue integrating the problem.

7 Accuracy

The accuracy of integration is determined by the arguments tol and thresh in a prior call to d02pqc (see the function document for d02pqc for further details and advice). Note that only the local error at each step is controlled by these arguments. The error estimates obtained are not strict bounds but are usually reliable over one step. Over a number of steps the overall error may accumulate in various ways, depending on the properties of the differential system.

8 Parallelism and Performance

Background information to multithreading can be found in the Multithreading documentation.

d02pgc 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.

9 Further Comments

If d02pgc returns with

fail . code =

NE_RK_GLOBAL_ERROR_S, NE_RK_GLOBAL_ERROR_T, NE_RK_POINTS, NE_RK_STEP_TOO_SMALL, NE_STIFF_PROBLEM or NW_RK_TOO_MANY then the values returned in t and y are for the last successful step, or the initial conditions supplied if no successful step has been taken.

If d02pgc returns with

fail . code =

NE_RK_STEP_TOO_SMALL and the accuracy specified by tol and thresh is really required then you should consider whether there is a more fundamental difficulty. For example, the solution may contain a singularity. In such a region the solution components will usually be large in magnitude. Successive output values of y should be monitored with the aim of trapping the solution before the singularity. In any case, numerical integration cannot be continued through a singularity and analytical treatment may be necessary.

Performance statistics are available after any return from d02pgc (except when

fail . code =

NE_BAD_PARAM, NE_INT_CHANGED, NE_MISSING_CALL, NE_PREV_CALL, NE_PREV_CALL_INI or NE_RK_TGOT_EQ_TEND) by a call to d02ptc. If

errass = Nag_ErrorAssess_on

in the call to d02pqc, global error assessment is available after any return from d02pgc (except when

fail . code =

NE_BAD_PARAM, NE_INT_CHANGED, NE_MISSING_CALL, NE_PREV_CALL, NE_PREV_CALL_INI or NE_RK_TGOT_EQ_TEND) by a call to d02puc.

After a failure with

fail . code =

NE_RK_GLOBAL_ERROR_S, NE_RK_GLOBAL_ERROR_T or NE_RK_STEP_TOO_SMALL each of the diagnostic functions d02ptc and d02puc may be called only once.

If d02pgc returns with

fail . code =

NE_STIFF_PROBLEM then it is advisable to change to another code more suited to the solution of stiff problems. d02pgc will not return with

fail . code =

NE_STIFF_PROBLEM if the problem is actually stiff but it is estimated that integration can be completed using less function evaluations than already computed.

10 Example

This example solves the equation

y^{''} = - y, y (0) = 0, y^{'} (0) = 1

reposed as

y_{1}^{'} = y_{2}

y_{2}^{'} = - y_{1}

over the range

[0, 2 π]

with initial conditions

y_{1} = 0.0

and

y_{2} = 1.0

. We use relative error control with threshold values of

1.0e−8

for each solution component and print the solution at regular intervals using the interpolation functions d02phc and d02pjc within integration steps across the range; points on the range at which

y_{1}

y_{2}

change sign are also evaluated using a combination of the root finding function c05azc and the interpolation functions. We use a medium order Runge–Kutta method (

method = Nag_RK_4_5

) with tolerance

tol = 1.0e−5

d02pg: FL CL CPP AD PY MB

NAG CL Interfaced02pgc (ivp_​rk_​step_​revcomm)

▸▿ Contents

1 Purpose

2 Specification

3 Description

4 References

5 Arguments

6 Error Indicators and Warnings

7 Accuracy

8 Parallelism and Performance

9 Further Comments

10 Example

10.1 Program Text

10.2 Program Data

10.3 Program Results

NAG CL Interface
d02pgc (ivp_rk_step_revcomm)