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deTestSet (version 1.0)

bimd: Blended Implicit Method for DAE

Description

Solves the initial value problem for stiff or nonstiff systems of either:
  • a system of ordinary differential equations (ODE) of the form$$y' = f(t,y,...)$$or
  • a system of linearly implicit DAES in the form$$M y' = f(t,y)$$
The Rfunction bimd provides an interface to the Fortran DAE solver bimd, written by Cecilia Magherini and Luigi Bugnano. It implements a Blended Implicit Methods of order 4-6-8-10-12 with step size control and continuous output. The system of DAE's is written as an Rfunction or can be defined in compiled code that has been dynamically loaded.

Usage

bimd(y, times, func, parms, nind = c(length(y), 0, 0),
  rtol = 1e-6, atol = 1e-6, jacfunc = NULL, jactype = "fullint",
  mass = NULL, massup = NULL, massdown = NULL, verbose = FALSE,
  hmax = NULL, hini = 0, ynames = TRUE, minord = NULL, 
  maxord = NULL, bandup = NULL, banddown = NULL, 
  maxsteps = 1e4, maxnewtit = c(10, 12, 14, 16, 18), wrkpars = NULL, 
  dllname = NULL, initfunc = dllname, initpar = parms, 
  rpar = NULL, ipar = NULL, nout=0, outnames = NULL, forcings = NULL,
  initforc = NULL, fcontrol = NULL, ...)

Arguments

y
the initial (state) values for the DAE or ODE system. If y has a name attribute, the names will be used to label the output matrix.
times
time sequence for which output is wanted; the first value of times must be the initial time; if only one step is to be taken; set times = NULL.
func
either an R-function that computes the values of the derivatives in the DAE or 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
parms
vector or list of parameters used in func or jacfunc.
nind
if a DAE system: a three-valued vector with the number of variables of index 1, 2, 3 respectively. The equations must be defined such that the index 1 variables precede the index 2 variables which in turn precede the index 3 variables. The
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 dydot(i)/dy(j), or a string giving the name of a function or subroutine in dllname that computes the Jacobian (see vignette
jactype
the structure of the Jacobian, one of "fullint", "fullusr", "bandusr" or "bandint" - either full or banded and estimated internally or by user.
mass
the mass matrix. If not NULL, the problem is a linearly implicit DAE and defined as $M\, dy/dt = f(t,y)$. If the mass-matrix $M$ is full, it should be of dimension $n^2$ where $n$ is the number of $y$-values; if band
massup
number of non-zero bands above the diagonal of the mass matrix, in case it is banded.
massdown
number of non-zero bands below the diagonal of the mass matrix, in case it is banded.
verbose
if TRUE: full output to the screen, e.g. will print the diagnostiscs of the integration - see details.
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 set equal to 1e-6. Usually 1e-3 to 1e-5 is good for stiff equations
ynames
logical, if FALSE names of state variables are not passed to function func; this may speed up the simulation especially for multi-D models.
minord
the minimum order to be allowed, >= 3 and <= 9.="" NULL uses the default, 3.
maxord
the maximum order to be allowed, >= minord and <= 9.="" NULL uses the default, 9.
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 taken by the solver, for the entire integration. This is different from the settings of this argument in the solvers from package deSolve!
maxnewtit
A five-valued integer vector, with the maximal number of splitting-Newton iterations for the solution of the iplicit system in each step for order 4, 6, 8, 10 and 12 respectively. The default is c(10, 12, 14, 16, 18)
wrkpars
A 12-valued real vector, with extra input parameters, put in the work vector work, at position work[3:14] in the fortran code - see details in fortran code. NULL uses the defaults
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 vignette "compiledCode" from pa
initfunc
if not NULL, the name of the initialisation function (which initialises values of parameters), as provided in dllname. See vignette "compiledCode" from package deSolve.
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 forcin
fcontrol
A list of control parameters for the forcing functions. See forcings or vignette compiledCode.
...
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 `bimd' returns with an unrecoverable error. If y has a names attribute, it will be used to label the columns of the output value.

Details

The work is done by the FORTRAN 77 subroutine bimd, whose documentation should be consulted for details. There are four standard choices for the jacobian which can be specified with jactype.

The options for jactype are [object Object],[object Object],[object Object],[object Object]

Inspection of the example below shows how to specify both a banded and full Jacobian. The input parameters rtol, and atol determine the error control performed by the solver, which roughly keeps the local error of y(i) below rtol(i)*abs(y(i))+atol(i). 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") from the deSolve package 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" from package deSolve for details.

Information about linking forcing functions to compiled code is in forcings (from package deSolve).

References

L.BRUGNANO, C.MAGHERINI, F.MUGNAI. Blended Implicit Methods for the Numerical Solution of DAE problems. Jour. CAM 189 (2006) 34-50.

L.BRUGNANO, C.MAGHERINI The BiM code for the numerical solution of ODEs Jour. CAM 164-165 (2004) 145-158.

L.BRUGNANO, C.MAGHERINI Some Linear Algebra issues concerning the implementation of Blended Implicit Methods Numer. Linear Alg. Appl. 12 (2005) 305-314.

L.BRUGNANO, C.MAGHERINI Economical Error Estimates for Block Implicit Methods for ODEs via Deferred Correction. Appl. Numer. Math. 56 (2006) 608-617.

L.BRUGNANO, C.MAGHERINI Blended Implementation of Block Implicit Methods for ODEs Appl. Numer. Math. 42 (2002) 29-45.

See Also

  • gamdanother DAE solver from packagedeTestSet,
  • mebdfianother DAE solver from packagedeTestSet,
  • daspkanother DAE solver from packagedeSolve,
  • odefor a general interface to most of the ODE solvers from packagedeSolve,
  • ode.1Dfor integrating 1-D models,
  • ode.2Dfor integrating 2-D models,
  • ode.3Dfor integrating 3-D models,
  • mebdfifor integrating DAE models,
  • dopri853for the Dormand-Prince Runge-Kutta method of order 8(53)

diagnostics to print diagnostic messages.

Examples

Run this code
## =======================================================================
## Example 1:
##   Various ways to solve the same model.
## =======================================================================

## the model, 5 state variables
f1 <- function  (t, y, parms)
{
  ydot <- vector(len = 5)

  ydot[1] <-  0.1*y[1] -0.2*y[2]
  ydot[2] <- -0.3*y[1] +0.1*y[2] -0.2*y[3]
  ydot[3] <-           -0.3*y[2] +0.1*y[3] -0.2*y[4]
  ydot[4] <-                     -0.3*y[3] +0.1*y[4] -0.2*y[5]
  ydot[5] <-                               -0.3*y[4] +0.1*y[5]

  return(list(ydot))
}

## the Jacobian, written as a full matrix
fulljac <- function  (t, y, parms)
{
   jac <- matrix(nrow = 5, ncol = 5, byrow = TRUE,
                data = c(0.1, -0.2,  0  ,  0  ,  0  ,
                        -0.3,  0.1, -0.2,  0  ,  0  ,
                         0  , -0.3,  0.1, -0.2,  0  ,
                         0  ,  0  , -0.3,  0.1, -0.2,
                         0  ,  0  ,  0  , -0.3,  0.1)    )
   return(jac)
}

## the Jacobian, written in banded form
bandjac <- function  (t, y, parms)
{
   jac <- matrix(nrow = 3, ncol = 5, byrow = TRUE,
                 data = c( 0  , -0.2, -0.2, -0.2, -0.2,
                           0.1,  0.1,  0.1,  0.1,  0.1,
                          -0.3, -0.3, -0.3, -0.3,    0)    )
   return(jac)
}

## initial conditions and output times
yini  <- 1:5
times <- 1:20

## default: stiff method, internally generated, full Jacobian
out   <- bimd(yini, times, f1, parms = 0, jactype = "fullint")
plot(out)

## stiff method, user-generated full Jacobian
out2  <- bimd(yini, times, f1, parms = 0, jactype = "fullusr",
              jacfunc = fulljac)

## stiff method, internally-generated banded Jacobian
## one nonzero band above (up) and below(down) the diagonal
out3  <- bimd(yini, times, f1, parms = 0, jactype = "bandint",
                              bandup = 1, banddown = 1)

## stiff method, user-generated banded Jacobian
out4  <- bimd(yini, times, f1, parms = 0, jactype = "bandusr",
              jacfunc = bandjac, bandup = 1, banddown = 1)


## =======================================================================
## Example 2:
##   stiff problem from chemical kinetics
## =======================================================================
Chemistry <- function (t, y, p) {
     dy1 <- -.04*y[1] + 1.e4*y[2]*y[3]
     dy2 <- .04*y[1] - 1.e4*y[2]*y[3] - 3.e7*y[2]^2
     dy3 <- 3.e7*y[2]^2
     list(c(dy1,dy2,dy3))
}

times <- 10^(seq(0, 10, by = 0.1))
yini <- c(y1 = 1.0, y2 = 0, y3 = 0)

out <- bimd(func = Chemistry, times = times, y = yini, parms = NULL)
plot(out, log = "x", type = "l", lwd = 2)


## =============================================================================
## Example 3: DAE
## Car axis problem, index 3 DAE, 8 differential, 2 algebraic equations
## from
## F. Mazzia and C. Magherini. Test Set for Initial Value Problem Solvers,
## release 2.4. Department
## of Mathematics, University of Bari and INdAM, Research Unit of Bari,
## February 2008.
## Available at http://www.dm.uniba.it/~testset.
## =============================================================================

## Problem is written as M*y = f(t,y,p).
## caraxisfun implements the right-hand side:

caraxisfun <- function(t, y, parms) {
  with(as.list(y), {

    yb <- r * sin(w * t)
    xb <- sqrt(L * L - yb * yb)
    Ll <- sqrt(xl^2 + yl^2)
    Lr <- sqrt((xr - xb)^2 + (yr - yb)^2)

    dxl <- ul; dyl <- vl; dxr <- ur; dyr <- vr

    dul  <- (L0-Ll) * xl/Ll      + 2 * lam2 * (xl-xr) + lam1*xb
    dvl  <- (L0-Ll) * yl/Ll      + 2 * lam2 * (yl-yr) + lam1*yb - k * g

    dur  <- (L0-Lr) * (xr-xb)/Lr - 2 * lam2 * (xl-xr)
    dvr  <- (L0-Lr) * (yr-yb)/Lr - 2 * lam2 * (yl-yr) - k * g

    c1   <- xb * xl + yb * yl
    c2   <- (xl - xr)^2 + (yl - yr)^2 - L * L

    list(c(dxl, dyl, dxr, dyr, dul, dvl, dur, dvr, c1, c2))
  })
}

eps <- 0.01; M <- 10; k <- M * eps^2/2;
L <- 1; L0 <- 0.5; r <- 0.1; w <- 10; g <- 1

yini <- c(xl = 0, yl = L0, xr = L, yr = L0,
          ul = -L0/L, vl = 0,
          ur = -L0/L, vr = 0,
          lam1 = 0, lam2 = 0)

# the mass matrix
Mass      <- diag(nrow = 10, 1)
Mass[5,5] <- Mass[6,6] <- Mass[7,7] <- Mass[8,8] <- M * eps * eps/2
Mass[9,9] <- Mass[10,10] <- 0
Mass

# index of the variables: 4 of index 1, 4 of index 2, 2 of index 3
index <- c(4, 4, 2)

times <- seq(0, 3, by = 0.01)
out <- bimd(y = yini, mass = Mass, times = times, func = caraxisfun,
        parms = NULL, nind = index)

plot(out, which = 1:4, type = "l", lwd = 2)

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