File: template_lapack_ormqr.h

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/* Ergo, version 3.8.2, a program for linear scaling electronic structure
 * calculations.
 * Copyright (C) 2023 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek,
 * and Anastasia Kruchinina.
 * 
 * This program is free software: you can redistribute it and/or modify
 * it under the terms of the GNU General Public License as published by
 * the Free Software Foundation, either version 3 of the License, or
 * (at your option) any later version.
 * 
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU General Public License for more details.
 * 
 * You should have received a copy of the GNU General Public License
 * along with this program.  If not, see <http://www.gnu.org/licenses/>.
 * 
 * Primary academic reference:
 * Ergo: An open-source program for linear-scaling electronic structure
 * calculations,
 * Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, and Anastasia
 * Kruchinina,
 * SoftwareX 7, 107 (2018),
 * <http://dx.doi.org/10.1016/j.softx.2018.03.005>
 * 
 * For further information about Ergo, see <http://www.ergoscf.org>.
 */
 
 /* This file belongs to the template_lapack part of the Ergo source 
  * code. The source files in the template_lapack directory are modified
  * versions of files originally distributed as CLAPACK, see the
  * Copyright/license notice in the file template_lapack/COPYING.
  */
 

#ifndef TEMPLATE_LAPACK_ORMQR_HEADER
#define TEMPLATE_LAPACK_ORMQR_HEADER


template<class Treal>
int template_lapack_ormqr(char *side, char *trans, const integer *m, const integer *n, 
	const integer *k, Treal *a, const integer *lda, const Treal *tau, Treal *
	c__, const integer *ldc, Treal *work, const integer *lwork, integer *info)
{
/*  -- LAPACK routine (version 3.0) --   
       Univ. of Tennessee, Univ. of California Berkeley, NAG Ltd.,   
       Courant Institute, Argonne National Lab, and Rice University   
       June 30, 1999   


    Purpose   
    =======   

    DORMQR overwrites the general real M-by-N matrix C with   

                    SIDE = 'L'     SIDE = 'R'   
    TRANS = 'N':      Q * C          C * Q   
    TRANS = 'T':      Q**T * C       C * Q**T   

    where Q is a real orthogonal matrix defined as the product of k   
    elementary reflectors   

          Q = H(1) H(2) . . . H(k)   

    as returned by DGEQRF. Q is of order M if SIDE = 'L' and of order N   
    if SIDE = 'R'.   

    Arguments   
    =========   

    SIDE    (input) CHARACTER*1   
            = 'L': apply Q or Q**T from the Left;   
            = 'R': apply Q or Q**T from the Right.   

    TRANS   (input) CHARACTER*1   
            = 'N':  No transpose, apply Q;   
            = 'T':  Transpose, apply Q**T.   

    M       (input) INTEGER   
            The number of rows of the matrix C. M >= 0.   

    N       (input) INTEGER   
            The number of columns of the matrix C. N >= 0.   

    K       (input) INTEGER   
            The number of elementary reflectors whose product defines   
            the matrix Q.   
            If SIDE = 'L', M >= K >= 0;   
            if SIDE = 'R', N >= K >= 0.   

    A       (input) DOUBLE PRECISION array, dimension (LDA,K)   
            The i-th column must contain the vector which defines the   
            elementary reflector H(i), for i = 1,2,...,k, as returned by   
            DGEQRF in the first k columns of its array argument A.   
            A is modified by the routine but restored on exit.   

    LDA     (input) INTEGER   
            The leading dimension of the array A.   
            If SIDE = 'L', LDA >= max(1,M);   
            if SIDE = 'R', LDA >= max(1,N).   

    TAU     (input) DOUBLE PRECISION array, dimension (K)   
            TAU(i) must contain the scalar factor of the elementary   
            reflector H(i), as returned by DGEQRF.   

    C       (input/output) DOUBLE PRECISION array, dimension (LDC,N)   
            On entry, the M-by-N matrix C.   
            On exit, C is overwritten by Q*C or Q**T*C or C*Q**T or C*Q.   

    LDC     (input) INTEGER   
            The leading dimension of the array C. LDC >= max(1,M).   

    WORK    (workspace/output) DOUBLE PRECISION array, dimension (LWORK)   
            On exit, if INFO = 0, WORK(1) returns the optimal LWORK.   

    LWORK   (input) INTEGER   
            The dimension of the array WORK.   
            If SIDE = 'L', LWORK >= max(1,N);   
            if SIDE = 'R', LWORK >= max(1,M).   
            For optimum performance LWORK >= N*NB if SIDE = 'L', and   
            LWORK >= M*NB if SIDE = 'R', 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   

    =====================================================================   


       Test the input arguments   

       Parameter adjustments */
    /* Table of constant values */
     integer c__1 = 1;
     integer c_n1 = -1;
     integer c__2 = 2;
     integer c__65 = 65;
    
    /* System generated locals */
    address a__1[2];
    integer a_dim1, a_offset, c_dim1, c_offset, i__1, i__2, i__3[2], i__4, 
	    i__5;
    char ch__1[2];
    /* Local variables */
     logical left;
     integer i__;
     Treal t[4160]	/* was [65][64] */;
     integer nbmin, iinfo, i1, i2, i3;
     integer ib, ic, jc, nb, mi, ni;
     integer nq, nw;
     logical notran;
     integer ldwork, lwkopt;
     logical lquery;
     integer iws;
#define a_ref(a_1,a_2) a[(a_2)*a_dim1 + a_1]
#define c___ref(a_1,a_2) c__[(a_2)*c_dim1 + a_1]


    a_dim1 = *lda;
    a_offset = 1 + a_dim1 * 1;
    a -= a_offset;
    --tau;
    c_dim1 = *ldc;
    c_offset = 1 + c_dim1 * 1;
    c__ -= c_offset;
    --work;

    /* Initialization added by Elias to get rid of compiler warnings. */
    lwkopt = 0;
    nb = 0;
    /* Function Body */
    *info = 0;
    left = template_blas_lsame(side, "L");
    notran = template_blas_lsame(trans, "N");
    lquery = *lwork == -1;

/*     NQ is the order of Q and NW is the minimum dimension of WORK */

    if (left) {
	nq = *m;
	nw = *n;
    } else {
	nq = *n;
	nw = *m;
    }
    if (! left && ! template_blas_lsame(side, "R")) {
	*info = -1;
    } else if (! notran && ! template_blas_lsame(trans, "T")) {
	*info = -2;
    } else if (*m < 0) {
	*info = -3;
    } else if (*n < 0) {
	*info = -4;
    } else if (*k < 0 || *k > nq) {
	*info = -5;
    } else if (*lda < maxMACRO(1,nq)) {
	*info = -7;
    } else if (*ldc < maxMACRO(1,*m)) {
	*info = -10;
    } else if (*lwork < maxMACRO(1,nw) && ! lquery) {
	*info = -12;
    }

    if (*info == 0) {

/*        Determine the block size.  NB may be at most NBMAX, where NBMAX   
          is used to define the local array T.   

   Computing MIN   
   Writing concatenation */
	i__3[0] = 1, a__1[0] = side;
	i__3[1] = 1, a__1[1] = trans;
	template_blas_s_cat(ch__1, a__1, i__3, &c__2, (ftnlen)2);
	i__1 = 64, i__2 = template_lapack_ilaenv(&c__1, "DORMQR", ch__1, m, n, k, &c_n1, (
		ftnlen)6, (ftnlen)2);
	nb = minMACRO(i__1,i__2);
	lwkopt = maxMACRO(1,nw) * nb;
	work[1] = (Treal) lwkopt;
    }

    if (*info != 0) {
	i__1 = -(*info);
	template_blas_erbla("ORMQR ", &i__1);
	return 0;
    } else if (lquery) {
	return 0;
    }

/*     Quick return if possible */

    if (*m == 0 || *n == 0 || *k == 0) {
	work[1] = 1.;
	return 0;
    }

    nbmin = 2;
    ldwork = nw;
    if (nb > 1 && nb < *k) {
	iws = nw * nb;
	if (*lwork < iws) {
	    nb = *lwork / ldwork;
/* Computing MAX   
   Writing concatenation */
	    i__3[0] = 1, a__1[0] = side;
	    i__3[1] = 1, a__1[1] = trans;
	    template_blas_s_cat(ch__1, a__1, i__3, &c__2, (ftnlen)2);
	    i__1 = 2, i__2 = template_lapack_ilaenv(&c__2, "DORMQR", ch__1, m, n, k, &c_n1, (
		    ftnlen)6, (ftnlen)2);
	    nbmin = maxMACRO(i__1,i__2);
	}
    } else {
	iws = nw;
    }

    if (nb < nbmin || nb >= *k) {

/*        Use unblocked code */

	template_lapack_orm2r(side, trans, m, n, k, &a[a_offset], lda, &tau[1], &c__[
		c_offset], ldc, &work[1], &iinfo);
    } else {

/*        Use blocked code */

      if ( ( left && ! notran ) || ( ! left && notran ) ) {
	    i1 = 1;
	    i2 = *k;
	    i3 = nb;
	} else {
	    i1 = (*k - 1) / nb * nb + 1;
	    i2 = 1;
	    i3 = -nb;
	}

	if (left) {
	    ni = *n;
	    jc = 1;
	} else {
	    mi = *m;
	    ic = 1;
	}

	i__1 = i2;
	i__2 = i3;
	for (i__ = i1; i__2 < 0 ? i__ >= i__1 : i__ <= i__1; i__ += i__2) {
/* Computing MIN */
	    i__4 = nb, i__5 = *k - i__ + 1;
	    ib = minMACRO(i__4,i__5);

/*           Form the triangular factor of the block reflector   
             H = H(i) H(i+1) . . . H(i+ib-1) */

	    i__4 = nq - i__ + 1;
	    template_lapack_larft("Forward", "Columnwise", &i__4, &ib, &a_ref(i__, i__), 
		    lda, &tau[i__], t, &c__65);
	    if (left) {

/*              H or H' is applied to C(i:m,1:n) */

		mi = *m - i__ + 1;
		ic = i__;
	    } else {

/*              H or H' is applied to C(1:m,i:n) */

		ni = *n - i__ + 1;
		jc = i__;
	    }

/*           Apply H or H' */

	    template_lapack_larfb(side, trans, "Forward", "Columnwise", &mi, &ni, &ib, &
		    a_ref(i__, i__), lda, t, &c__65, &c___ref(ic, jc), ldc, &
		    work[1], &ldwork);
/* L10: */
	}
    }
    work[1] = (Treal) lwkopt;
    return 0;

/*     End of DORMQR */

} /* dormqr_ */

#undef c___ref
#undef a_ref


#endif