NAG Library Function Document
nag_complex_banded_eigensystem_solve (f12auc)
Note: this function uses optional arguments to define choices in the problem specification. If you wish to use default
settings for all of the optional arguments, then the option setting function nag_complex_sparse_eigensystem_option (f12arc) need not be called.
If, however, you wish to reset some or all of the settings please refer to Section 11 in nag_complex_sparse_eigensystem_option (f12arc) for a detailed description of the specification of the optional arguments.
1 Purpose
nag_complex_banded_eigensystem_solve (f12auc) is the main solver function in a suite of functions consisting of
nag_complex_sparse_eigensystem_option (f12arc),
nag_complex_banded_eigensystem_init (f12atc) and nag_complex_banded_eigensystem_solve (f12auc). It must be called following an initial call to
nag_complex_banded_eigensystem_init (f12atc) and following any calls to
nag_complex_sparse_eigensystem_option (f12arc).
nag_complex_banded_eigensystem_solve (f12auc) returns approximations to selected eigenvalues, and (optionally) the corresponding eigenvectors, of a standard or generalized eigenvalue problem defined by complex banded non-Hermitian matrices. The banded matrix must be stored using the LAPACK
column ordered
storage format for complex banded non-Hermitian
(see
Section 3.3.4 in the f07 Chapter Introduction).
2 Specification
#include <nag.h> |
#include <nagf12.h> |
void |
nag_complex_banded_eigensystem_solve (Integer kl,
Integer ku,
const Complex ab[],
const Complex mb[],
Complex sigma,
Integer *nconv,
Complex d[],
Complex z[],
Complex resid[],
Complex v[],
Complex comm[],
Integer icomm[],
NagError *fail) |
|
3 Description
The suite of functions is designed to calculate some of the eigenvalues, , (and optionally the corresponding eigenvectors, ) of a standard eigenvalue problem , or of a generalized eigenvalue problem of order , where is large and the coefficient matrices and are banded, complex and non-Hermitian.
Following a call to the initialization function
nag_complex_banded_eigensystem_init (f12atc), nag_complex_banded_eigensystem_solve (f12auc) returns the converged approximations to eigenvalues and (optionally) the corresponding approximate eigenvectors and/or a unitary basis for the associated approximate invariant subspace. The eigenvalues (and eigenvectors) are selected from those of a standard or generalized eigenvalue problem defined by complex banded non-Hermitian matrices. There is negligible additional computational cost to obtain eigenvectors; a unitary basis is always computed, but there is an additional storage cost if both are requested.
The banded matrices
and
must be stored using the LAPACK column ordered storage format for banded non-Hermitian matrices; please refer to
Section 3.3.4 in the f07 Chapter Introduction for details on this storage format.
nag_complex_banded_eigensystem_solve (f12auc) is based on the banded driver functions
znbdr1 to
znbdr4 from the ARPACK package, which uses the Implicitly Restarted Arnoldi iteration method. The method is described in
Lehoucq and Sorensen (1996) and
Lehoucq (2001) while its use within the ARPACK software is described in great detail in
Lehoucq et al. (1998). An evaluation of software for computing eigenvalues of sparse non-Hermitian matrices is provided in
Lehoucq and Scott (1996). This suite of functions offers the same functionality as the ARPACK banded driver software for complex non-Hermitian problems, but the interface design is quite different in order to make the option setting clearer and to combine the different drivers into a general purpose function.
nag_complex_banded_eigensystem_solve (f12auc), is a general purpose function that must be called following initialization by
nag_complex_banded_eigensystem_init (f12atc). nag_complex_banded_eigensystem_solve (f12auc) uses options, set either by default or explicitly by calling
nag_complex_sparse_eigensystem_option (f12arc), to return the converged approximations to selected eigenvalues and (optionally):
– |
the corresponding approximate eigenvectors; |
– |
a unitary basis for the associated approximate invariant subspace; |
– |
both. |
4 References
Lehoucq R B (2001) Implicitly restarted Arnoldi methods and subspace iteration SIAM Journal on Matrix Analysis and Applications 23 551–562
Lehoucq R B and Scott J A (1996) An evaluation of software for computing eigenvalues of sparse nonsymmetric matrices Preprint MCS-P547-1195 Argonne National Laboratory
Lehoucq R B and Sorensen D C (1996) Deflation techniques for an implicitly restarted Arnoldi iteration SIAM Journal on Matrix Analysis and Applications 17 789–821
Lehoucq R B, Sorensen D C and Yang C (1998) ARPACK Users' Guide: Solution of Large-scale Eigenvalue Problems with Implicitly Restarted Arnoldi Methods SIAM, Philidelphia
5 Arguments
Note: in the following description
n,
nev and
ncv appears. In every case they should be interpretted as the value associated with the identically named argument in a prior call to
nag_complex_banded_eigensystem_init (f12atc).
- 1:
– IntegerInput
-
On entry: the number of subdiagonals of the matrices and .
Constraint:
.
- 2:
– IntegerInput
-
On entry: the number of superdiagonals of the matrices and .
Constraint:
.
- 3:
– const ComplexInput
-
Note: the dimension,
dim, of the array
ab
must be at least
(see
nag_complex_banded_eigensystem_init (f12atc)).
On entry: must contain the matrix
in LAPACK column-ordered banded storage format for non-Hermitian matrices; that is, element
is stored in
, which may be written as
, for
and
, (see
Section 3.3.4 in the f07 Chapter Introduction).
- 4:
– const ComplexInput
-
Note: the dimension,
dim, of the array
mb
must be at least
(see
nag_complex_banded_eigensystem_init (f12atc)).
On entry: must contain the matrix
in LAPACK column-ordered banded storage format for non-Hermitian matrices; that is, element
is stored in
, which may be written as
, for
and
, (see
Section 3.3.4 in the f07 Chapter Introduction).
- 5:
– ComplexInput
-
On entry: if the
mode (see
nag_complex_sparse_eigensystem_option (f12arc)) has been selected then
sigma must contain the shift used; otherwise
sigma is not referenced.
Section 4.2 in the f12 Chapter Introduction describes the use of shift and invert transformations.
- 6:
– Integer *Output
-
On exit: the number of converged eigenvalues.
- 7:
– ComplexOutput
-
On exit: the first
nconv locations of the array
d contain the converged approximate eigenvalues.
- 8:
– ComplexOutput
-
Note: the dimension,
dim, of the array
z
must be at least
if the default option
(see
nag_complex_sparse_eigensystem_option (f12arc)) has been selected (see
nag_complex_banded_eigensystem_init (f12atc)).
On exit: if the default option
(see
nag_complex_sparse_eigensystem_option (f12arc)) has been selected then
z contains the final set of eigenvectors corresponding to the eigenvalues held in
d, otherwise
z is not referenced and may be
NULL. The complex eigenvector associated with an eigenvalue
is stored in the corresponding array section of
z, namely
, for
and
.
- 9:
– ComplexInput/Output
-
On entry: need not be set unless the option
has been set in a prior call to
nag_complex_sparse_eigensystem_option (f12arc) in which case
resid must contain an initial residual vector.
On exit: contains the final residual vector. This can be used as the starting residual to improve convergence on the solution of a closely related eigenproblem. This has no relation to the error residual or .
- 10:
– ComplexOutput
-
On exit: if the option
or
(see
nag_complex_sparse_eigensystem_option (f12arc)) has been set and a separate array
z has been passed (i.e.,
z does not equal
v), then the first
nconv sections of
v, of length
, will contain approximate Schur vectors that span the desired invariant subspace.
The th Schur vector is stored in locations
, for and .
- 11:
– ComplexCommunication Array
-
- 12:
– IntegerCommunication Array
-
- 13:
– NagError *Input/Output
-
The NAG error argument (see
Section 3.6 in the Essential Introduction).
6 Error Indicators and Warnings
- NE_ALLOC_FAIL
-
Dynamic memory allocation failed.
See
Section 3.2.1.2 in the Essential Introduction for further information.
- NE_BAD_PARAM
-
On entry, argument had an illegal value.
- NE_COMP_BAND_FAC
-
Failure during internal factorization of complex banded matrix. Please contact
NAG.
- NE_COMP_BAND_SOL
-
Failure during internal solution of complex banded matrix. Please contact
NAG.
- NE_EIGENVALUES
-
The number of eigenvalues found to sufficient accuracy is zero.
- NE_INITIALIZATION
-
Either the initialization function has not been called prior to the first call of this function or a communication array has become corrupted.
- NE_INT
-
On entry, .
Constraint: .
On entry, .
Constraint: .
- NE_INTERNAL_EIGVAL_FAIL
-
Error in internal call to compute eigenvalues and corresponding error bounds of the current upper Hessenberg matrix. Please contact
NAG.
- NE_INTERNAL_EIGVEC_FAIL
-
Error in internal call to compute eigenvectors. Please contact
NAG.
- 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.
An unexpected error has been triggered by this function. Please contact
NAG.
See
Section 3.6.6 in the Essential Introduction for further information.
- NE_INVALID_OPTION
-
On entry, , but this is not yet implemented.
The maximum number of iterations , the option has been set to .
- NE_NO_ARNOLDI_FAC
-
Could not build an Arnoldi factorization. The size of the current Arnoldi factorization .
- NE_NO_LICENCE
-
Your licence key may have expired or may not have been installed correctly.
See
Section 3.6.5 in the Essential Introduction for further information.
- NE_NO_SHIFTS_APPLIED
-
No shifts could be applied during a cycle of the implicitly restarted Arnoldi iteration.
- NE_OPT_INCOMPAT
-
The options and are incompatible.
- NE_OVERFLOW
-
Overflow occurred during transformation of Ritz values to those of the original problem.
- NE_REAL_BAND_FAC
-
Failure during internal factorization of real banded matrix. Please contact
NAG.
- NE_REAL_BAND_SOL
-
Failure during internal solution of real banded matrix. Please contact
NAG.
- NE_SCHUR_EIG_FAIL
-
During calculation of a Schur form, there was a failure to compute a number of eigenvalues Please contact
NAG.
- NE_SCHUR_REORDER
-
The computed Schur form could not be reordered by an internal call. Please contact
NAG.
- NE_TOO_MANY_ITER
-
The maximum number of iterations has been reached. The maximum number of . The number of converged eigenvalues .
- NE_ZERO_RESID
-
The option
was selected but the starting vector held in
resid is zero.
7 Accuracy
The relative accuracy of a Ritz value,
, is considered acceptable if its Ritz estimate
. The default
used is the
machine precision given by
nag_machine_precision (X02AJC).
8 Parallelism and Performance
nag_complex_banded_eigensystem_solve (f12auc) is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library.
nag_complex_banded_eigensystem_solve (f12auc) 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.
None.
10 Example
This example constructs the matrices and using LAPACK band storage format and solves in shifted inverse mode using the complex shift .
10.1 Program Text
Program Text (f12auce.c)
10.2 Program Data
Program Data (f12auce.d)
10.3 Program Results
Program Results (f12auce.r)