elpa1_auxiliary Module Reference

Data Types
interface	cholesky_complex
	old, deprecated interface cholesky_complex: Cholesky factorization of a complex hermitian matrix More...
interface	cholesky_real
	old, deprecated interface cholesky_real: Cholesky factorization of a real symmetric matrix More...
interface	invert_trm_complex
	old, deprecated interface invert_trm_complex: Inverts a complex upper triangular matrix More...
interface	invert_trm_real
	Old, deprecated interface invert_trm_real: Inverts a upper triangular matrix. More...
interface	mult_ah_b_complex
	Old, deprecated interface mult_ah_b_complex: Performs C : = A**H * B where A is a square matrix (na,na) which is optionally upper or lower triangular B is a (na,ncb) matrix C is a (na,ncb) matrix where optionally only the upper or lower triangle may be computed. More...
interface	mult_at_b_real
	mult_at_b_real: Performs C : = A**T * B this is the old, deprecated interface for the newer elpa_mult_at_b_real where A is a square matrix (na,na) which is optionally upper or lower triangular B is a (na,ncb) matrix C is a (na,ncb) matrix where optionally only the upper or lower triangle may be computed More...

Functions/Subroutines
logical function, public	elpa_cholesky_real (na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug)
	elpa_cholesky_real: Cholesky factorization of a real symmetric matrix More...
logical function, public	elpa_invert_trm_real (na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug)
	elpa_invert_trm_real: Inverts a upper triangular matrix More...
logical function, public	elpa_cholesky_complex (na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug)
	elpa_cholesky_complex: Cholesky factorization of a complex hermitian matrix More...
logical function, public	elpa_invert_trm_complex (na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug)
	elpa_invert_trm_complex: Inverts a complex upper triangular matrix More...
logical function, public	elpa_mult_at_b_real (uplo_a, uplo_c, na, ncb, a, lda, b, ldb, nblk, mpi_comm_rows, mpi_comm_cols, c, ldc)
	elpa_mult_at_b_real: Performs C : = A**T * B where A is a square matrix (na,na) which is optionally upper or lower triangular B is a (na,ncb) matrix C is a (na,ncb) matrix where optionally only the upper or lower triangle may be computed More...
logical function, public	elpa_mult_ah_b_complex (uplo_a, uplo_c, na, ncb, a, lda, b, ldb, nblk, mpi_comm_rows, mpi_comm_cols, c, ldc)
	elpa_mult_ah_b_complex: Performs C : = A**H * B where A is a square matrix (na,na) which is optionally upper or lower triangular B is a (na,ncb) matrix C is a (na,ncb) matrix where optionally only the upper or lower triangle may be computed More...
logical function, public	elpa_solve_tridi (na, nev, d, e, q, ldq, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug)
	elpa_solve_tridi: Solve tridiagonal eigensystem with divide and conquer method More...

Function/Subroutine Documentation

logical function, public elpa1_auxiliary::elpa_cholesky_complex	(	integer(kind=ik)	na,
		complex(kind=ck), dimension(lda,matrixcols)	a,
		integer(kind=ik)	lda,
		integer(kind=ik)	nblk,
		integer(kind=ik)	matrixCols,
		integer(kind=ik)	mpi_comm_rows,
		integer(kind=ik)	mpi_comm_cols,
		logical, intent(in)	wantDebug
	)

elpa_cholesky_complex: Cholesky factorization of a complex hermitian matrix

Parameters

na	Order of matrix
a(lda,matrixCols)	Distributed matrix which should be factorized. Distribution is like in Scalapack. Only upper triangle is needs to be set. On return, the upper triangle contains the Cholesky factor and the lower triangle is set to 0.
lda	Leading dimension of a
matrixCols	local columns of matrix a
nblk	blocksize of cyclic distribution, must be the same in both directions!
mpi_comm_rows	MPI communicator for rows
mpi_comm_cols	MPI communicator for columns
wantDebug	logical, more debug information on failure

Returns

succes logical, reports success or failure

logical function, public elpa1_auxiliary::elpa_cholesky_real	(	integer(kind=ik)	na,
		real(kind=rk), dimension(lda,matrixcols)	a,
		integer(kind=ik)	lda,
		integer(kind=ik)	nblk,
		integer(kind=ik)	matrixCols,
		integer(kind=ik)	mpi_comm_rows,
		integer(kind=ik)	mpi_comm_cols,
		logical, intent(in)	wantDebug
	)

elpa_cholesky_real: Cholesky factorization of a real symmetric matrix

Parameters

na	Order of matrix
a(lda,matrixCols)	Distributed matrix which should be factorized. Distribution is like in Scalapack. Only upper triangle is needs to be set. On return, the upper triangle contains the Cholesky factor and the lower triangle is set to 0.
lda	Leading dimension of a
matrixCols	local columns of matrix a
nblk	blocksize of cyclic distribution, must be the same in both directions!
mpi_comm_rows	MPI communicator for rows
mpi_comm_cols	MPI communicator for columns
wantDebug	logical, more debug information on failure

Returns

succes logical, reports success or failure

logical function, public elpa1_auxiliary::elpa_invert_trm_complex	(	integer(kind=ik)	na,
		complex(kind=ck), dimension(lda,matrixcols)	a,
		integer(kind=ik)	lda,
		integer(kind=ik)	nblk,
		integer(kind=ik)	matrixCols,
		integer(kind=ik)	mpi_comm_rows,
		integer(kind=ik)	mpi_comm_cols,
		logical, intent(in)	wantDebug
	)

elpa_invert_trm_complex: Inverts a complex upper triangular matrix

Parameters

na	Order of matrix
a(lda,matrixCols)	Distributed matrix which should be inverted Distribution is like in Scalapack. Only upper triangle is needs to be set. The lower triangle is not referenced.
lda	Leading dimension of a
matrixCols	local columns of matrix a
nblk	blocksize of cyclic distribution, must be the same in both directions!
mpi_comm_rows	MPI communicator for rows
mpi_comm_cols	MPI communicator for columns
wantDebug	logical, more debug information on failure

Returns

succes logical, reports success or failure

logical function, public elpa1_auxiliary::elpa_invert_trm_real	(	integer(kind=ik)	na,
		real(kind=rk), dimension(lda,matrixcols)	a,
		integer(kind=ik)	lda,
		integer(kind=ik)	nblk,
		integer(kind=ik)	matrixCols,
		integer(kind=ik)	mpi_comm_rows,
		integer(kind=ik)	mpi_comm_cols,
		logical, intent(in)	wantDebug
	)

elpa_invert_trm_real: Inverts a upper triangular matrix

Parameters

na	Order of matrix
a(lda,matrixCols)	Distributed matrix which should be inverted Distribution is like in Scalapack. Only upper triangle is needs to be set. The lower triangle is not referenced.
lda	Leading dimension of a
matrixCols	local columns of matrix a
nblk	blocksize of cyclic distribution, must be the same in both directions!
mpi_comm_rows	MPI communicator for rows
mpi_comm_cols	MPI communicator for columns
wantDebug	logical, more debug information on failure

Returns

succes logical, reports success or failure

logical function, public elpa1_auxiliary::elpa_mult_ah_b_complex	(	character*1	uplo_a,
		character*1	uplo_c,
		integer(kind=ik)	na,
		integer(kind=ik)	ncb,
		complex(kind=ck), dimension(lda,*)	a,
		integer(kind=ik)	lda,
		complex(kind=ck), dimension(ldb,*)	b,
		integer(kind=ik)	ldb,
		integer(kind=ik)	nblk,
		integer(kind=ik)	mpi_comm_rows,
		integer(kind=ik)	mpi_comm_cols,
		complex(kind=ck), dimension(ldc,*)	c,
		integer(kind=ik)	ldc
	)

elpa_mult_ah_b_complex: Performs C : = A**H * B where A is a square matrix (na,na) which is optionally upper or lower triangular B is a (na,ncb) matrix C is a (na,ncb) matrix where optionally only the upper or lower triangle may be computed

Parameters

uplo_a	'U' if A is upper triangular 'L' if A is lower triangular anything else if A is a full matrix Please note: This pertains to the original A (as set in the calling program) whereas the transpose of A is used for calculations If uplo_a is 'U' or 'L', the other triangle is not used at all, i.e. it may contain arbitrary numbers
uplo_c	'U' if only the upper diagonal part of C is needed 'L' if only the upper diagonal part of C is needed anything else if the full matrix C is needed Please note: Even when uplo_c is 'U' or 'L', the other triangle may be written to a certain extent, i.e. one shouldn't rely on the content there!
na	Number of rows/columns of A, number of rows of B and C
ncb	Number of columns of B and C
a	matrix a
lda	leading dimension of matrix a
b	matrix b
ldb	leading dimension of matrix b
nblk	blocksize of cyclic distribution, must be the same in both directions!
mpi_comm_rows	MPI communicator for rows
mpi_comm_cols	MPI communicator for columns
c	matrix c
ldc	leading dimension of matrix c

Returns

success logical reports success or failure

logical function, public elpa1_auxiliary::elpa_mult_at_b_real	(	character*1	uplo_a,
		character*1	uplo_c,
		integer(kind=ik)	na,
		integer(kind=ik)	ncb,
		real(kind=rk), dimension(lda,*)	a,
		integer(kind=ik)	lda,
		real(kind=rk), dimension(ldb,*)	b,
		integer(kind=ik)	ldb,
		integer(kind=ik)	nblk,
		integer(kind=ik)	mpi_comm_rows,
		integer(kind=ik)	mpi_comm_cols,
		real(kind=rk), dimension(ldc,*)	c,
		integer(kind=ik)	ldc
	)

elpa_mult_at_b_real: Performs C : = A**T * B where A is a square matrix (na,na) which is optionally upper or lower triangular B is a (na,ncb) matrix C is a (na,ncb) matrix where optionally only the upper or lower triangle may be computed

Parameters

uplo_a	'U' if A is upper triangular 'L' if A is lower triangular anything else if A is a full matrix Please note: This pertains to the original A (as set in the calling program) whereas the transpose of A is used for calculations If uplo_a is 'U' or 'L', the other triangle is not used at all, i.e. it may contain arbitrary numbers
uplo_c	'U' if only the upper diagonal part of C is needed 'L' if only the upper diagonal part of C is needed anything else if the full matrix C is needed Please note: Even when uplo_c is 'U' or 'L', the other triangle may be written to a certain extent, i.e. one shouldn't rely on the content there!
na	Number of rows/columns of A, number of rows of B and C
ncb	Number of columns of B and C
a	matrix a
lda	leading dimension of matrix a
b	matrix b
ldb	leading dimension of matrix b
nblk	blocksize of cyclic distribution, must be the same in both directions!
mpi_comm_rows	MPI communicator for rows
mpi_comm_cols	MPI communicator for columns
c	matrix c
ldc	leading dimension of matrix c

Returns

success logical reports success or failure

logical function, public elpa1_auxiliary::elpa_solve_tridi	(	integer(kind=ik)	na,
		integer(kind=ik)	nev,
		real(kind=rk), dimension(na)	d,
		real(kind=rk), dimension(na)	e,
		real(kind=rk), dimension(ldq,matrixcols)	q,
		integer(kind=ik)	ldq,
		integer(kind=ik)	nblk,
		integer(kind=ik)	matrixCols,
		integer(kind=ik)	mpi_comm_rows,
		integer(kind=ik)	mpi_comm_cols,
		logical, intent(in)	wantDebug
	)

elpa_solve_tridi: Solve tridiagonal eigensystem with divide and conquer method

Parameters

na	Matrix dimension
nev	number of eigenvalues/vectors to be computed
d	array d(na) on input diagonal elements of tridiagonal matrix, on output the eigenvalues in ascending order
e	array e(na) on input subdiagonal elements of matrix, on exit destroyed
q	on exit : matrix q(ldq,matrixCols) contains the eigenvectors
ldq	leading dimension of matrix q
nblk	blocksize of cyclic distribution, must be the same in both directions!
matrixCols	columns of matrix q
mpi_comm_rows	MPI communicator for rows
mpi_comm_cols	MPI communicator for columns
wantDebug	logical, give more debug information if .true.

Returns

success logical, .true. on success, else .false.