NAG FL Interface
f04bff (real_​posdef_​band_​solve)

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1 Purpose

f04bff computes the solution to a real system of linear equations AX=B, where A is an n×n symmetric positive definite band matrix of band width 2k+1, and X and B are n×r matrices. An estimate of the condition number of A and an error bound for the computed solution are also returned.

2 Specification

Fortran Interface
Subroutine f04bff ( uplo, n, kd, nrhs, ab, ldab, b, ldb, rcond, errbnd, ifail)
Integer, Intent (In) :: n, kd, nrhs, ldab, ldb
Integer, Intent (Inout) :: ifail
Real (Kind=nag_wp), Intent (Inout) :: ab(ldab,*), b(ldb,*)
Real (Kind=nag_wp), Intent (Out) :: rcond, errbnd
Character (1), Intent (In) :: uplo
C Header Interface
#include <nag.h>
void  f04bff_ (const char *uplo, const Integer *n, const Integer *kd, const Integer *nrhs, double ab[], const Integer *ldab, double b[], const Integer *ldb, double *rcond, double *errbnd, Integer *ifail, const Charlen length_uplo)
The routine may be called by the names f04bff or nagf_linsys_real_posdef_band_solve.

3 Description

The Cholesky factorization is used to factor A as A=UTU, if uplo='U', or A=LLT, if uplo='L', where U is an upper triangular band matrix with k superdiagonals, and L is a lower triangular band matrix with k subdiagonals. The factored form of A is then used to solve the system of equations AX=B.

4 References

Anderson E, Bai Z, Bischof C, Blackford S, Demmel J, Dongarra J J, Du Croz J J, Greenbaum A, Hammarling S, McKenney A and Sorensen D (1999) LAPACK Users' Guide (3rd Edition) SIAM, Philadelphia https://www.netlib.org/lapack/lug
Higham N J (2002) Accuracy and Stability of Numerical Algorithms (2nd Edition) SIAM, Philadelphia

5 Arguments

1: uplo Character(1) Input
On entry: if uplo='U', the upper triangle of the matrix A is stored.
If uplo='L', the lower triangle of the matrix A is stored.
Constraint: uplo='U' or 'L'.
2: n Integer Input
On entry: the number of linear equations n, i.e., the order of the matrix A.
Constraint: n0.
3: kd Integer Input
On entry: the number of superdiagonals k (and the number of subdiagonals) of the band matrix A.
Constraint: kd0.
4: nrhs Integer Input
On entry: the number of right-hand sides r, i.e., the number of columns of the matrix B.
Constraint: nrhs0.
5: ab(ldab,*) Real (Kind=nag_wp) array Input/Output
Note: the second dimension of the array ab must be at least max(1,n).
On entry: the n×n symmetric band matrix A. The upper or lower triangular part of the symmetric matrix is stored in the first kd+1 rows of the array. The jth column of A is stored in the jth column of the array ab as follows:
The matrix is stored in rows 1 to k+1, more precisely,
  • if uplo='U', the elements of the upper triangle of A within the band must be stored with element Aij in ab(k+1+i-j,j)​ for ​max(1,j-k)ij;
  • if uplo='L', the elements of the lower triangle of A within the band must be stored with element Aij in ab(1+i-j,j)​ for ​jimin(n,j+k).
See Section 9 below for further details.
On exit: if ifail=0 or n+1, the factor U or L from the Cholesky factorization A=UTU or A=LLT, in the same storage format as A.
6: ldab Integer Input
On entry: the first dimension of the array ab as declared in the (sub)program from which f04bff is called.
Constraint: ldabkd+1.
7: b(ldb,*) Real (Kind=nag_wp) array Input/Output
Note: the second dimension of the array b must be at least max(1,nrhs).
On entry: the n×r matrix of right-hand sides B.
On exit: if ifail=0 or n+1, the n×r solution matrix X.
8: ldb Integer Input
On entry: the first dimension of the array b as declared in the (sub)program from which f04bff is called.
Constraint: ldbmax(1,n).
9: rcond Real (Kind=nag_wp) Output
On exit: if ifail=0 or n+1, an estimate of the reciprocal of the condition number of the matrix A, computed as rcond=1/(A1A-11).
10: errbnd Real (Kind=nag_wp) Output
On exit: if ifail=0 or n+1, an estimate of the forward error bound for a computed solution x^, such that x^-x1/x1errbnd, where x^ is a column of the computed solution returned in the array b and x is the corresponding column of the exact solution X. If rcond is less than machine precision, errbnd is returned as unity.
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>0andifailn
The principal minor of order value of the matrix A is not positive definite. The factorization has not been completed and the solution could not be computed.
ifail=n+1
A solution has been computed, but rcond is less than machine precision so that the matrix A is numerically singular.
ifail=-1
On entry, uplo not one of 'U' or 'u' or 'L' or 'l': uplo=value.
ifail=-2
On entry, n=value.
Constraint: n0.
ifail=-3
On entry, kd=value.
Constraint: kd0.
ifail=-4
On entry, nrhs=value.
Constraint: nrhs0.
ifail=-6
On entry, ldab =value and kd =value.
Constraint: ldabkd+1.
ifail=-8
On entry, ldb=value and n=value.
Constraint: ldbmax(1,n).
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.
The integer allocatable memory required is n, and the real allocatable memory required is 3×n. Allocation failed before the solution could be computed.
See Section 9 in the Introduction to the NAG Library FL Interface for further information.

7 Accuracy

The computed solution for a single right-hand side, x^, satisfies an equation of the form
(A+E) x^=b,  
where
E1=O(ε) A1  
and ε is the machine precision. An approximate error bound for the computed solution is given by
x^-x1 x1 κ(A) E1 A1 ,  
where κ(A)=A-11A1, the condition number of A with respect to the solution of the linear equations. f04bff uses the approximation E1=εA1 to estimate errbnd. See Section 4.4 of Anderson et al. (1999) for further details.

8 Parallelism and Performance

f04bff is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library.
f04bff 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

The band storage scheme for the array ab is illustrated by the following example, when n=6, k=2, and uplo='U':
On entry:
* * a13 a24 a35 a46 * a12 a23 a34 a45 a56 a11 a22 a33 a44 a55 a66  
On exit:
* * u13 u24 u35 u46 * u12 u23 u34 u45 u56 u11 u22 u33 u44 u55 u66  
Similarly, if uplo='L' the format of ab is as follows:
On entry:
a11 a22 a33 a44 a55 a66 a21 a32 a43 a54 a65 * a31 a42 a53 a64 * *  
On exit:
l11 l22 l33 l44 l55 l66 l21 l32 l43 l54 l65 * l31 l42 l53 l64 * *  
Array elements marked * need not be set and are not referenced by the routine.
Assuming that nk, the total number of floating-point operations required to solve the equations AX=B is approximately n(k+1)2 for the factorization and 4nkr for the solution following the factorization. The condition number estimation typically requires between four and five solves and never more than eleven solves, following the factorization.
In practice the condition number estimator is very reliable, but it can underestimate the true condition number; see Section 15.3 of Higham (2002) for further details.
The complex analogue of f04bff is f04cff.

10 Example

This example solves the equations
AX=B,  
where A is the symmetric positive definite band matrix
A= ( 5.49 2.68 0 0 2.68 5.63 -2.39 0 0 -2.39 2.60 -2.22 0 0 -2.22 5.17 )   and   B= ( 22.09 5.10 9.31 30.81 -5.24 -25.82 11.83 22.90 ) .  
An estimate of the condition number of A and an approximate error bound for the computed solutions are also printed.

10.1 Program Text

Program Text (f04bffe.f90)

10.2 Program Data

Program Data (f04bffe.d)

10.3 Program Results

Program Results (f04bffe.r)