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lammps/lib/linalg/dgelsd.cpp

340 lines
16 KiB
C++

#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
static integer c__6 = 6;
static integer c_n1 = -1;
static integer c__9 = 9;
static integer c__0 = 0;
static integer c__1 = 1;
static doublereal c_b82 = 0.;
int dgelsd_(integer *m, integer *n, integer *nrhs, doublereal *a, integer *lda, doublereal *b,
integer *ldb, doublereal *s, doublereal *rcond, integer *rank, doublereal *work,
integer *lwork, integer *iwork, integer *info)
{
integer a_dim1, a_offset, b_dim1, b_offset, i__1, i__2, i__3, i__4;
double log(doublereal);
integer ie, il, mm;
doublereal eps, anrm, bnrm;
integer itau, nlvl, iascl, ibscl;
doublereal sfmin;
integer minmn, maxmn, itaup, itauq, mnthr, nwork;
extern int dgebrd_(integer *, integer *, doublereal *, integer *, doublereal *, doublereal *,
doublereal *, doublereal *, doublereal *, integer *, integer *);
extern doublereal dlamch_(char *, ftnlen),
dlange_(char *, integer *, integer *, doublereal *, integer *, doublereal *, ftnlen);
extern int dgelqf_(integer *, integer *, doublereal *, integer *, doublereal *, doublereal *,
integer *, integer *),
dlalsd_(char *, integer *, integer *, integer *, doublereal *, doublereal *, doublereal *,
integer *, doublereal *, integer *, doublereal *, integer *, integer *, ftnlen),
dlascl_(char *, integer *, integer *, doublereal *, doublereal *, integer *, integer *,
doublereal *, integer *, integer *, ftnlen),
dgeqrf_(integer *, integer *, doublereal *, integer *, doublereal *, doublereal *,
integer *, integer *),
dlacpy_(char *, integer *, integer *, doublereal *, integer *, doublereal *, integer *,
ftnlen),
dlaset_(char *, integer *, integer *, doublereal *, doublereal *, doublereal *, integer *,
ftnlen),
xerbla_(char *, integer *, ftnlen);
extern integer ilaenv_(integer *, char *, char *, integer *, integer *, integer *, integer *,
ftnlen, ftnlen);
doublereal bignum;
extern int dormbr_(char *, char *, char *, integer *, integer *, integer *, doublereal *,
integer *, doublereal *, doublereal *, integer *, doublereal *, integer *,
integer *, ftnlen, ftnlen, ftnlen);
integer wlalsd;
extern int dormlq_(char *, char *, integer *, integer *, integer *, doublereal *, integer *,
doublereal *, doublereal *, integer *, doublereal *, integer *, integer *,
ftnlen, ftnlen);
integer ldwork;
extern int dormqr_(char *, char *, integer *, integer *, integer *, doublereal *, integer *,
doublereal *, doublereal *, integer *, doublereal *, integer *, integer *,
ftnlen, ftnlen);
integer liwork, minwrk, maxwrk;
doublereal smlnum;
logical lquery;
integer smlsiz;
a_dim1 = *lda;
a_offset = 1 + a_dim1;
a -= a_offset;
b_dim1 = *ldb;
b_offset = 1 + b_dim1;
b -= b_offset;
--s;
--work;
--iwork;
*info = 0;
minmn = min(*m, *n);
maxmn = max(*m, *n);
mnthr = ilaenv_(&c__6, (char *)"DGELSD", (char *)" ", m, n, nrhs, &c_n1, (ftnlen)6, (ftnlen)1);
lquery = *lwork == -1;
if (*m < 0) {
*info = -1;
} else if (*n < 0) {
*info = -2;
} else if (*nrhs < 0) {
*info = -3;
} else if (*lda < max(1, *m)) {
*info = -5;
} else if (*ldb < max(1, maxmn)) {
*info = -7;
}
smlsiz = ilaenv_(&c__9, (char *)"DGELSD", (char *)" ", &c__0, &c__0, &c__0, &c__0, (ftnlen)6, (ftnlen)1);
minwrk = 1;
liwork = 1;
minmn = max(1, minmn);
i__1 = (integer)(log((doublereal)minmn / (doublereal)(smlsiz + 1)) / log(2.)) + 1;
nlvl = max(i__1, 0);
if (*info == 0) {
maxwrk = 1;
liwork = minmn * 3 * nlvl + minmn * 11;
mm = *m;
if (*m >= *n && *m >= mnthr) {
mm = *n;
i__1 = maxwrk, i__2 = *n + *n * ilaenv_(&c__1, (char *)"DGEQRF", (char *)" ", m, n, &c_n1, &c_n1,
(ftnlen)6, (ftnlen)1);
maxwrk = max(i__1, i__2);
i__1 = maxwrk, i__2 = *n + *nrhs * ilaenv_(&c__1, (char *)"DORMQR", (char *)"LT", m, nrhs, n, &c_n1,
(ftnlen)6, (ftnlen)2);
maxwrk = max(i__1, i__2);
}
if (*m >= *n) {
i__1 = maxwrk, i__2 = *n * 3 + (mm + *n) * ilaenv_(&c__1, (char *)"DGEBRD", (char *)" ", &mm, n, &c_n1,
&c_n1, (ftnlen)6, (ftnlen)1);
maxwrk = max(i__1, i__2);
i__1 = maxwrk, i__2 = *n * 3 + *nrhs * ilaenv_(&c__1, (char *)"DORMBR", (char *)"QLT", &mm, nrhs, n,
&c_n1, (ftnlen)6, (ftnlen)3);
maxwrk = max(i__1, i__2);
i__1 = maxwrk, i__2 = *n * 3 + (*n - 1) * ilaenv_(&c__1, (char *)"DORMBR", (char *)"PLN", n, nrhs, n,
&c_n1, (ftnlen)6, (ftnlen)3);
maxwrk = max(i__1, i__2);
i__1 = smlsiz + 1;
wlalsd = *n * 9 + (*n << 1) * smlsiz + (*n << 3) * nlvl + *n * *nrhs + i__1 * i__1;
i__1 = maxwrk, i__2 = *n * 3 + wlalsd;
maxwrk = max(i__1, i__2);
i__1 = *n * 3 + mm, i__2 = *n * 3 + *nrhs, i__1 = max(i__1, i__2),
i__2 = *n * 3 + wlalsd;
minwrk = max(i__1, i__2);
}
if (*n > *m) {
i__1 = smlsiz + 1;
wlalsd = *m * 9 + (*m << 1) * smlsiz + (*m << 3) * nlvl + *m * *nrhs + i__1 * i__1;
if (*n >= mnthr) {
maxwrk = *m + *m * ilaenv_(&c__1, (char *)"DGELQF", (char *)" ", m, n, &c_n1, &c_n1, (ftnlen)6,
(ftnlen)1);
i__1 = maxwrk, i__2 = *m * *m + (*m << 2) +
(*m << 1) * ilaenv_(&c__1, (char *)"DGEBRD", (char *)" ", m, m, &c_n1, &c_n1,
(ftnlen)6, (ftnlen)1);
maxwrk = max(i__1, i__2);
i__1 = maxwrk, i__2 = *m * *m + (*m << 2) +
*nrhs * ilaenv_(&c__1, (char *)"DORMBR", (char *)"QLT", m, nrhs, m, &c_n1,
(ftnlen)6, (ftnlen)3);
maxwrk = max(i__1, i__2);
i__1 = maxwrk, i__2 = *m * *m + (*m << 2) +
(*m - 1) * ilaenv_(&c__1, (char *)"DORMBR", (char *)"PLN", m, nrhs, m, &c_n1,
(ftnlen)6, (ftnlen)3);
maxwrk = max(i__1, i__2);
if (*nrhs > 1) {
i__1 = maxwrk, i__2 = *m * *m + *m + *m * *nrhs;
maxwrk = max(i__1, i__2);
} else {
i__1 = maxwrk, i__2 = *m * *m + (*m << 1);
maxwrk = max(i__1, i__2);
}
i__1 = maxwrk, i__2 = *m + *nrhs * ilaenv_(&c__1, (char *)"DORMLQ", (char *)"LT", n, nrhs, m, &c_n1,
(ftnlen)6, (ftnlen)2);
maxwrk = max(i__1, i__2);
i__1 = maxwrk, i__2 = *m * *m + (*m << 2) + wlalsd;
maxwrk = max(i__1, i__2);
i__3 = *m, i__4 = (*m << 1) - 4, i__3 = max(i__3, i__4), i__3 = max(i__3, *nrhs),
i__4 = *n - *m * 3;
i__1 = maxwrk, i__2 = (*m << 2) + *m * *m + max(i__3, i__4);
maxwrk = max(i__1, i__2);
} else {
maxwrk = *m * 3 + (*n + *m) * ilaenv_(&c__1, (char *)"DGEBRD", (char *)" ", m, n, &c_n1, &c_n1,
(ftnlen)6, (ftnlen)1);
i__1 = maxwrk, i__2 = *m * 3 + *nrhs * ilaenv_(&c__1, (char *)"DORMBR", (char *)"QLT", m, nrhs, n,
&c_n1, (ftnlen)6, (ftnlen)3);
maxwrk = max(i__1, i__2);
i__1 = maxwrk, i__2 = *m * 3 + *m * ilaenv_(&c__1, (char *)"DORMBR", (char *)"PLN", n, nrhs, m,
&c_n1, (ftnlen)6, (ftnlen)3);
maxwrk = max(i__1, i__2);
i__1 = maxwrk, i__2 = *m * 3 + wlalsd;
maxwrk = max(i__1, i__2);
}
i__1 = *m * 3 + *nrhs, i__2 = *m * 3 + *m, i__1 = max(i__1, i__2),
i__2 = *m * 3 + wlalsd;
minwrk = max(i__1, i__2);
}
minwrk = min(minwrk, maxwrk);
work[1] = (doublereal)maxwrk;
iwork[1] = liwork;
if (*lwork < minwrk && !lquery) {
*info = -12;
}
}
if (*info != 0) {
i__1 = -(*info);
xerbla_((char *)"DGELSD", &i__1, (ftnlen)6);
return 0;
} else if (lquery) {
goto L10;
}
if (*m == 0 || *n == 0) {
*rank = 0;
return 0;
}
eps = dlamch_((char *)"P", (ftnlen)1);
sfmin = dlamch_((char *)"S", (ftnlen)1);
smlnum = sfmin / eps;
bignum = 1. / smlnum;
anrm = dlange_((char *)"M", m, n, &a[a_offset], lda, &work[1], (ftnlen)1);
iascl = 0;
if (anrm > 0. && anrm < smlnum) {
dlascl_((char *)"G", &c__0, &c__0, &anrm, &smlnum, m, n, &a[a_offset], lda, info, (ftnlen)1);
iascl = 1;
} else if (anrm > bignum) {
dlascl_((char *)"G", &c__0, &c__0, &anrm, &bignum, m, n, &a[a_offset], lda, info, (ftnlen)1);
iascl = 2;
} else if (anrm == 0.) {
i__1 = max(*m, *n);
dlaset_((char *)"F", &i__1, nrhs, &c_b82, &c_b82, &b[b_offset], ldb, (ftnlen)1);
dlaset_((char *)"F", &minmn, &c__1, &c_b82, &c_b82, &s[1], &c__1, (ftnlen)1);
*rank = 0;
goto L10;
}
bnrm = dlange_((char *)"M", m, nrhs, &b[b_offset], ldb, &work[1], (ftnlen)1);
ibscl = 0;
if (bnrm > 0. && bnrm < smlnum) {
dlascl_((char *)"G", &c__0, &c__0, &bnrm, &smlnum, m, nrhs, &b[b_offset], ldb, info, (ftnlen)1);
ibscl = 1;
} else if (bnrm > bignum) {
dlascl_((char *)"G", &c__0, &c__0, &bnrm, &bignum, m, nrhs, &b[b_offset], ldb, info, (ftnlen)1);
ibscl = 2;
}
if (*m < *n) {
i__1 = *n - *m;
dlaset_((char *)"F", &i__1, nrhs, &c_b82, &c_b82, &b[*m + 1 + b_dim1], ldb, (ftnlen)1);
}
if (*m >= *n) {
mm = *m;
if (*m >= mnthr) {
mm = *n;
itau = 1;
nwork = itau + *n;
i__1 = *lwork - nwork + 1;
dgeqrf_(m, n, &a[a_offset], lda, &work[itau], &work[nwork], &i__1, info);
i__1 = *lwork - nwork + 1;
dormqr_((char *)"L", (char *)"T", m, nrhs, n, &a[a_offset], lda, &work[itau], &b[b_offset], ldb,
&work[nwork], &i__1, info, (ftnlen)1, (ftnlen)1);
if (*n > 1) {
i__1 = *n - 1;
i__2 = *n - 1;
dlaset_((char *)"L", &i__1, &i__2, &c_b82, &c_b82, &a[a_dim1 + 2], lda, (ftnlen)1);
}
}
ie = 1;
itauq = ie + *n;
itaup = itauq + *n;
nwork = itaup + *n;
i__1 = *lwork - nwork + 1;
dgebrd_(&mm, n, &a[a_offset], lda, &s[1], &work[ie], &work[itauq], &work[itaup],
&work[nwork], &i__1, info);
i__1 = *lwork - nwork + 1;
dormbr_((char *)"Q", (char *)"L", (char *)"T", &mm, nrhs, n, &a[a_offset], lda, &work[itauq], &b[b_offset], ldb,
&work[nwork], &i__1, info, (ftnlen)1, (ftnlen)1, (ftnlen)1);
dlalsd_((char *)"U", &smlsiz, n, nrhs, &s[1], &work[ie], &b[b_offset], ldb, rcond, rank,
&work[nwork], &iwork[1], info, (ftnlen)1);
if (*info != 0) {
goto L10;
}
i__1 = *lwork - nwork + 1;
dormbr_((char *)"P", (char *)"L", (char *)"N", n, nrhs, n, &a[a_offset], lda, &work[itaup], &b[b_offset], ldb,
&work[nwork], &i__1, info, (ftnlen)1, (ftnlen)1, (ftnlen)1);
} else {
i__1 = *m, i__2 = (*m << 1) - 4, i__1 = max(i__1, i__2), i__1 = max(i__1, *nrhs),
i__2 = *n - *m * 3, i__1 = max(i__1, i__2);
if (*n >= mnthr && *lwork >= (*m << 2) + *m * *m + max(i__1, wlalsd)) {
ldwork = *m;
i__3 = *m, i__4 = (*m << 1) - 4, i__3 = max(i__3, i__4), i__3 = max(i__3, *nrhs),
i__4 = *n - *m * 3;
i__1 = (*m << 2) + *m * *lda + max(i__3, i__4), i__2 = *m * *lda + *m + *m * *nrhs,
i__1 = max(i__1, i__2), i__2 = (*m << 2) + *m * *lda + wlalsd;
if (*lwork >= max(i__1, i__2)) {
ldwork = *lda;
}
itau = 1;
nwork = *m + 1;
i__1 = *lwork - nwork + 1;
dgelqf_(m, n, &a[a_offset], lda, &work[itau], &work[nwork], &i__1, info);
il = nwork;
dlacpy_((char *)"L", m, m, &a[a_offset], lda, &work[il], &ldwork, (ftnlen)1);
i__1 = *m - 1;
i__2 = *m - 1;
dlaset_((char *)"U", &i__1, &i__2, &c_b82, &c_b82, &work[il + ldwork], &ldwork, (ftnlen)1);
ie = il + ldwork * *m;
itauq = ie + *m;
itaup = itauq + *m;
nwork = itaup + *m;
i__1 = *lwork - nwork + 1;
dgebrd_(m, m, &work[il], &ldwork, &s[1], &work[ie], &work[itauq], &work[itaup],
&work[nwork], &i__1, info);
i__1 = *lwork - nwork + 1;
dormbr_((char *)"Q", (char *)"L", (char *)"T", m, nrhs, m, &work[il], &ldwork, &work[itauq], &b[b_offset], ldb,
&work[nwork], &i__1, info, (ftnlen)1, (ftnlen)1, (ftnlen)1);
dlalsd_((char *)"U", &smlsiz, m, nrhs, &s[1], &work[ie], &b[b_offset], ldb, rcond, rank,
&work[nwork], &iwork[1], info, (ftnlen)1);
if (*info != 0) {
goto L10;
}
i__1 = *lwork - nwork + 1;
dormbr_((char *)"P", (char *)"L", (char *)"N", m, nrhs, m, &work[il], &ldwork, &work[itaup], &b[b_offset], ldb,
&work[nwork], &i__1, info, (ftnlen)1, (ftnlen)1, (ftnlen)1);
i__1 = *n - *m;
dlaset_((char *)"F", &i__1, nrhs, &c_b82, &c_b82, &b[*m + 1 + b_dim1], ldb, (ftnlen)1);
nwork = itau + *m;
i__1 = *lwork - nwork + 1;
dormlq_((char *)"L", (char *)"T", n, nrhs, m, &a[a_offset], lda, &work[itau], &b[b_offset], ldb,
&work[nwork], &i__1, info, (ftnlen)1, (ftnlen)1);
} else {
ie = 1;
itauq = ie + *m;
itaup = itauq + *m;
nwork = itaup + *m;
i__1 = *lwork - nwork + 1;
dgebrd_(m, n, &a[a_offset], lda, &s[1], &work[ie], &work[itauq], &work[itaup],
&work[nwork], &i__1, info);
i__1 = *lwork - nwork + 1;
dormbr_((char *)"Q", (char *)"L", (char *)"T", m, nrhs, n, &a[a_offset], lda, &work[itauq], &b[b_offset], ldb,
&work[nwork], &i__1, info, (ftnlen)1, (ftnlen)1, (ftnlen)1);
dlalsd_((char *)"L", &smlsiz, m, nrhs, &s[1], &work[ie], &b[b_offset], ldb, rcond, rank,
&work[nwork], &iwork[1], info, (ftnlen)1);
if (*info != 0) {
goto L10;
}
i__1 = *lwork - nwork + 1;
dormbr_((char *)"P", (char *)"L", (char *)"N", n, nrhs, m, &a[a_offset], lda, &work[itaup], &b[b_offset], ldb,
&work[nwork], &i__1, info, (ftnlen)1, (ftnlen)1, (ftnlen)1);
}
}
if (iascl == 1) {
dlascl_((char *)"G", &c__0, &c__0, &anrm, &smlnum, n, nrhs, &b[b_offset], ldb, info, (ftnlen)1);
dlascl_((char *)"G", &c__0, &c__0, &smlnum, &anrm, &minmn, &c__1, &s[1], &minmn, info, (ftnlen)1);
} else if (iascl == 2) {
dlascl_((char *)"G", &c__0, &c__0, &anrm, &bignum, n, nrhs, &b[b_offset], ldb, info, (ftnlen)1);
dlascl_((char *)"G", &c__0, &c__0, &bignum, &anrm, &minmn, &c__1, &s[1], &minmn, info, (ftnlen)1);
}
if (ibscl == 1) {
dlascl_((char *)"G", &c__0, &c__0, &smlnum, &bnrm, n, nrhs, &b[b_offset], ldb, info, (ftnlen)1);
} else if (ibscl == 2) {
dlascl_((char *)"G", &c__0, &c__0, &bignum, &bnrm, n, nrhs, &b[b_offset], ldb, info, (ftnlen)1);
}
L10:
work[1] = (doublereal)maxwrk;
iwork[1] = liwork;
return 0;
}
#ifdef __cplusplus
}
#endif