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/* Ergo, version 3.8, a program for linear scaling electronic structure
* calculations.
* Copyright (C) 2019 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_POTRF_HEADER
#define TEMPLATE_LAPACK_POTRF_HEADER
#include "template_lapack_potf2.h"
template<class Treal>
int template_lapack_potrf(const char *uplo, const integer *n, Treal *a, const integer *
lda, integer *info)
{
/* -- LAPACK routine (version 3.0) --
Univ. of Tennessee, Univ. of California Berkeley, NAG Ltd.,
Courant Institute, Argonne National Lab, and Rice University
March 31, 1993
Purpose
=======
DPOTRF computes the Cholesky factorization of a real symmetric
positive definite matrix A.
The factorization has the form
A = U**T * U, if UPLO = 'U', or
A = L * L**T, if UPLO = 'L',
where U is an upper triangular matrix and L is lower triangular.
This is the block version of the algorithm, calling Level 3 BLAS.
Arguments
=========
UPLO (input) CHARACTER*1
= 'U': Upper triangle of A is stored;
= 'L': Lower triangle of A is stored.
N (input) INTEGER
The order of the matrix A. N >= 0.
A (input/output) DOUBLE PRECISION array, dimension (LDA,N)
On entry, the symmetric matrix A. If UPLO = 'U', the leading
N-by-N upper triangular part of A contains the upper
triangular part of the matrix A, and the strictly lower
triangular part of A is not referenced. If UPLO = 'L', the
leading N-by-N lower triangular part of A contains the lower
triangular part of the matrix A, and the strictly upper
triangular part of A is not referenced.
On exit, if INFO = 0, the factor U or L from the Cholesky
factorization A = U**T*U or A = L*L**T.
LDA (input) INTEGER
The leading dimension of the array A. LDA >= max(1,N).
INFO (output) INTEGER
= 0: successful exit
< 0: if INFO = -i, the i-th argument had an illegal value
> 0: if INFO = i, the leading minor of order i is not
positive definite, and the factorization could not be
completed.
=====================================================================
Test the input parameters.
Parameter adjustments */
/* Table of constant values */
integer c__1 = 1;
integer c_n1 = -1;
Treal c_b13 = -1.;
Treal c_b14 = 1.;
/* System generated locals */
integer a_dim1, a_offset, i__1, i__2, i__3, i__4;
/* Local variables */
integer j;
logical upper;
integer jb, nb;
#define a_ref(a_1,a_2) a[(a_2)*a_dim1 + a_1]
a_dim1 = *lda;
a_offset = 1 + a_dim1 * 1;
a -= a_offset;
/* Function Body */
*info = 0;
upper = template_blas_lsame(uplo, "U");
if (! upper && ! template_blas_lsame(uplo, "L")) {
*info = -1;
} else if (*n < 0) {
*info = -2;
} else if (*lda < maxMACRO(1,*n)) {
*info = -4;
}
if (*info != 0) {
i__1 = -(*info);
template_blas_erbla("POTRF ", &i__1);
return 0;
}
/* Quick return if possible */
if (*n == 0) {
return 0;
}
/* Determine the block size for this environment. */
nb = template_lapack_ilaenv(&c__1, "DPOTRF", uplo, n, &c_n1, &c_n1, &c_n1, (ftnlen)6, (
ftnlen)1);
if (nb <= 1 || nb >= *n) {
/* Use unblocked code. */
template_lapack_potf2(uplo, n, &a[a_offset], lda, info);
} else {
/* Use blocked code. */
if (upper) {
/* Compute the Cholesky factorization A = U'*U. */
i__1 = *n;
i__2 = nb;
for (j = 1; i__2 < 0 ? j >= i__1 : j <= i__1; j += i__2) {
/* Update and factorize the current diagonal block and test
for non-positive-definiteness.
Computing MIN */
i__3 = nb, i__4 = *n - j + 1;
jb = minMACRO(i__3,i__4);
i__3 = j - 1;
template_blas_syrk("Upper", "Transpose", &jb, &i__3, &c_b13, &a_ref(1, j),
lda, &c_b14, &a_ref(j, j), lda)
;
template_lapack_potf2("Upper", &jb, &a_ref(j, j), lda, info);
if (*info != 0) {
goto L30;
}
if (j + jb <= *n) {
/* Compute the current block row. */
i__3 = *n - j - jb + 1;
i__4 = j - 1;
template_blas_gemm("Transpose", "No transpose", &jb, &i__3, &i__4, &
c_b13, &a_ref(1, j), lda, &a_ref(1, j + jb), lda,
&c_b14, &a_ref(j, j + jb), lda);
i__3 = *n - j - jb + 1;
template_blas_trsm("Left", "Upper", "Transpose", "Non-unit", &jb, &
i__3, &c_b14, &a_ref(j, j), lda, &a_ref(j, j + jb)
, lda)
;
}
/* L10: */
}
} else {
/* Compute the Cholesky factorization A = L*L'. */
i__2 = *n;
i__1 = nb;
for (j = 1; i__1 < 0 ? j >= i__2 : j <= i__2; j += i__1) {
/* Update and factorize the current diagonal block and test
for non-positive-definiteness.
Computing MIN */
i__3 = nb, i__4 = *n - j + 1;
jb = minMACRO(i__3,i__4);
i__3 = j - 1;
template_blas_syrk("Lower", "No transpose", &jb, &i__3, &c_b13, &a_ref(j,
1), lda, &c_b14, &a_ref(j, j), lda);
template_lapack_potf2("Lower", &jb, &a_ref(j, j), lda, info);
if (*info != 0) {
goto L30;
}
if (j + jb <= *n) {
/* Compute the current block column. */
i__3 = *n - j - jb + 1;
i__4 = j - 1;
template_blas_gemm("No transpose", "Transpose", &i__3, &jb, &i__4, &
c_b13, &a_ref(j + jb, 1), lda, &a_ref(j, 1), lda,
&c_b14, &a_ref(j + jb, j), lda);
i__3 = *n - j - jb + 1;
template_blas_trsm("Right", "Lower", "Transpose", "Non-unit", &i__3, &
jb, &c_b14, &a_ref(j, j), lda, &a_ref(j + jb, j),
lda);
}
/* L20: */
}
}
}
goto L40;
L30:
*info = *info + j - 1;
L40:
return 0;
/* End of DPOTRF */
} /* dpotrf_ */
#undef a_ref
#endif
|
