NAG FL Interface
f12aqf (complex_​proc)

Note: this routine 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 routine f12arf need not be called. If, however, you wish to reset some or all of the settings please refer to Section 11 in f12arf for a detailed description of the specification of the optional parameters.
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1 Purpose

f12aqf is a post-processing routine in a suite of routines consisting of f12anf, f12apf, f12aqf, f12arf and f12asf. It must be called following a final exit from f12apf.

2 Specification

Fortran Interface
Subroutine f12aqf ( nconv, d, z, ldz, sigma, resid, v, ldv, comm, icomm, ifail)
Integer, Intent (In) :: ldz, ldv
Integer, Intent (Inout) :: icomm(*), ifail
Integer, Intent (Out) :: nconv
Complex (Kind=nag_wp), Intent (In) :: sigma, resid(*)
Complex (Kind=nag_wp), Intent (Inout) :: d(*), z(ldz,*), v(ldv,*), comm(*)
C Header Interface
#include <nag.h>
void  f12aqf_ (Integer *nconv, Complex d[], Complex z[], const Integer *ldz, const Complex *sigma, const Complex resid[], Complex v[], const Integer *ldv, Complex comm[], Integer icomm[], Integer *ifail)
The routine may be called by the names f12aqf or nagf_sparseig_complex_proc.

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 Ax = λx , or of a generalized eigenvalue problem Ax = λBx of order n , where n is large and the coefficient matrices A and B are sparse, complex and nonsymmetric. The suite can also be used to find selected eigenvalues/eigenvectors of smaller scale dense, complex and nonsymmetric problems.
Following a call to f12apf, f12aqf returns the converged approximations to eigenvalues and (optionally) the corresponding approximate eigenvectors and/or an orthonormal 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 nonsymmetric matrices. There is negligible additional cost to obtain eigenvectors; an orthonormal basis is always computed, but there is an additional storage cost if both are requested.
f12aqf is based on the routine zneupd 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 nonsymmetric matrices is provided in Lehoucq and Scott (1996). This suite of routines offers the same functionality as the ARPACK software for complex nonsymmetric problems, but the interface design is quite different in order to make the option setting clearer and to simplify some of the interfaces.
f12aqf is a post-processing routine that must be called following a successful final exit from f12apf. f12aqf uses data returned from f12apf and options, set either by default or explicitly by calling f12arf, to return the converged approximations to selected eigenvalues and (optionally):

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, Philadelphia

5 Arguments

1: nconv Integer Output
On exit: the number of converged eigenvalues as found by f12arf.
2: d(*) Complex (Kind=nag_wp) array Output
Note: the dimension of the array d must be at least ncv (see f12anf).
On exit: the first nconv locations of the array d contain the converged approximate eigenvalues.
3: z(ldz,*) Complex (Kind=nag_wp) array Output
Note: the second dimension of the array z must be at least nev if the default option Vectors=RITZ has been selected and at least 1 if the option Vectors=NONE or SCHUR has been selected (see f12anf).
On exit: if the default option Vectors=RITZ (see f12adf) has been selected then z contains the final set of eigenvectors corresponding to the eigenvalues held in d. The complex eigenvector associated with an eigenvalue is stored in the corresponding column of z.
4: ldz Integer Input
On entry: the first dimension of the array z as declared in the (sub)program from which f12aqf is called.
Constraints:
  • if the default option Vectors=RITZ has been selected, ldzn;
  • if the option Vectors=NONE or SCHUR has been selected, ldz1.
5: sigma Complex (Kind=nag_wp) Input
On entry: if one of the Shifted Inverse (see f12arf) modes has been selected then sigma contains the shift used; otherwise sigma is not referenced.
6: resid(*) Complex (Kind=nag_wp) array Input
Note: the dimension of the array resid must be at least n (see f12anf).
On entry: must not be modified following a call to f12apf since it contains data required by f12aqf.
7: v(ldv,*) Complex (Kind=nag_wp) array Input/Output
Note: the second dimension of the array v must be at least max(1,ncv)  (see f12anf).
On entry: the ncv columns of v contain the Arnoldi basis vectors for op as constructed by f12apf.
On exit: if the option Vectors=SCHUR or RITZ has been set and a separate array z has been passed (i.e., z does not equal v), then the first nconv columns of v will contain approximate Schur vectors that span the desired invariant subspace.
8: ldv Integer Input
On entry: the first dimension of the array v as declared in the (sub)program from which f12aqf is called.
Constraint: ldvn.
9: comm(*) Complex (Kind=nag_wp) array Communication Array
Note: the actual argument supplied must be the array comm supplied to the initialization routine f12anf.
On initial entry: must remain unchanged from the prior call to f12anf.
On exit: contains data on the current state of the solution.
10: icomm(*) Integer array Communication Array
Note: the actual argument supplied must be the array icomm supplied to the initialization routine f12anf.
On initial entry: must remain unchanged from the prior call to f12anf.
On exit: contains data on the current state of the solution.
11: ifail Integer Input/Output
On entry: ifail must be set to 0, -1 or 1 to set behaviour on detection of an error; these values have no effect when no error is detected.
A value of 0 causes the printing of an error message and program execution will be halted; otherwise program execution continues. A value of -1 means that an error message is printed while a value of 1 means that it is not.
If halting is not appropriate, the value -1 or 1 is recommended. If message printing is undesirable, then the value 1 is recommended. Otherwise, the value 0 is recommended. 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 or -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, ldz=value, n=value in f12anf.
Constraint: when vectors are required, ldzmax(1,n) (see n in f12anf); otherwise, ldz1.
ifail=2
On entry, Vectors=Select, but this is not yet implemented.
ifail=3
The number of eigenvalues found to sufficient accuracy, as communicated through the argument icomm, is zero. You should experiment with different values of nev and ncv, or select a different computational mode or increase the maximum number of iterations prior to calling f12apf.
ifail=4
Got a different count of the number of converged Ritz values than the value passed to it through the argument icomm: number counted = value, number expected = value. This usually indicates that a communication array has been altered or has become corrupted between calls to f12apf and f12aqf.
ifail=5
During calculation of a Schur form, there was a failure to compute value eigenvalues in a total of value iterations.
ifail=6
The computed Schur form could not be reordered by an internal call. This routine returned with ifail=value. Please contact NAG.
ifail=7
In calculating eigenvectors, an internal call returned with an error. The routine returned with ifail=value. Please contact NAG.
ifail=-99
An unexpected error has been triggered by this routine. Please contact NAG.
See Section 7 in the Introduction to the NAG Library FL Interface for further information.
ifail=-399
Your licence key may have expired or may not have been installed correctly.
See Section 8 in the Introduction to the NAG Library FL Interface for further information.
ifail=-999
Dynamic memory allocation failed.
See Section 9 in the Introduction to the NAG Library FL Interface for further information.

7 Accuracy

The relative accuracy of a Ritz value, λ , is considered acceptable if its Ritz estimate Tolerance × |λ| . The default Tolerance used is the machine precision given by x02ajf.

8 Parallelism and Performance

f12aqf 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 routine. Please also consult the Users' Note for your implementation for any additional implementation-specific information.

9 Further Comments

None.

10 Example

This example solves Ax = λBx in regular-invert mode, where A and B are derived from the standard central difference discretization of the one-dimensional convection-diffusion operator d2u dx2 + ρ du dx on [0,1] , with zero Dirichlet boundary conditions.

10.1 Program Text

Program Text (f12aqfe.f90)

10.2 Program Data

Program Data (f12aqfe.d)

10.3 Program Results

Program Results (f12aqfe.r)