Chimie Théorique » Opt'n Path

      SUBROUTINE DGEQP3( M, N, A, LDA, JPVT, TAU, WORK, LWORK, INFO )

*

*  -- LAPACK routine (version 3.2) --

*  -- LAPACK is a software package provided by Univ. of Tennessee,    --

*  -- Univ. of California Berkeley, Univ. of Colorado Denver and NAG Ltd..--

*     November 2006

*

*     .. Scalar Arguments ..

      INTEGER            INFO, LDA, LWORK, M, N

*     ..

*     .. Array Arguments ..

      INTEGER            JPVT( * )

      DOUBLE PRECISION   A( LDA, * ), TAU( * ), WORK( * )

*     ..

*

*  Purpose

*  =======

*

*  DGEQP3 computes a QR factorization with column pivoting of a

*  matrix A:  A*P = Q*R  using Level 3 BLAS.

*

*  Arguments

*  =========

*

*  M       (input) INTEGER

*          The number of rows of the matrix A. M >= 0.

*

*  N       (input) INTEGER

*          The number of columns of the matrix A.  N >= 0.

*

*  A       (input/output) DOUBLE PRECISION array, dimension (LDA,N)

*          On entry, the M-by-N matrix A.

*          On exit, the upper triangle of the array contains the

*          min(M,N)-by-N upper trapezoidal matrix R; the elements below

*          the diagonal, together with the array TAU, represent the

*          orthogonal matrix Q as a product of min(M,N) elementary

*          reflectors.

*

*  LDA     (input) INTEGER

*          The leading dimension of the array A. LDA >= max(1,M).

*

*  JPVT    (input/output) INTEGER array, dimension (N)

*          On entry, if JPVT(J).ne.0, the J-th column of A is permuted

*          to the front of A*P (a leading column); if JPVT(J)=0,

*          the J-th column of A is a free column.

*          On exit, if JPVT(J)=K, then the J-th column of A*P was the

*          the K-th column of A.

*

*  TAU     (output) DOUBLE PRECISION array, dimension (min(M,N))

*          The scalar factors of the elementary reflectors.

*

*  WORK    (workspace/output) DOUBLE PRECISION array, dimension (MAX(1,LWORK))

*          On exit, if INFO=0, WORK(1) returns the optimal LWORK.

*

*  LWORK   (input) INTEGER

*          The dimension of the array WORK. LWORK >= 3*N+1.

*          For optimal performance LWORK >= 2*N+( N+1 )*NB, where NB

*          is the optimal blocksize.

*

*          If LWORK = -1, then a workspace query is assumed; the routine

*          only calculates the optimal size of the WORK array, returns

*          this value as the first entry of the WORK array, and no error

*          message related to LWORK is issued by XERBLA.

*

*  INFO    (output) INTEGER

*          = 0: successful exit.

*          < 0: if INFO = -i, the i-th argument had an illegal value.

*

*  Further Details

*  ===============

*

*  The matrix Q is represented as a product of elementary reflectors

*

*     Q = H(1) H(2) . . . H(k), where k = min(m,n).

*

*  Each H(i) has the form

*

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

*

*  where tau is a real/complex scalar, and v is a real/complex vector

*  with v(1:i-1) = 0 and v(i) = 1; v(i+1:m) is stored on exit in

*  A(i+1:m,i), and tau in TAU(i).

*

*  Based on contributions by

*    G. Quintana-Orti, Depto. de Informatica, Universidad Jaime I, Spain

*    X. Sun, Computer Science Dept., Duke University, USA

*

*  =====================================================================

*

*     .. Parameters ..

      INTEGER            INB, INBMIN, IXOVER

      PARAMETER          ( INB = 1, INBMIN = 2, IXOVER = 3 )

*     ..

*     .. Local Scalars ..

      LOGICAL            LQUERY

      INTEGER            FJB, IWS, J, JB, LWKOPT, MINMN, MINWS, NA, NB,

     $                   NBMIN, NFXD, NX, SM, SMINMN, SN, TOPBMN

*     ..

*     .. External Subroutines ..

      EXTERNAL           DGEQRF, DLAQP2, DLAQPS, DORMQR, DSWAP, XERBLA

*     ..

*     .. External Functions ..

      INTEGER            ILAENV

      DOUBLE PRECISION   DNRM2

      EXTERNAL           ILAENV, DNRM2

*     ..

*     .. Intrinsic Functions ..

      INTRINSIC          INT, MAX, MIN

*     ..

*     .. Executable Statements ..

*

*     Test input arguments

*     ====================

*

      INFO = 0

      LQUERY = ( LWORK.EQ.-1 )

      IF( M.LT.0 ) THEN

         INFO = -1

      ELSE IF( N.LT.0 ) THEN

         INFO = -2

      ELSE IF( LDA.LT.MAX( 1, M ) ) THEN

         INFO = -4

      END IF

*

      IF( INFO.EQ.0 ) THEN

         MINMN = MIN( M, N )

         IF( MINMN.EQ.0 ) THEN

            IWS = 1

            LWKOPT = 1

         ELSE

            IWS = 3*N + 1

            NB = ILAENV( INB, 'DGEQRF', ' ', M, N, -1, -1 )

            LWKOPT = 2*N + ( N + 1 )*NB

         END IF

         WORK( 1 ) = LWKOPT

*

         IF( ( LWORK.LT.IWS ) .AND. .NOT.LQUERY ) THEN

            INFO = -8

         END IF

      END IF

*

      IF( INFO.NE.0 ) THEN

         CALL XERBLA( 'DGEQP3', -INFO )

         RETURN

      ELSE IF( LQUERY ) THEN

         RETURN

      END IF

*

*     Quick return if possible.

*

      IF( MINMN.EQ.0 ) THEN

         RETURN

      END IF

*

*     Move initial columns up front.

*

      NFXD = 1

      DO 10 J = 1, N

         IF( JPVT( J ).NE.0 ) THEN

            IF( J.NE.NFXD ) THEN

               CALL DSWAP( M, A( 1, J ), 1, A( 1, NFXD ), 1 )

               JPVT( J ) = JPVT( NFXD )

               JPVT( NFXD ) = J

            ELSE

               JPVT( J ) = J

            END IF

            NFXD = NFXD + 1

         ELSE

            JPVT( J ) = J

         END IF

   10 CONTINUE

      NFXD = NFXD - 1

*

*     Factorize fixed columns

*     =======================

*

*     Compute the QR factorization of fixed columns and update

*     remaining columns.

*

      IF( NFXD.GT.0 ) THEN

         NA = MIN( M, NFXD )

*CC      CALL DGEQR2( M, NA, A, LDA, TAU, WORK, INFO )

         CALL DGEQRF( M, NA, A, LDA, TAU, WORK, LWORK, INFO )

         IWS = MAX( IWS, INT( WORK( 1 ) ) )

         IF( NA.LT.N ) THEN

*CC         CALL DORM2R( 'Left', 'Transpose', M, N-NA, NA, A, LDA,

*CC  $                   TAU, A( 1, NA+1 ), LDA, WORK, INFO )

            CALL DORMQR( 'Left', 'Transpose', M, N-NA, NA, A, LDA, TAU,

     $                   A( 1, NA+1 ), LDA, WORK, LWORK, INFO )

            IWS = MAX( IWS, INT( WORK( 1 ) ) )

         END IF

      END IF

*

*     Factorize free columns

*     ======================

*

      IF( NFXD.LT.MINMN ) THEN

*

         SM = M - NFXD

         SN = N - NFXD

         SMINMN = MINMN - NFXD

*

*        Determine the block size.

*

         NB = ILAENV( INB, 'DGEQRF', ' ', SM, SN, -1, -1 )

         NBMIN = 2

         NX = 0

*

         IF( ( NB.GT.1 ) .AND. ( NB.LT.SMINMN ) ) THEN

*

*           Determine when to cross over from blocked to unblocked code.

*

            NX = MAX( 0, ILAENV( IXOVER, 'DGEQRF', ' ', SM, SN, -1,

     $           -1 ) )

*

*

            IF( NX.LT.SMINMN ) THEN

*

*              Determine if workspace is large enough for blocked code.

*

               MINWS = 2*SN + ( SN+1 )*NB

               IWS = MAX( IWS, MINWS )

               IF( LWORK.LT.MINWS ) THEN

*

*                 Not enough workspace to use optimal NB: Reduce NB and

*                 determine the minimum value of NB.

*

                  NB = ( LWORK-2*SN ) / ( SN+1 )

                  NBMIN = MAX( 2, ILAENV( INBMIN, 'DGEQRF', ' ', SM, SN,

     $                    -1, -1 ) )

*

*

               END IF

            END IF

         END IF

*

*        Initialize partial column norms. The first N elements of work

*        store the exact column norms.

*

         DO 20 J = NFXD + 1, N

            WORK( J ) = DNRM2( SM, A( NFXD+1, J ), 1 )

            WORK( N+J ) = WORK( J )

   20    CONTINUE

*

         IF( ( NB.GE.NBMIN ) .AND. ( NB.LT.SMINMN ) .AND.

     $       ( NX.LT.SMINMN ) ) THEN

*

*           Use blocked code initially.

*

            J = NFXD + 1

*

*           Compute factorization: while loop.

*

*

            TOPBMN = MINMN - NX

   30       CONTINUE

            IF( J.LE.TOPBMN ) THEN

               JB = MIN( NB, TOPBMN-J+1 )

*

*              Factorize JB columns among columns J:N.

*

               CALL DLAQPS( M, N-J+1, J-1, JB, FJB, A( 1, J ), LDA,

     $                      JPVT( J ), TAU( J ), WORK( J ), WORK( N+J ),

     $                      WORK( 2*N+1 ), WORK( 2*N+JB+1 ), N-J+1 )

*

               J = J + FJB

               GO TO 30

            END IF

         ELSE

            J = NFXD + 1

         END IF

*

*        Use unblocked code to factor the last or only block.

*

*

         IF( J.LE.MINMN )

     $      CALL DLAQP2( M, N-J+1, J-1, A( 1, J ), LDA, JPVT( J ),

     $                   TAU( J ), WORK( J ), WORK( N+J ),

     $                   WORK( 2*N+1 ) )

*

      END IF

*

      WORK( 1 ) = IWS

      RETURN

*

*     End of DGEQP3

*

      END