2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2012, by the GROMACS development team, led by
5 * David van der Spoel, Berk Hess, Erik Lindahl, and including many
6 * others, as listed in the AUTHORS file in the top-level source
7 * directory and at http://www.gromacs.org.
9 * GROMACS is free software; you can redistribute it and/or
10 * modify it under the terms of the GNU Lesser General Public License
11 * as published by the Free Software Foundation; either version 2.1
12 * of the License, or (at your option) any later version.
14 * GROMACS is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
17 * Lesser General Public License for more details.
19 * You should have received a copy of the GNU Lesser General Public
20 * License along with GROMACS; if not, see
21 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 * If you want to redistribute modifications to GROMACS, please
25 * consider that scientific software is very special. Version
26 * control is crucial - bugs must be traceable. We will be happy to
27 * consider code for inclusion in the official distribution, but
28 * derived work must not be called official GROMACS. Details are found
29 * in the README & COPYING files - if they are missing, get the
30 * official version at http://www.gromacs.org.
32 * To help us fund GROMACS development, we humbly ask that you cite
33 * the research papers on the package. Check out http://www.gromacs.org.
35 #include "gmx_lapack.h"
37 #include "lapack_limits.h"
41 F77_FUNC(dgebrd,DGEBRD)(int *m,
53 /* System generated locals */
54 int a_dim1, a_offset, i_1, i_2, i_3, i_4;
59 int nbmin, iinfo, minmn;
62 double minusone = -1.0;
65 a_offset = 1 + a_dim1;
73 nb = DGEBRD_BLOCKSIZE;
76 work[1] = (double) ( (*m + *n) * nb);
79 minmn = (*m < *n) ? *m : *n;
85 ws = (*m > *n) ? *m : *n;
89 if (nb > 1 && nb < minmn) {
90 nx = DGEBRD_CROSSOVER;
92 ws = (double) ((*m + *n) * nb);
93 if ((double) (*lwork) < ws) {
94 nbmin = DGEBRD_MINBLOCKSIZE;
95 if (*lwork >= (*m + *n) * nbmin) {
96 nb = *lwork / (*m + *n);
109 for (i_ = 1; i_2 < 0 ? i_ >= i_1 : i_ <= i_1; i_ += i_2) {
113 F77_FUNC(dlabrd,DLABRD)(&i_3, &i_4, &nb, &a[i_ + i_ * a_dim1], lda, &d__[i_],
114 &e[i_], &tauq[i_], &taup[i_], &work[1], &ldwrkx,
115 &work[ldwrkx * nb + 1], &ldwrky);
117 i_3 = *m - i_ - nb + 1;
118 i_4 = *n - i_ - nb + 1;
119 F77_FUNC(dgemm,DGEMM)("N", "T", &i_3, &i_4, &nb, &minusone,
120 &a[i_ + nb + i_ * a_dim1], lda, &work[ldwrkx * nb + nb + 1],
121 &ldwrky, &one, &a[i_ + nb + (i_ + nb) * a_dim1], lda);
122 i_3 = *m - i_ - nb + 1;
123 i_4 = *n - i_ - nb + 1;
124 F77_FUNC(dgemm,DGEMM)("N", "N", &i_3, &i_4, &nb, &minusone, &work[nb + 1], &ldwrkx,
125 &a[i_ + (i_ + nb) * a_dim1], lda, &one,
126 &a[i_ + nb + (i_ + nb) * a_dim1], lda);
130 for (j = i_; j <= i_3; ++j) {
131 a[j + j * a_dim1] = d__[j];
132 a[j + (j + 1) * a_dim1] = e[j];
136 for (j = i_; j <= i_3; ++j) {
137 a[j + j * a_dim1] = d__[j];
138 a[j + 1 + j * a_dim1] = e[j];
145 F77_FUNC(dgebd2,DGEBD2)(&i_2, &i_1, &a[i_ + i_ * a_dim1], lda, &d__[i_], &e[i_], &
146 tauq[i_], &taup[i_], &work[1], &iinfo);