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deSolve (version 1.10-9)

lsoda: Solver for Ordinary Differential Equations (ODE), Switching Automatically Between Stiff and Non-stiff Methods

Description

Solving initial value problems for stiff or non-stiff systems of first-order ordinary differential equations (ODEs). The Rfunction lsoda provides an interface to the FORTRAN ODE solver of the same name, written by Linda R. Petzold and Alan C. Hindmarsh. The system of ODE's is written as an Rfunction (which may, of course, use .C, .Fortran, .Call, etc., to call foreign code) or be defined in compiled code that has been dynamically loaded. A vector of parameters is passed to the ODEs, so the solver may be used as part of a modeling package for ODEs, or for parameter estimation using any appropriate modeling tool for non-linear models in Rsuch as optim, nls, nlm or nlme lsoda differs from the other integrators (except lsodar) in that it switches automatically between stiff and nonstiff methods. This means that the user does not have to determine whether the problem is stiff or not, and the solver will automatically choose the appropriate method. It always starts with the nonstiff method.

Usage

lsoda(y, times, func, parms, rtol = 1e-6, atol = 1e-6,
  jacfunc = NULL, jactype = "fullint", rootfunc = NULL,
  verbose = FALSE, nroot = 0, tcrit = NULL,
  hmin = 0, hmax = NULL, hini = 0, ynames = TRUE,
  maxordn = 12, maxords = 5, bandup = NULL, banddown = NULL,
  maxsteps = 5000, dllname = NULL, initfunc = dllname,
  initpar = parms, rpar = NULL, ipar = NULL, nout = 0,
  outnames = NULL, forcings = NULL, initforc = NULL,
  fcontrol = NULL, events = NULL, lags = NULL,...)

Arguments

y
the initial (state) values for the ODE system. If y has a name attribute, the names will be used to label the output matrix.
times
times at which explicit estimates for y are desired. The first value in times must be the initial time.
func
either an R-function that computes the values of the derivatives in the ODE system (the model definition) at time t, or a character string giving the name of a compiled function in a dynamically loaded shared library.

If fu

parms
vector or list of parameters used in func or jacfunc.
rtol
relative error tolerance, either a scalar or an array as long as y. See details.
atol
absolute error tolerance, either a scalar or an array as long as y. See details.
jacfunc
if not NULL, an Rfunction, that computes the Jacobian of the system of differential equations $\partial\dot{y}_i/\partial y_j$, or a string giving the name of a function or subroutine in dllname that computes the
jactype
the structure of the Jacobian, one of "fullint", "fullusr", "bandusr" or "bandint" - either full or banded and estimated internally or by user.
rootfunc
if not NULL, an Rfunction that computes the function whose root has to be estimated or a string giving the name of a function or subroutine in dllname that computes the root function. The Rcalling sequence for
verbose
if TRUE: full output to the screen, e.g. will print the diagnostiscs of the integration - see details.
nroot
only used if dllname is specified: the number of constraint functions whose roots are desired during the integration; if rootfunc is an R-function, the solver estimates the number of roots.
tcrit
if not NULL, then lsoda cannot integrate past tcrit. The FORTRAN routine lsoda overshoots its targets (times points in the vector times), and interpolates values for the desired
hmin
an optional minimum value of the integration stepsize. In special situations this parameter may speed up computations with the cost of precision. Don't use hmin if you don't know why!
hmax
an optional maximum value of the integration stepsize. If not specified, hmax is set to the largest difference in times, to avoid that the simulation possibly ignores short-term events. If 0, no maximal size is specif
hini
initial step size to be attempted; if 0, the initial step size is determined by the solver.
ynames
logical, if FALSE: names of state variables are not passed to function func; this may speed up the simulation especially for large models.
maxordn
the maximum order to be allowed in case the method is non-stiff. Should be <= 12.="" reduce="" maxord to save storage space.
maxords
the maximum order to be allowed in case the method is stiff. Should be
bandup
number of non-zero bands above the diagonal, in case the Jacobian is banded.
banddown
number of non-zero bands below the diagonal, in case the Jacobian is banded.
maxsteps
maximal number of steps per output interval taken by the solver.
dllname
a string giving the name of the shared library (without extension) that contains all the compiled function or subroutine definitions refered to in func and jacfunc. See package vignette "compiledCode".
initfunc
if not NULL, the name of the initialisation function (which initialises values of parameters), as provided in dllname. See package vignette "compiledCode".
initpar
only when dllname is specified and an initialisation function initfunc is in the dll: the parameters passed to the initialiser, to initialise the common blocks (FORTRAN) or global variables (C, C++).
rpar
only when dllname is specified: a vector with double precision values passed to the dll-functions whose names are specified by func and jacfunc.
ipar
only when dllname is specified: a vector with integer values passed to the dll-functions whose names are specified by func and jacfunc.
nout
only used if dllname is specified and the model is defined in compiled code: the number of output variables calculated in the compiled function func, present in the shared library. Note: it is not automatically checke
outnames
only used if dllname is specified and nout > 0: the names of output variables calculated in the compiled function func, present in the shared library. These names will be used to label the output matrix.
forcings
only used if dllname is specified: a list with the forcing function data sets, each present as a two-columned matrix, with (time,value); interpolation outside the interval [min(times), max(times)] is done
initforc
if not NULL, the name of the forcing function initialisation function, as provided in dllname. It MUST be present if forcings has been given a value. See forcings
fcontrol
A list of control parameters for the forcing functions. See forcings or vignette compiledCode.
events
A list that specifies events, i.e. when the value of a state variable is suddenly changed. See events for more information.
lags
A list that specifies timelags, i.e. the number of steps that has to be kept. To be used for delay differential equations. See timelags, dede for more information.
...
additional arguments passed to func and jacfunc allowing this to be a generic function.

Value

  • A matrix of class deSolve with up to as many rows as elements in times and as many columns as elements in y plus the number of "global" values returned in the next elements of the return from func, plus and additional column for the time value. There will be a row for each element in times unless the FORTRAN routine `lsoda' returns with an unrecoverable error. If y has a names attribute, it will be used to label the columns of the output value.

Details

All the hard work is done by the FORTRAN subroutine lsoda, whose documentation should be consulted for details (it is included as comments in the source file src/opkdmain.f). The implementation is based on the 12 November 2003 version of lsoda, from Netlib.

lsoda switches automatically between stiff and nonstiff methods. This means that the user does not have to determine whether the problem is stiff or not, and the solver will automatically choose the appropriate method. It always starts with the nonstiff method. The form of the Jacobian can be specified by jactype which can take the following values: [object Object],[object Object],[object Object],[object Object] If jactype = "fullusr" or "bandusr" then the user must supply a subroutine jacfunc. The following description of error control is adapted from the documentation of the lsoda source code (input arguments rtol and atol, above): The input parameters rtol, and atol determine the error control performed by the solver. The solver will control the vector e of estimated local errors in y, according to an inequality of the form max-norm of ( e/ewt ) $\leq$ 1, where ewt is a vector of positive error weights. The values of rtol and atol should all be non-negative. The form of ewt is: $$\mathbf{rtol} \times \mathrm{abs}(\mathbf{y}) + \mathbf{atol}$$ where multiplication of two vectors is element-by-element.

If the request for precision exceeds the capabilities of the machine, the FORTRAN subroutine lsoda will return an error code; under some circumstances, the Rfunction lsoda will attempt a reasonable reduction of precision in order to get an answer. It will write a warning if it does so.

The diagnostics of the integration can be printed to screen by calling diagnostics. If verbose = TRUE, the diagnostics will written to the screen at the end of the integration.

See vignette("deSolve") for an explanation of each element in the vectors containing the diagnostic properties and how to directly access them.

Models may be defined in compiled C or FORTRAN code, as well as in an R-function. See package vignette "compiledCode" for details.

More information about models defined in compiled code is in the package vignette ("compiledCode"); information about linking forcing functions to compiled code is in forcings.

Examples in both C and FORTRAN are in the dynload subdirectory of the deSolve package directory.

References

Hindmarsh, Alan C. (1983) ODEPACK, A Systematized Collection of ODE Solvers; in p.55--64 of Stepleman, R.W. et al.[ed.] (1983) Scientific Computing, North-Holland, Amsterdam.

Petzold, Linda R. (1983) Automatic Selection of Methods for Solving Stiff and Nonstiff Systems of Ordinary Differential Equations. Siam J. Sci. Stat. Comput. 4, 136--148.

Netlib: http://www.netlib.org

See Also

diagnostics to print diagnostic messages.

Examples

Run this code
## =======================================================================
## Example 1:
##   A simple resource limited Lotka-Volterra-Model
##
## Note: 
## 1. parameter and state variable names made
##    accessible via "with" function
## 2. function sigimp accessible through lexical scoping
##    (see also ode and rk examples)
## =======================================================================

SPCmod <- function(t, x, parms) {
  with(as.list(c(parms, x)), {
    import <- sigimp(t)
    dS <- import - b*S*P + g*C     #substrate
    dP <- c*S*P  - d*C*P           #producer
    dC <- e*P*C  - f*C             #consumer
    res <- c(dS, dP, dC)
    list(res)
  })
}

## Parameters 
parms  <- c(b = 0.0, c = 0.1, d = 0.1, e = 0.1, f = 0.1, g = 0.0)

## vector of timesteps
times  <- seq(0, 100, length = 101)

## external signal with rectangle impulse
signal <- as.data.frame(list(times = times,
                            import = rep(0,length(times))))

signal$import[signal$times >= 10 & signal$times <= 11] <- 0.2

sigimp <- approxfun(signal$times, signal$import, rule = 2)


## Start values for steady state
y <- xstart <- c(S = 1, P = 1, C = 1)

## Solving
out <-  lsoda(xstart, times, SPCmod, parms) 

## Plotting
mf <- par("mfrow")
plot(out, main = c("substrate", "producer", "consumer"))
plot(out[,"P"], out[,"C"], type = "l", xlab = "producer", ylab = "consumer")
par(mfrow = mf)

## =======================================================================
## Example 2:
##  from lsoda source code
## =======================================================================

## names makes this easier to read, but may slow down execution.
parms   <- c(k1 = 0.04, k2 = 1e4, k3 = 3e7)
my.atol <- c(1e-6,  1e-10,  1e-6)
times   <- c(0,4 * 10^(-1:10))

lsexamp <- function(t, y, p) {
  yd1 <- -p["k1"] * y[1] + p["k2"] * y[2]*y[3]
  yd3 <- p["k3"] * y[2]^2
  list(c(yd1, -yd1-yd3, yd3), c(massbalance = sum(y)))
}

exampjac <- function(t, y, p) {
  matrix(c(-p["k1"],	   p["k1"],       0,

            p["k2"]*y[3],
          - p["k2"]*y[3] - 2*p["k3"]*y[2],
                           2*p["k3"]*y[2],

          p["k2"]*y[2],  -p["k2"]*y[2],  0
          ), 3, 3)
}
  

## measure speed (here and below)
system.time( 
  out <- lsoda(c(1, 0, 0), times, lsexamp, parms, rtol = 1e-4,
           atol = my.atol, hmax = Inf)
)  
out

## This is what the authors of lsoda got for the example:

## the output of this program (on a cdc-7600 in single precision)
## is as follows..
##
## at t =  4.0000e-01   y =  9.851712e-01  3.386380e-05  1.479493e-02
## at t =  4.0000e+00   y =  9.055333e-01  2.240655e-05  9.444430e-02
## at t =  4.0000e+01   y =  7.158403e-01  9.186334e-06  2.841505e-01
## at t =  4.0000e+02   y =  4.505250e-01  3.222964e-06  5.494717e-01
## at t =  4.0000e+03   y =  1.831975e-01  8.941774e-07  8.168016e-01
## at t =  4.0000e+04   y =  3.898730e-02  1.621940e-07  9.610125e-01
## at t =  4.0000e+05   y =  4.936363e-03  1.984221e-08  9.950636e-01
## at t =  4.0000e+06   y =  5.161831e-04  2.065786e-09  9.994838e-01
## at t =  4.0000e+07   y =  5.179817e-05  2.072032e-10  9.999482e-01
## at t =  4.0000e+08   y =  5.283401e-06  2.113371e-11  9.999947e-01
## at t =  4.0000e+09   y =  4.659031e-07  1.863613e-12  9.999995e-01
## at t =  4.0000e+10   y =  1.404280e-08  5.617126e-14  1.000000e+00

## Using the analytic Jacobian speeds up execution a little :

system.time( 
  outJ <- lsoda(c(1, 0, 0), times, lsexamp, parms, rtol = 1e-4,
            atol = my.atol, jacfunc = exampjac, jactype = "fullusr", hmax = Inf)
)
  
all.equal(as.data.frame(out), as.data.frame(outJ)) # TRUE
diagnostics(out)
diagnostics(outJ) # shows what lsoda did internally

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