## MB04PU

### Computation of the Paige/Van Loan (PVL) form of a Hamiltonian matrix (unblocked algorithm)

[Specification] [Arguments] [Method] [References] [Comments] [Example]

Purpose

      To reduce a Hamiltonian matrix,

                    [  A   G  ]
               H =  [       T ] ,
                    [  Q  -A  ]

      where A is an N-by-N matrix and G,Q are N-by-N symmetric matrices,
      to Paige/Van Loan (PVL) form. That is, an orthogonal symplectic U
      is computed so that

                T       [  Aout   Gout  ]
               U H U =  [             T ] ,
                        [  Qout  -Aout  ]

      where Aout is upper Hessenberg and Qout is diagonal.
      Unblocked version.

Specification

          SUBROUTINE MB04PU( N, ILO, A, LDA, QG, LDQG, CS, TAU, DWORK,
         $                   LDWORK, INFO )
    C     .. Scalar Arguments ..
          INTEGER           ILO, INFO, LDA, LDQG, LDWORK, N
    C     .. Array Arguments ..
          DOUBLE PRECISION  A(LDA,*), CS(*), DWORK(*), QG(LDQG,*), TAU(*)

Arguments

Input/Output Parameters

      N       (input) INTEGER
              The order of the matrix A.  N >= 0.

      ILO     (input) INTEGER
              It is assumed that A is already upper triangular and Q is
              zero in rows and columns 1:ILO-1. ILO is normally set by a
              previous call to MB04DD; otherwise it should be set to 1.
              1 <= ILO <= N, if N > 0; ILO = 1, if N = 0.

      A       (input/output) DOUBLE PRECISION array, dimension (LDA,N)
              On entry, the leading N-by-N part of this array must
              contain the matrix A.
              On exit, the leading N-by-N part of this array contains
              the matrix Aout and, in the zero part of Aout,
              information about the elementary reflectors used to
              compute the PVL factorization.

      LDA     INTEGER
              The leading dimension of the array A.  LDA >= MAX(1,N).

      QG      (input/output) DOUBLE PRECISION array, dimension
                             (LDQG,N+1)
              On entry, the leading N-by-N+1 part of this array must
              contain the lower triangular part of the matrix Q and
              the upper triangular part of the matrix G.
              On exit, the leading N-by-N+1 part of this array contains
              the diagonal of the matrix Qout, the upper triangular part
              of the matrix Gout and, in the zero parts of Qout,
              information about the elementary reflectors used to
              compute the PVL factorization.

      LDQG    INTEGER
              The leading dimension of the array QG.  LDQG >= MAX(1,N).

      CS      (output) DOUBLE PRECISION array, dimension (2N-2)
              On exit, the first 2N-2 elements of this array contain the
              cosines and sines of the symplectic Givens rotations used
              to compute the PVL factorization.

      TAU     (output) DOUBLE PRECISION array, dimension (N-1)
              On exit, the first N-1 elements of this array contain the
              scalar factors of some of the elementary reflectors.

Workspace

      DWORK   DOUBLE PRECISION array, dimension (LDWORK)
              On exit, if INFO = 0,  DWORK(1)  returns the optimal
              value of LDWORK.
              On exit, if  INFO = -10,  DWORK(1)  returns the minimum
              value of LDWORK.

      LDWORK  INTEGER
              The length of the array DWORK.  LDWORK >= MAX(1,N-1).

Error Indicator

      INFO    INTEGER
              = 0:  successful exit;
              < 0:  if INFO = -i, the i-th argument had an illegal
                    value.

Method

      The matrix U is represented as a product of symplectic reflectors
      and Givens rotations

      U = diag( H(1),H(1) )     G(1)   diag( F(1),F(1) )
          diag( H(2),H(2) )     G(2)   diag( F(2),F(2) )
                                 ....
          diag( H(n-1),H(n-1) ) G(n-1) diag( F(n-1),F(n-1) ).

      Each H(i) has the form

            H(i) = I - tau * v * v'

      where tau is a real scalar, and v is a real vector with
      v(1:i) = 0 and v(i+1) = 1; v(i+2:n) is stored on exit in
      QG(i+2:n,i), and tau in QG(i+1,i).

      Each F(i) has the form

            F(i) = I - nu * w * w'

      where nu is a real scalar, and w is a real vector with
      w(1:i) = 0 and w(i+1) = 1; w(i+2:n) is stored on exit in
      A(i+2:n,i), and nu in TAU(i).

      Each G(i) is a Givens rotation acting on rows i+1 and n+i+1,
      where the cosine is stored in CS(2*i-1) and the sine in
      CS(2*i).

Numerical Aspects

      The algorithm requires 40/3 N**3 + O(N) floating point operations
      and is strongly backward stable.

References

      [1] C. F. VAN LOAN:
          A symplectic method for approximating all the eigenvalues of
          a Hamiltonian matrix.
          Linear Algebra and its Applications, 61, pp. 233-251, 1984.

Further Comments

      None

Example

Program Text

    *     MB04PU/MB04WP EXAMPLE PROGRAM TEXT
    *
    *     .. Parameters ..
          DOUBLE PRECISION ZERO, ONE, TWO
          PARAMETER        ( ZERO = 0.0D0, ONE = 1.0D0, TWO = 2.0D0 )
          INTEGER          NIN, NOUT
          PARAMETER        ( NIN = 5, NOUT = 6 )
          INTEGER          NMAX
          PARAMETER        ( NMAX = 100 )
          INTEGER          LDA, LDQG, LDRES, LDU1, LDU2, LDWORK
          PARAMETER        ( LDA  = NMAX, LDQG = NMAX, LDRES  = NMAX,
         $                   LDU1 = NMAX, LDU2 = NMAX, LDWORK = 2*NMAX )
    *     .. Local Scalars ..
          INTEGER          I, INFO, J, N
    *     .. Local Arrays ..
          DOUBLE PRECISION A(LDA, NMAX), CS(2*NMAX), DWORK(LDWORK),
         $                 QG(LDQG, NMAX+1), RES(LDRES,3*NMAX+1), TAU(NMAX),
         $                 U1(LDU1,NMAX), U2(LDU2, NMAX)
    *     .. External Functions ..
          DOUBLE PRECISION MA02ID, MA02JD
          EXTERNAL         MA02ID, MA02JD
    *     .. External Subroutines ..
          EXTERNAL         DGEMM, DLACPY, DLASET, DSCAL, DSYMM, DSYR,
         $                 DSYR2K, DTRMM, MB04PU, MB04WP
    *     .. Executable Statements ..
          WRITE ( NOUT, FMT = 99999 )
    *     Skip the heading in the data file and read the data.
          READ ( NIN, FMT = '()' )
          READ ( NIN, FMT = * )  N
          IF( N.LE.0 .OR. N.GT.NMAX ) THEN
             WRITE ( NOUT, FMT = 99992 ) N
          ELSE
             READ ( NIN, FMT = * ) ( ( A(I,J), J = 1,N ), I = 1,N )
             CALL DLACPY( 'All', N, N, A, LDA, RES(1,N+1), LDRES )
             READ ( NIN, FMT = * ) ( ( QG(I,J), J = 1,N+1 ), I = 1,N )
             CALL DLACPY( 'All', N, N+1, QG, LDQG, RES(1,2*N+1), LDRES )
             CALL MB04PU( N, 1, A, LDA, QG, LDQG, CS, TAU, DWORK, LDWORK,
         $                INFO )
             INFO = 0
             IF ( INFO.NE.0 ) THEN
                WRITE ( NOUT, FMT = 99998 ) INFO
             ELSE
                CALL DLACPY( 'Lower', N, N, A, LDA, U1, LDU1 )
                CALL DLACPY( 'Lower', N, N, QG, LDQG, U2, LDU2 )
                CALL MB04WP( N, 1, U1, LDU1, U2, LDU2, CS, TAU, DWORK,
         $                   LDWORK, INFO )
                IF ( INFO.NE.0 ) THEN
                   WRITE ( NOUT, FMT = 99997 ) INFO
                ELSE
                   IF ( N.GT.2 )
         $            CALL DLASET( 'Lower', N-2, N-2, ZERO, ZERO, A(3,1),
         $                         LDA )
                   IF ( N.GT.1 )
         $            CALL DLASET( 'Lower', N-1, N-1, ZERO, ZERO, QG(2,1),
         $                         LDQG )
                   WRITE ( NOUT, FMT = 99996 )
                   DO 10  I = 1, N
                      WRITE (NOUT, FMT = 99993)
         $                  ( U1(I,J), J = 1,N ), ( U2(I,J), J = 1,N )
    10             CONTINUE
                   DO 20  I = 1, N
                      WRITE (NOUT, FMT = 99993)
         $                  ( -U2(I,J), J = 1,N ), ( U1(I,J), J = 1,N )
    20             CONTINUE
                   WRITE ( NOUT, FMT = 99991 ) MA02JD( .FALSE., .FALSE., N,
         $                 U1, LDU1, U2, LDU2, RES, LDRES )
                   WRITE ( NOUT, FMT = 99995 )
                   DO 30  I = 1, N
                      WRITE (NOUT, FMT = 99993) ( A(I,J), J = 1,N )
    30             CONTINUE
                   WRITE ( NOUT, FMT = 99994 )
                   DO 40  I = 1, N
                      WRITE (NOUT, FMT = 99993) ( QG(I,J), J = 1,N+1 )
    40             CONTINUE
    C
                   CALL DGEMM( 'No Transpose', 'No Transpose', N, N, N, ONE,
         $                     U1, LDU1, A, LDA, ZERO, RES, LDRES )
                   CALL DGEMM( 'No Transpose', 'Transpose', N, N, N, -ONE,
         $                     RES, LDRES, U1, LDU1, ONE, RES(1,N+1),
         $                     LDRES )
                   CALL DGEMM( 'No Transpose', 'Transpose', N, N, N, ONE,
         $                     U2, LDU2, A, LDA, ZERO, RES, LDRES )
                   CALL DGEMM( 'No Transpose', 'Transpose', N, N, N, ONE,
         $                     RES, LDRES, U2, LDU2, ONE, RES(1,N+1),
         $                     LDRES )
                   CALL DSYMM ( 'Right', 'Upper', N, N, ONE, QG(1,2), LDQG,
         $                      U1, LDU1, ZERO, RES, LDRES )
                   CALL DGEMM( 'No Transpose', 'Transpose', N, N, N, -ONE,
         $                     RES, LDRES, U2, LDU2, ONE, RES(1,N+1),
         $                     LDRES )
                   CALL DLACPY( 'All', N, N, U2, LDU2, RES, LDRES )
                   DO 50 I = 1, N
                       CALL DSCAL( N, QG(I,I), RES(1,I), 1 )
    50             CONTINUE
                   CALL DGEMM( 'No Transpose', 'Transpose', N, N, N, -ONE,
         $                     RES, LDRES, U1, LDU1, ONE, RES(1,N+1),
         $                     LDRES )
                   CALL DGEMM( 'No Transpose', 'No Transpose', N, N, N, ONE,
         $                     U2, LDU2, A, LDA, ZERO, RES, LDRES )
                   CALL DSYR2K( 'Lower', 'No Transpose', N, N, ONE, RES,
         $                      LDRES, U1, LDU1, ONE, RES(1,2*N+1), LDRES )
                   CALL DSCAL( N, ONE/TWO, QG(1,2), LDQG+1 )
                   CALL DLACPY( 'Full', N, N, U2, LDU2, RES, LDRES )
                   CALL DTRMM(  'Right', 'Upper' , 'No Transpose',
         $                      'Not unit', N, N, ONE, QG(1,2), LDQG,
         $                       RES, LDRES )
                   CALL DSYR2K( 'Lower', 'No Transpose', N, N, ONE, RES,
         $                      LDRES, U2, LDU2, ONE, RES(1,2*N+1), LDRES )
                   DO 60  I = 1, N
                      CALL DSYR( 'Lower', N, -QG(I,I), U1(1,I), 1,
         $                       RES(1,2*N+1), LDRES )
    60             CONTINUE
                   CALL DGEMM( 'No Transpose', 'No Transpose', N, N, N, ONE,
         $                     U1, LDU1, A, LDA, ZERO, RES, LDRES )
                   CALL DSYR2K( 'Upper', 'No Transpose', N, N, ONE, RES,
         $                      LDRES, U2, LDU2, ONE, RES(1,2*N+2), LDRES )
                   CALL DLACPY( 'Full', N, N, U1, LDU1, RES, LDRES )
                   CALL DTRMM(  'Right', 'Upper' , 'No Transpose',
         $                      'Not unit', N, N, ONE, QG(1,2), LDQG,
         $                       RES, LDRES )
                   CALL DSYR2K( 'Upper', 'No Transpose', N, N, -ONE, RES,
         $                      LDRES, U1, LDU1, ONE, RES(1,2*N+2), LDRES )
                   DO 70  I = 1, N
                      CALL DSYR( 'Upper', N, QG(I,I), U2(1,I), 1,
         $                       RES(1,2*N+2), LDRES )
    70             CONTINUE
    C
                   WRITE ( NOUT, FMT = 99990 )  MA02ID( 'Hamiltonian',
         $                'Frobenius', N, RES(1,N+1), LDRES, RES(1,2*N+1),
         $                LDRES, DWORK )
                END IF
             END IF
          END IF
    *
    99999 FORMAT (' TMB04PU EXAMPLE PROGRAM RESULTS',/1X)
    99998 FORMAT (' INFO on exit from MB04PU = ',I2)
    99997 FORMAT (' INFO on exit from MB04WP = ',I2)
    99996 FORMAT (' The symplectic orthogonal factor U is ')
    99995 FORMAT (/' The reduced matrix A is ')
    99994 FORMAT (/' The reduced matrix QG is ')
    99993 FORMAT (20(1X,F9.4))
    99992 FORMAT (/' N is out of range.',/' N = ',I5)
    99991 FORMAT (/' Orthogonality of U: || U''*U - I ||_F = ',G7.2)
    99990 FORMAT (/' Residual: || H - U*R*U'' ||_F = ',G7.2)
          END

Program Data

    MB04PU EXAMPLE PROGRAM DATA
            5
        0.9501    0.7621    0.6154    0.4057    0.0579
        0.2311    0.4565    0.7919    0.9355    0.3529
        0.6068    0.0185    0.9218    0.9169    0.8132
        0.4860    0.8214    0.7382    0.4103    0.0099
        0.8913    0.4447    0.1763    0.8936    0.1389
        0.4055    0.3869    1.3801    0.7993    1.2019    0.8780
        0.2140    1.4936    0.7567    1.7598    1.1956    0.9029
        1.0224    1.2913    1.0503    1.6433    0.9346    1.6565
        1.1103    0.9515    0.8839    0.7590    0.6824    1.1022
        0.7016    1.1755    1.1010    1.1364    0.3793    0.7408

Program Results

     TMB04PU EXAMPLE PROGRAM RESULTS

     The symplectic orthogonal factor U is
        1.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
        0.0000   -0.1119    0.7763   -0.2005   -0.0001    0.0000    0.1036   -0.2783   -0.2583    0.4356
        0.0000   -0.2937    0.2320    0.4014    0.5541    0.0000    0.4949    0.1187   -0.0294   -0.3632
        0.0000   -0.2352   -0.2243   -0.7056   -0.0500    0.0000    0.5374    0.3102   -0.0893    0.0318
        0.0000   -0.4314   -0.0354    0.2658   -0.6061    0.0000    0.3396   -0.3230    0.3931    0.0207
        0.0000    0.0000    0.0000    0.0000    0.0000    1.0000    0.0000    0.0000    0.0000    0.0000
        0.0000   -0.1036    0.2783    0.2583   -0.4356    0.0000   -0.1119    0.7763   -0.2005   -0.0001
        0.0000   -0.4949   -0.1187    0.0294    0.3632    0.0000   -0.2937    0.2320    0.4014    0.5541
        0.0000   -0.5374   -0.3102    0.0893   -0.0318    0.0000   -0.2352   -0.2243   -0.7056   -0.0500
        0.0000   -0.3396    0.3230   -0.3931   -0.0207    0.0000   -0.4314   -0.0354    0.2658   -0.6061

     Orthogonality of U: || U'*U - I ||_F = .16E-14

     The reduced matrix A is
        0.9501   -1.8690    0.8413   -0.0344   -0.0817
       -2.0660    2.7118   -1.6646    0.7606   -0.0285
        0.0000   -2.4884    0.4115   -0.4021    0.3964
        0.0000    0.0000   -0.5222    0.1767   -0.3081
        0.0000    0.0000    0.0000    0.1915   -0.3426

     The reduced matrix QG is
        0.4055    0.3869   -0.4295    0.9242   -0.7990   -0.0268
        0.0000   -3.0834   -2.5926    0.0804    0.1386   -0.1630
        0.0000    0.0000    1.3375    0.9618   -0.0263    0.1829
        0.0000    0.0000    0.0000   -0.3556    0.6662    0.2123
        0.0000    0.0000    0.0000    0.0000    0.1337   -0.8622

     Residual: || H - U*R*U' ||_F = .60E-14

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