NAG Library Routine Document

F12FAF

▸▿ Contents

1 Purpose

2 Specification

3 Description

4 References

5 Parameters

6 Error Indicators and Warnings

7 Accuracy

8 Parallelism and Performance

9 Further Comments

▸▿ 10 Example

10.1 Program Text

10.2 Program Data

10.3 Program Results

1 Purpose

F12FAF is a setup routine in a suite of routines consisting of F12FAF, F12FBF, F12FCF, F12FDF and F12FEF. It is used to find some of the eigenvalues (and optionally the corresponding eigenvectors) of a standard or generalized eigenvalue problem defined by real symmetric matrices.

The suite of routines is suitable for the solution of large sparse, standard or generalized, symmetric eigenproblems where only a few eigenvalues from a selected range of the spectrum are required.

2 Specification

SUBROUTINE F12FAF (

N, NEV, NCV, ICOMM, LICOMM, COMM, LCOMM, IFAIL)

INTEGER	N, NEV, NCV, ICOMM(max(1,LICOMM)), LICOMM, LCOMM, IFAIL
REAL (KIND=nag_wp)	COMM(max(1,LCOMM))

3 Description

The suite of routines is designed to calculate some of the eigenvalues,

λ

, (and optionally the corresponding eigenvectors,

x

) of a standard eigenvalue problem

A x = λ x

, or of a generalized eigenvalue problem

A x = λ B x

of order

n

, where

n

is large and the coefficient matrices

A

and

B

are sparse, real and symmetric. The suite can also be used to find selected eigenvalues/eigenvectors of smaller scale dense, real and symmetric problems.

F12FAF is a setup routine which must be called before F12FBF, the reverse communication iterative solver, and before F12FDF, the options setting routine. F12FCF, is a post-processing routine that must be called following a successful final exit from F12FBF, while F12FEF can be used to return additional monitoring information during the computation.

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 F12FDF, 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 11.1 in F12FDF.

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 $A$ (and the order of the matrix $B$ for the generalized problem) that defines the eigenvalue problem.

Constraint: $N > 0$ .
2: $NEV$ – INTEGERInput: On entry: the number of eigenvalues to be computed.

Constraint: $0 < NEV < N - 1$ .
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 $NCV \geq 2 \times NEV + 1$ . 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: $NEV < NCV \leq N$ .
4: $ICOMM (\max (1, LICOMM))$ – INTEGER arrayCommunication Array: On exit: contains data to be communicated to the other routines in the suite.
5: $LICOMM$ – INTEGERInput: On entry: the dimension of the array ICOMM as declared in the (sub)program from which F12FAF is called.
If $LICOMM = - 1$ , a workspace query is assumed and the routine only calculates the required dimensions of ICOMM and COMM, which it returns in $ICOMM (1)$ and $COMM (1)$ respectively.

Constraint: $LICOMM \geq 140 or LICOMM = - 1$ .
6: $COMM (\max (1, LCOMM))$ – REAL (KIND=nag_wp) arrayCommunication Array: On exit: contains data to be communicated to the other routines in the suite.
7: $LCOMM$ – INTEGERInput: On entry: the dimension of the array COMM as declared in the (sub)program from which F12FAF is called.
If $LCOMM = - 1$ , a workspace query is assumed and the routine only calculates the dimensions of ICOMM and COMM required by F12FBF, which it returns in $ICOMM (1)$ and $COMM (1)$ respectively.

Constraint: $LCOMM \geq 3 \times N + NCV \times NCV + 8 \times NCV + 60 or LCOMM = - 1$ .
8: $IFAIL$ – INTEGERInput/Output: On entry: IFAIL must be set to $0$ , $- 1 or 1$ . 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 $- 1 or 1$ is recommended. If the output of error messages is undesirable, then the value $1$ is recommended. Otherwise, if you are not familiar with this parameter, the recommended value is $0$ . When the value $- 1 or 1$ is used it is essential to test the value of IFAIL on exit.

On exit: $IFAIL = 0$ unless the routine detects an error or a warning has been flagged (see Section 6).

6 Error Indicators and Warnings

If on entry

IFAIL = 0

- 1

, explanatory error messages are output on the current error message unit (as defined by X04AAF).

Errors or warnings detected by the routine:

$IFAIL = 1$: On entry, $N \leq 0$ .

$IFAIL = 2$: On entry, $NEV \leq 0$ .

$IFAIL = 3$: On entry, $NCV \leq NEV$ or $NCV > N$ .

$IFAIL = 4$: On entry, $LICOMM < 140$ and $LICOMM \neq - 1$ .

$IFAIL = 5$: On entry, $LCOMM < 3 \times N + NCV \times NCV + 8 \times NCV + 60$ and $LCOMM \neq - 1$ .

$IFAIL = - 99$: An unexpected error has been triggered by this routine. Please contact NAG.
See Section 3.8 in the Essential Introduction for further information.

$IFAIL = - 399$: Your licence key may have expired or may not have been installed correctly.
See Section 3.7 in the Essential Introduction for further information.

$IFAIL = - 999$: Dynamic memory allocation failed.
See Section 3.6 in the Essential Introduction for further information.

7 Accuracy

Not applicable.

8 Parallelism and Performance

Not applicable.

9 Further Comments

None.

10 Example

This example solves

A x = λ x

in regular mode, where

A

is obtained from the standard central difference discretization of the Laplacian operator

\frac{\partial^{2} u}{\partial x^{2}} + \frac{\partial^{2} u}{\partial y^{2}}

on the unit square, with zero Dirichlet boundary conditions. Eigenvalues of smallest magnitude are selected.

NAG Library Routine DocumentF12FAF