NAG Library Function Document
nag_matop_real_gen_matrix_fun_usd (f01emc)
1
Purpose
nag_matop_real_gen_matrix_fun_usd (f01emc) computes the matrix function, , of a real by matrix , using analytical derivatives of you have supplied.
2
Specification
#include <nag.h> |
#include <nagf01.h> |
void |
nag_matop_real_gen_matrix_fun_usd (Nag_OrderType order,
Integer n,
double a[],
Integer pda,
void |
(*f)(Integer m,
Integer *iflag,
Integer nz,
const Complex z[],
Complex fz[],
Nag_Comm *comm),
|
|
Nag_Comm *comm, Integer *iflag,
double *imnorm,
NagError *fail) |
|
3
Description
is computed using the Schur–Parlett algorithm described in
Higham (2008) and
Davies and Higham (2003).
The scalar function
, and the derivatives of
, are returned by the function
f which, given an integer
, should evaluate
at a number of (generally complex) points
, for
. For any
on the real line,
must also be real.
nag_matop_real_gen_matrix_fun_usd (f01emc) 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:
– Nag_OrderTypeInput
-
On entry: the
order argument specifies the two-dimensional storage scheme being used, i.e., row-major ordering or column-major ordering. C language defined storage is specified by
. See
Section 3.3.1.3 in How to Use the NAG Library and its Documentation for a more detailed explanation of the use of this argument.
Constraint:
or .
- 2:
– IntegerInput
-
On entry: , the order of the matrix .
Constraint:
.
- 3:
– doubleInput/Output
-
Note: the dimension,
dim, of the array
a
must be at least
.
The
th element of the matrix
is stored in
- when ;
- when .
On entry: the by matrix .
On exit: the by matrix, .
- 4:
– IntegerInput
-
On entry: the stride separating row or column elements (depending on the value of
order) in the array
a.
Constraint:
.
- 5:
– function, supplied by the userExternal Function
-
Given an integer
, the function
f evaluates
at a number of points
.
The specification of
f is:
void |
f (Integer m,
Integer *iflag,
Integer nz,
const Complex z[],
Complex fz[],
Nag_Comm *comm)
|
|
- 1:
– IntegerInput
-
On entry: the order,
, of the derivative required.
If , should be returned. For , should be returned.
- 2:
– Integer *Input/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
; for instance
may not be defined for a particular
. If
iflag is returned as nonzero then
nag_matop_real_gen_matrix_fun_usd (f01emc) will terminate the computation, with
NE_USER_STOP.
- 3:
– IntegerInput
-
On entry: , the number of function or derivative values required.
- 4:
– const ComplexInput
-
On entry: the points at which the function is to be evaluated.
- 5:
– ComplexOutput
-
On exit: the function or derivative values.
should return the value , for . If lies on the real line, then so must .
- 6:
– Nag_Comm *
Pointer to structure of type Nag_Comm; the following members are relevant to
f.
- user – double *
- iuser – Integer *
- p – Pointer
The type Pointer will be
void *. Before calling
nag_matop_real_gen_matrix_fun_usd (f01emc) you may allocate memory and initialize these pointers with various quantities for use by
f when called from
nag_matop_real_gen_matrix_fun_usd (f01emc) (see
Section 3.3.1.1 in How to Use the NAG Library and its Documentation).
Note: f should not return floating-point NaN (Not a Number) or infinity values, since these are not handled by
nag_matop_real_gen_matrix_fun_usd (f01emc). If your code inadvertently
does return any NaNs or infinities,
nag_matop_real_gen_matrix_fun_usd (f01emc) is likely to produce unexpected results.
- 6:
– Nag_Comm *
-
The NAG communication argument (see
Section 3.3.1.1 in How to Use the NAG Library and its Documentation).
- 7:
– Integer *Output
-
On exit:
, unless
iflag has been set nonzero inside
f, in which case
iflag will be the value set and
fail will be set to
NE_USER_STOP.
- 8:
– double *Output
-
On exit: if
has complex eigenvalues,
nag_matop_real_gen_matrix_fun_usd (f01emc) will use complex arithmetic to compute
. The imaginary part is discarded at the end of the computation, because it will theoretically vanish.
imnorm contains the
-norm of the imaginary part, which should be used to check that the function has given a reliable answer.
If has real eigenvalues, nag_matop_real_gen_matrix_fun_usd (f01emc) uses real arithmetic and .
- 9:
– NagError *Input/Output
-
The NAG error argument (see
Section 3.7 in How to Use the NAG Library and its Documentation).
6
Error Indicators and Warnings
- NE_ALLOC_FAIL
-
Dynamic memory allocation failed.
See
Section 2.3.1.2 in How to Use the NAG Library and its Documentation for further information.
- NE_BAD_PARAM
-
On entry, argument had an illegal value.
- NE_CONVERGENCE
-
A Taylor series failed to converge.
- NE_INT
-
On entry, .
Constraint: .
- NE_INT_2
-
On entry, and .
Constraint: .
- 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 2.7.6 in How to Use the NAG Library and its Documentation for further information.
An unexpected internal error occurred when ordering the eigenvalues of
. Please contact
NAG.
There was an error whilst reordering the Schur form of .
Note: this failure should not occur and suggests that the function has been called incorrectly.
The routine was unable to compute the Schur decomposition of .
Note: this failure should not occur and suggests that the function has been called incorrectly.
- NE_NO_LICENCE
-
Your licence key may have expired or may not have been installed correctly.
See
Section 2.7.5 in How to Use the NAG Library and its Documentation for further information.
- NE_USER_STOP
-
iflag has been set nonzero by the user.
7
Accuracy
For a normal matrix
(for which
), the Schur decomposition is diagonal and the algorithm reduces to evaluating
at the eigenvalues of
and then constructing
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
nag_matop_real_gen_matrix_fun_usd (f01emc) is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library. In these implementations, this function may make calls to the user-supplied functions from within an OpenMP parallel region. Thus OpenMP pragmas within the user functions can only be used if you are compiling the user-supplied function and linking the executable in accordance with the instructions in the
Users' Note for your implementation. You must also ensure that you use the NAG communication argument
comm in a thread safe manner, which is best achieved by only using it to supply read-only data to the user functions.
nag_matop_real_gen_matrix_fun_usd (f01emc) 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.
If has real eigenvalues then up to of double allocatable memory may be required. If has complex eigenvalues then up to of Complex allocatable memory may be required.
The cost of the Schur–Parlett algorithm depends on the spectrum of
, but is roughly between
and
floating-point operations. There is an additional cost in evaluating
and its derivatives.
If the derivatives of
are not known analytically, then
nag_matop_real_gen_matrix_fun_num (f01elc) can be used to evaluate
using numerical differentiation.
If
is real symmetric then it is recommended that
nag_matop_real_symm_matrix_fun (f01efc) be used as it is more efficient and, in general, more accurate than
nag_matop_real_gen_matrix_fun_usd (f01emc).
For any on the real line, must be real. must also be complex analytic on the spectrum of . These conditions ensure that is real for real .
For further information on matrix functions, see
Higham (2008).
If estimates of the condition number of the matrix function are required then
nag_matop_real_gen_matrix_cond_usd (f01jcc) should be used.
nag_matop_complex_gen_matrix_fun_usd (f01fmc) can be used to find the matrix function
for a complex matrix
.
10
Example
This example finds the
where
10.1
Program Text
Program Text (f01emce.c)
10.2
Program Data
Program Data (f01emce.d)
10.3
Program Results
Program Results (f01emce.r)