NAG CL Interface
f12auc (complex_band_solve)
Note: this function uses optional parameters to define choices in the problem specification. If you wish to use default
settings for all of the optional parameters, then the option setting function f12arc need not be called.
If, however, you wish to reset some or all of the settings please refer to Section 11 in f12arc for a detailed description of the specification of the optional parameters.
1
Purpose
f12auc is the main solver function in a suite of functions consisting of
f12arc,
f12atc and
f12auc. It must be called following an initial call to
f12atc and following any calls to
f12arc.
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 3.4.4 in the
F07 Chapter Introduction).
2
Specification
void |
f12auc (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) |
|
The function may be called by the names: f12auc, nag_sparseig_complex_band_solve or nag_complex_banded_eigensystem_solve.
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
f12atc,
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 3.4.4 in the
F07 Chapter Introduction for details on this storage format.
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.
f12auc, is a general purpose function that must be called following initialization by
f12atc.
f12auc uses options, set either by default or explicitly by calling
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
f12atc.
-
1:
– Integer
Input
-
On entry: the number of subdiagonals of the matrices and .
Constraint:
.
-
2:
– Integer
Input
-
On entry: the number of superdiagonals of the matrices and .
Constraint:
.
-
3:
– const Complex
Input
-
Note: the dimension,
dim, of the array
ab
must be at least
.
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 3.4.4 in the
F07 Chapter Introduction).
-
4:
– const Complex
Input
-
Note: the dimension,
dim, of the array
mb
must be at least
.
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 3.4.4 in the
F07 Chapter Introduction).
-
5:
– Complex
Input
-
On entry: if the
mode (see
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:
– Complex
Output
-
Note: the dimension,
dim, of the array
d
must be at least
(see
f12atc).
On exit: the first
nconv locations of the array
d contain the converged approximate eigenvalues.
-
8:
– Complex
Output
-
Note: the dimension,
dim, of the array
z
must be at least
if the default option
(see
f12arc) has been selected (see
f12atc).
On exit: if the default option
(see
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:
– Complex
Input/Output
-
Note: the dimension,
dim, of the array
resid
must be at least
(see
f12atc).
On entry: need not be set unless the option
has been set in a prior call to
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:
– Complex
Output
-
On exit: if the option
or
(see
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:
– Complex
Communication Array
-
On entry: must remain unchanged from the prior call to
f12arc and
f12atc.
-
12:
– Integer
Communication Array
-
On entry: must remain unchanged from the prior call to
f12arc and
f12atc.
-
13:
– NagError *
Input/Output
-
The NAG error argument (see
Section 7 in the Introduction to the NAG Library CL Interface).
6
Error Indicators and Warnings
- NE_ALLOC_FAIL
-
Dynamic memory allocation failed.
See
Section 3.1.2 in the Introduction to the NAG Library CL Interface 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.
See
Section 7.5 in the Introduction to the NAG Library CL Interface 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 8 in the Introduction to the NAG Library CL Interface 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
X02AJC.
8
Parallelism and Performance
f12auc is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library.
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
10.2
Program Data
10.3
Program Results