NAG Library Routine Document
f01fmf (complex_gen_matrix_fun_usd)
1
Purpose
f01fmf computes the matrix function, $f\left(A\right)$, of a complex $n$ by $n$ matrix $A$, using analytical derivatives of $f$ you have supplied.
2
Specification
Fortran Interface
Integer, Intent (In)  ::  n, lda  Integer, Intent (Inout)  ::  iuser(*), ifail  Integer, Intent (Out)  ::  iflag  Real (Kind=nag_wp), Intent (Inout)  ::  ruser(*)  Complex (Kind=nag_wp), Intent (Inout)  ::  a(lda,*)  External  ::  f 

C Header Interface
#include nagmk26.h
void 
f01fmf_ (const Integer *n, Complex a[], const Integer *lda, void (NAG_CALL *f)(const Integer *m, Integer *iflag, const Integer *nz, const Complex z[], Complex fz[], Integer iuser[], double ruser[]), Integer iuser[], double ruser[], Integer *iflag, Integer *ifail) 

3
Description
$f\left(A\right)$ is computed using the Schur–Parlett algorithm described in
Higham (2008) and
Davies and Higham (2003).
The scalar function
$f$, and the derivatives of
$f$, are returned by the subroutine
f which, given an integer
$m$, should evaluate
${f}^{\left(m\right)}\left({z}_{\mathit{i}}\right)$ at a number of points
${z}_{\mathit{i}}$, for
$\mathit{i}=1,2,\dots ,{n}_{z}$, on the complex plane.
f01fmf is therefore appropriate for functions that can be evaluated on the complex plane and whose derivatives, of arbitrary order, can also be evaluated on the complex plane.
4
References
Davies P I and Higham N J (2003) A Schur–Parlett algorithm for computing matrix functions. SIAM J. Matrix Anal. Appl. 25(2) 464–485
Higham N J (2008) Functions of Matrices: Theory and Computation SIAM, Philadelphia, PA, USA
5
Arguments
 1: $\mathbf{n}$ – IntegerInput

On entry: $n$, the order of the matrix $A$.
Constraint:
${\mathbf{n}}\ge 0$.
 2: $\mathbf{a}\left({\mathbf{lda}},*\right)$ – Complex (Kind=nag_wp) arrayInput/Output

Note: the second dimension of the array
a
must be at least
${\mathbf{n}}$.
On entry: the $n$ by $n$ matrix $A$.
On exit: the $n$ by $n$ matrix, $f\left(A\right)$.
 3: $\mathbf{lda}$ – IntegerInput

On entry: the first dimension of the array
a as declared in the (sub)program from which
f01fmf is called.
Constraint:
${\mathbf{lda}}\ge {\mathbf{n}}$.
 4: $\mathbf{f}$ – Subroutine, supplied by the user.External Procedure

Given an integer
$m$, the subroutine
f evaluates
${f}^{\left(m\right)}\left({z}_{i}\right)$ at a number of points
${z}_{i}$.
The specification of
f is:
Fortran Interface
Integer, Intent (In)  ::  m, nz  Integer, Intent (Inout)  ::  iflag, iuser(*)  Real (Kind=nag_wp), Intent (Inout)  ::  ruser(*)  Complex (Kind=nag_wp), Intent (In)  ::  z(nz)  Complex (Kind=nag_wp), Intent (Out)  ::  fz(nz) 

C Header Interface
#include nagmk26.h
void 
f (const Integer *m, Integer *iflag, const Integer *nz, const Complex z[], Complex fz[], Integer iuser[], double ruser[]) 

 1: $\mathbf{m}$ – IntegerInput

On entry: the order,
$m$, of the derivative required.
If ${\mathbf{m}}=0$, $f\left({z}_{i}\right)$ should be returned. For ${\mathbf{m}}>0$, ${f}^{\left(m\right)}\left({z}_{i}\right)$ should be returned.
 2: $\mathbf{iflag}$ – IntegerInput/Output

On entry:
iflag will be zero.
On exit:
iflag should either be unchanged from its entry value of zero, or may be set nonzero to indicate that there is a problem in evaluating the function
$f\left(z\right)$; for instance
$f\left({z}_{i}\right)$ may not be defined for a particular
${z}_{i}$. If
iflag is returned as nonzero then
f01fmf will terminate the computation, with
${\mathbf{ifail}}={\mathbf{2}}$.
 3: $\mathbf{nz}$ – IntegerInput

On entry: ${n}_{z}$, the number of function or derivative values required.
 4: $\mathbf{z}\left({\mathbf{nz}}\right)$ – Complex (Kind=nag_wp) arrayInput

On entry: the ${n}_{z}$ points ${z}_{1},{z}_{2},\dots ,{z}_{{n}_{z}}$ at which the function $f$ is to be evaluated.
 5: $\mathbf{fz}\left({\mathbf{nz}}\right)$ – Complex (Kind=nag_wp) arrayOutput

On exit: the ${n}_{z}$ function or derivative values.
${\mathbf{fz}}\left(\mathit{i}\right)$ should return the value ${f}^{\left(m\right)}\left({z}_{\mathit{i}}\right)$, for $\mathit{i}=1,2,\dots ,{n}_{z}$.
 6: $\mathbf{iuser}\left(*\right)$ – Integer arrayUser Workspace
 7: $\mathbf{ruser}\left(*\right)$ – Real (Kind=nag_wp) arrayUser Workspace

f is called with the arguments
iuser and
ruser as supplied to
f01fmf. You should use the arrays
iuser and
ruser to supply information to
f.
f must either be a module subprogram USEd by, or declared as EXTERNAL in, the (sub)program from which
f01fmf is called. Arguments denoted as
Input must
not be changed by this procedure.
Note: f should not return floatingpoint NaN (Not a Number) or infinity values, since these are not handled by
f01fmf. If your code inadvertently
does return any NaNs or infinities,
f01fmf is likely to produce unexpected results.
 5: $\mathbf{iuser}\left(*\right)$ – Integer arrayUser Workspace
 6: $\mathbf{ruser}\left(*\right)$ – Real (Kind=nag_wp) arrayUser Workspace

iuser and
ruser are not used by
f01fmf, but are passed directly to
f and may be used to pass information to this routine.
 7: $\mathbf{iflag}$ – IntegerOutput

On exit:
${\mathbf{iflag}}=0$, unless
iflag has been set nonzero inside
f, in which case
iflag will be the value set and
ifail will be set to
${\mathbf{ifail}}={\mathbf{2}}$.
 8: $\mathbf{ifail}$ – IntegerInput/Output

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).
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:
 ${\mathbf{ifail}}=1$

A Taylor series failed to converge.
 ${\mathbf{ifail}}=2$

iflag has been set nonzero by the user.
 ${\mathbf{ifail}}=3$

There was an error whilst reordering the Schur form of $A$.
Note: this failure should not occur and suggests that the routine has been called incorrectly.
 ${\mathbf{ifail}}=4$

The routine was unable to compute the Schur decomposition of $A$.
Note: this failure should not occur and suggests that the routine has been called incorrectly.
 ${\mathbf{ifail}}=5$

An unexpected internal error occurred. Please contact
NAG.
 ${\mathbf{ifail}}=1$

Input argument number $\u2329\mathit{\text{value}}\u232a$ is invalid.
 ${\mathbf{ifail}}=3$

On entry, argument
lda is invalid.
Constraint:
${\mathbf{lda}}\ge {\mathbf{n}}$.
 ${\mathbf{ifail}}=99$
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
For a normal matrix
$A$ (for which
${A}^{\mathrm{H}}A=A{A}^{\mathrm{H}}$), the Schur decomposition is diagonal and the algorithm reduces to evaluating
$f$ at the eigenvalues of
$A$ and then constructing
$f\left(A\right)$ using the Schur vectors. This should give a very accurate result. In general, however, no error bounds are available for the algorithm. See Section 9.4 of
Higham (2008) for further discussion of the Schur–Parlett algorithm.
8
Parallelism and Performance
f01fmf is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library. In these implementations, this routine may make calls to the usersupplied functions from within an OpenMP parallel region. Thus OpenMP directives within the user functions can only be used if you are compiling the usersupplied function and linking the executable in accordance with the instructions in the
Users' Note for your implementation. The user workspace arrays
iuser and
ruser are classified as OpenMP shared memory and use of
iuser and
ruser has to take account of this in order to preserve thread safety whenever information is written back to either of these arrays. If at all possible, it is recommended that these arrays are only used to supply readonly data to the user functions when a multithreaded implementation is being used.
f01fmf 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.
Up to $6{n}^{2}$ of
complex
allocatable memory is required.
The cost of the Schur–Parlett algorithm depends on the spectrum of
$A$, but is roughly between
$28{n}^{3}$ and
${n}^{4}/3$ floatingpoint operations. There is an additional cost in evaluating
$f$ and its derivatives.
If the derivatives of
$f$ are not known analytically, then
f01flf can be used to evaluate
$f\left(A\right)$ using numerical differentiation.
If
$A$ is complex Hermitian then it is recommended that
f01fff be used as it is more efficient and, in general, more accurate than
f01fmf.
Note that $f$ must be analytic in the region of the complex plane containing the spectrum of $A$.
For further information on matrix functions, see
Higham (2008).
If estimates of the condition number of the matrix function are required then
f01kcf should be used.
f01emf can be used to find the matrix function
$f\left(A\right)$ for a real matrix
$A$.
10
Example
This example finds the
${e}^{3A}$ where
10.1
Program Text
Program Text (f01fmfe.f90)
10.2
Program Data
Program Data (f01fmfe.d)
10.3
Program Results
Program Results (f01fmfe.r)