NAG Library Routine Document
F12ATF
Note: before using this routine, please read the Users' Note for your implementation to check the interpretation of bold italicised terms and other implementation-dependent details.
1 Purpose
F12ATF is a setup routine for
F12AUF which may be used for finding some 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 matrices (see
Section 3.3.4 in the F07 Chapter Introduction).
2 Specification
INTEGER
N, NEV, NCV, ICOMM(max(1,LICOMM)), LICOMM, LCOMM, IFAIL
COMPLEX (KIND=nag_wp)
COMM(max(1,LCOMM))
3 Description
The pair of routines F12ATF and
F12AUF together with the option setting routine
F12ARF are 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.
F12ATF is a setup routine which must be called before the option setting routine
F12ARF and the solver routine
F12AUF. Internally,
F12AUF makes calls to
F12APF and
F12AQF; the routine documents for
F12APF and
F12AQF should be consulted for details of the algorithm used.
This setup routine initializes the communication arrays, sets (to their default values) all options that can be set by you via the option setting routine
F12ARF, and checks that the lengths of the communication arrays as passed by you are of sufficient length. For details of the options available and how to set them, see
Section 10.1 in F12ARF.
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 Parameters
- 1: N – INTEGERInput
On entry: the order of the matrix (and the order of the matrix for the generalized problem) that defines the eigenvalue problem.
Constraint:
.
- 2: NEV – INTEGERInput
On entry: the number of eigenvalues to be computed.
Constraint:
.
- 3: NCV – INTEGERInput
On entry: the number of Lanczos basis vectors to use during the computation.
At present there is no
a priori analysis to guide the selection of
NCV relative to
NEV. However, it is recommended that
. If many problems of the same type are to be solved, you should experiment with increasing
NCV while keeping
NEV fixed for a given test problem. This will usually decrease the required number of matrix-vector operations but it also increases the work and storage required to maintain the orthogonal basis vectors. The optimal ‘cross-over’ with respect to CPU time is problem dependent and must be determined empirically.
Constraint:
.
- 4: ICOMM() – INTEGER arrayCommunication Array
On exit: contains data to be communicated to
F12AUF.
- 5: LICOMM – INTEGERInput
On entry: the dimension of the array
ICOMM as declared in the (sub)program from which F12ATF is called.
If
, a workspace query is assumed and the routine only calculates the required dimensions of
ICOMM and
COMM, which it returns in
and
respectively.
Constraint:
.
- 6: COMM() – COMPLEX (KIND=nag_wp) arrayCommunication Array
On exit: contains data to be communicated to
F12AUF.
- 7: LCOMM – INTEGERInput
On entry: the dimension of the array
COMM as declared in the (sub)program from which F12ATF is called.
If
, a workspace query is assumed and the routine only calculates the dimensions of
ICOMM and
COMM required by
F12AUF, which it returns in
and
respectively.
Constraint:
.
- 8: IFAIL – INTEGERInput/Output
-
On entry:
IFAIL must be set to
,
. If you are unfamiliar with this parameter you should refer to
Section 3.3 in the Essential Introduction for details.
For environments where it might be inappropriate to halt program execution when an error is detected, the value
is recommended. If the output of error messages is undesirable, then the value
is recommended. Otherwise, if you are not familiar with this parameter, the recommended value is
.
When the value is used it is essential to test the value of IFAIL on exit.
On exit:
unless the routine detects an error or a warning has been flagged (see
Section 6).
6 Error Indicators and Warnings
If on entry
or
, explanatory error messages are output on the current error message unit (as defined by
X04AAF).
Errors or warnings detected by the routine:
-
On entry, .
Constraint: .
-
On entry, .
Constraint: .
-
On entry, , and .
Constraint: and .
-
The length of the integer array
ICOMM is too small
, but must be at least
.
-
The length of the complex array
COMM is too small
, but must be at least
.
7 Accuracy
Not applicable.
None.
9 Example
The use of F12ATF is illustrated in
Section 9 in F12AUF.