Rev. | 4 |
---|---|
Size | 14,555 bytes |
Time | 2010-01-31 21:12:08 |
Author | toshinagata1964 |
Log Message | AmberTools-1.3 (part) is bundled.
|
SUBROUTINE DSYEVX( JOBZ, RANGE, UPLO, N, A, LDA, VL, VU, IL, IU,
$ ABSTOL, M, W, Z, LDZ, WORK, LWORK, IWORK,
$ IFAIL, INFO )
*
* -- LAPACK driver routine (version 3.0) --
* Univ. of Tennessee, Univ. of California Berkeley, NAG Ltd.,
* Courant Institute, Argonne National Lab, and Rice University
* June 30, 1999
*
* .. Scalar Arguments ..
CHARACTER JOBZ, RANGE, UPLO
INTEGER IL, INFO, IU, LDA, LDZ, LWORK, M, N
DOUBLE PRECISION ABSTOL, VL, VU
* ..
* .. Array Arguments ..
INTEGER IFAIL( * ), IWORK( * )
DOUBLE PRECISION A( LDA, * ), W( * ), WORK( * ), Z( LDZ, * )
* ..
*
* Purpose
* =======
*
* DSYEVX computes selected eigenvalues and, optionally, eigenvectors
* of a real symmetric matrix A. Eigenvalues and eigenvectors can be
* selected by specifying either a range of values or a range of indices
* for the desired eigenvalues.
*
* Arguments
* =========
*
* JOBZ (input) CHARACTER*1
* = 'N': Compute eigenvalues only;
* = 'V': Compute eigenvalues and eigenvectors.
*
* RANGE (input) CHARACTER*1
* = 'A': all eigenvalues will be found.
* = 'V': all eigenvalues in the half-open interval (VL,VU]
* will be found.
* = 'I': the IL-th through IU-th eigenvalues will be found.
*
* 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. If UPLO = 'L',
* the leading N-by-N lower triangular part of A contains
* the lower triangular part of the matrix A.
* On exit, the lower triangle (if UPLO='L') or the upper
* triangle (if UPLO='U') of A, including the diagonal, is
* destroyed.
*
* LDA (input) INTEGER
* The leading dimension of the array A. LDA >= max(1,N).
*
* VL (input) DOUBLE PRECISION
* VU (input) DOUBLE PRECISION
* If RANGE='V', the lower and upper bounds of the interval to
* be searched for eigenvalues. VL < VU.
* Not referenced if RANGE = 'A' or 'I'.
*
* IL (input) INTEGER
* IU (input) INTEGER
* If RANGE='I', the indices (in ascending order) of the
* smallest and largest eigenvalues to be returned.
* 1 <= IL <= IU <= N, if N > 0; IL = 1 and IU = 0 if N = 0.
* Not referenced if RANGE = 'A' or 'V'.
*
* ABSTOL (input) DOUBLE PRECISION
* The absolute error tolerance for the eigenvalues.
* An approximate eigenvalue is accepted as converged
* when it is determined to lie in an interval [a,b]
* of width less than or equal to
*
* ABSTOL + EPS * max( |a|,|b| ) ,
*
* where EPS is the machine precision. If ABSTOL is less than
* or equal to zero, then EPS*|T| will be used in its place,
* where |T| is the 1-norm of the tridiagonal matrix obtained
* by reducing A to tridiagonal form.
*
* Eigenvalues will be computed most accurately when ABSTOL is
* set to twice the underflow threshold 2*DLAMCH('S'), not zero.
* If this routine returns with INFO>0, indicating that some
* eigenvectors did not converge, try setting ABSTOL to
* 2*DLAMCH('S').
*
* See "Computing Small Singular Values of Bidiagonal Matrices
* with Guaranteed High Relative Accuracy," by Demmel and
* Kahan, LAPACK Working Note #3.
*
* M (output) INTEGER
* The total number of eigenvalues found. 0 <= M <= N.
* If RANGE = 'A', M = N, and if RANGE = 'I', M = IU-IL+1.
*
* W (output) DOUBLE PRECISION array, dimension (N)
* On normal exit, the first M elements contain the selected
* eigenvalues in ascending order.
*
* Z (output) DOUBLE PRECISION array, dimension (LDZ, max(1,M))
* If JOBZ = 'V', then if INFO = 0, the first M columns of Z
* contain the orthonormal eigenvectors of the matrix A
* corresponding to the selected eigenvalues, with the i-th
* column of Z holding the eigenvector associated with W(i).
* If an eigenvector fails to converge, then that column of Z
* contains the latest approximation to the eigenvector, and the
* index of the eigenvector is returned in IFAIL.
* If JOBZ = 'N', then Z is not referenced.
* Note: the user must ensure that at least max(1,M) columns are
* supplied in the array Z; if RANGE = 'V', the exact value of M
* is not known in advance and an upper bound must be used.
*
* LDZ (input) INTEGER
* The leading dimension of the array Z. LDZ >= 1, and if
* JOBZ = 'V', LDZ >= max(1,N).
*
* WORK (workspace/output) DOUBLE PRECISION array, dimension (LWORK)
* On exit, if INFO = 0, WORK(1) returns the optimal LWORK.
*
* LWORK (input) INTEGER
* The length of the array WORK. LWORK >= max(1,8*N).
* For optimal efficiency, LWORK >= (NB+3)*N,
* where NB is the max of the blocksize for DSYTRD and DORMTR
* returned by ILAENV.
*
* 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.
*
* IWORK (workspace) INTEGER array, dimension (5*N)
*
* IFAIL (output) INTEGER array, dimension (N)
* If JOBZ = 'V', then if INFO = 0, the first M elements of
* IFAIL are zero. If INFO > 0, then IFAIL contains the
* indices of the eigenvectors that failed to converge.
* If JOBZ = 'N', then IFAIL is not referenced.
*
* INFO (output) INTEGER
* = 0: successful exit
* < 0: if INFO = -i, the i-th argument had an illegal value
* > 0: if INFO = i, then i eigenvectors failed to converge.
* Their indices are stored in array IFAIL.
*
* =====================================================================
*
* .. Parameters ..
DOUBLE PRECISION ZERO, ONE
PARAMETER ( ZERO = 0.0D+0, ONE = 1.0D+0 )
* ..
* .. Local Scalars ..
LOGICAL ALLEIG, INDEIG, LOWER, LQUERY, VALEIG, WANTZ
CHARACTER ORDER
INTEGER I, IINFO, IMAX, INDD, INDE, INDEE, INDIBL,
$ INDISP, INDIWO, INDTAU, INDWKN, INDWRK, ISCALE,
$ ITMP1, J, JJ, LLWORK, LLWRKN, LOPT, LWKOPT, NB,
$ NSPLIT
DOUBLE PRECISION ABSTLL, ANRM, BIGNUM, EPS, RMAX, RMIN, SAFMIN,
$ SIGMA, SMLNUM, TMP1, VLL, VUU
* ..
* .. External Functions ..
LOGICAL LSAME
INTEGER ILAENV
DOUBLE PRECISION DLAMCH, DLANSY
EXTERNAL LSAME, ILAENV, DLAMCH, DLANSY
* ..
* .. External Subroutines ..
EXTERNAL DCOPY, DLACPY, DORGTR, DORMTR, DSCAL, DSTEBZ,
$ DSTEIN, DSTEQR, DSTERF, DSWAP, DSYTRD, XERBLA
* ..
* .. Intrinsic Functions ..
INTRINSIC MAX, MIN, SQRT
* ..
* .. Executable Statements ..
*
* Test the input parameters.
*
LOWER = LSAME( UPLO, 'L' )
WANTZ = LSAME( JOBZ, 'V' )
ALLEIG = LSAME( RANGE, 'A' )
VALEIG = LSAME( RANGE, 'V' )
INDEIG = LSAME( RANGE, 'I' )
LQUERY = ( LWORK.EQ.-1 )
*
INFO = 0
IF( .NOT.( WANTZ .OR. LSAME( JOBZ, 'N' ) ) ) THEN
INFO = -1
ELSE IF( .NOT.( ALLEIG .OR. VALEIG .OR. INDEIG ) ) THEN
INFO = -2
ELSE IF( .NOT.( LOWER .OR. LSAME( UPLO, 'U' ) ) ) THEN
INFO = -3
ELSE IF( N.LT.0 ) THEN
INFO = -4
ELSE IF( LDA.LT.MAX( 1, N ) ) THEN
INFO = -6
ELSE
IF( VALEIG ) THEN
IF( N.GT.0 .AND. VU.LE.VL )
$ INFO = -8
ELSE IF( INDEIG ) THEN
IF( IL.LT.1 .OR. IL.GT.MAX( 1, N ) ) THEN
INFO = -9
ELSE IF( IU.LT.MIN( N, IL ) .OR. IU.GT.N ) THEN
INFO = -10
END IF
END IF
END IF
IF( INFO.EQ.0 ) THEN
IF( LDZ.LT.1 .OR. ( WANTZ .AND. LDZ.LT.N ) ) THEN
INFO = -15
ELSE IF( LWORK.LT.MAX( 1, 8*N ) .AND. .NOT.LQUERY ) THEN
INFO = -17
END IF
END IF
*
IF( INFO.EQ.0 ) THEN
NB = ILAENV( 1, 'DSYTRD', UPLO, N, -1, -1, -1 )
NB = MAX( NB, ILAENV( 1, 'DORMTR', UPLO, N, -1, -1, -1 ) )
LWKOPT = ( NB+3 )*N
WORK( 1 ) = LWKOPT
END IF
*
IF( INFO.NE.0 ) THEN
CALL XERBLA( 'DSYEVX', -INFO )
RETURN
ELSE IF( LQUERY ) THEN
RETURN
END IF
*
* Quick return if possible
*
M = 0
IF( N.EQ.0 ) THEN
WORK( 1 ) = 1
RETURN
END IF
*
IF( N.EQ.1 ) THEN
WORK( 1 ) = 7
IF( ALLEIG .OR. INDEIG ) THEN
M = 1
W( 1 ) = A( 1, 1 )
ELSE
IF( VL.LT.A( 1, 1 ) .AND. VU.GE.A( 1, 1 ) ) THEN
M = 1
W( 1 ) = A( 1, 1 )
END IF
END IF
IF( WANTZ )
$ Z( 1, 1 ) = ONE
RETURN
END IF
*
* Get machine constants.
*
SAFMIN = DLAMCH( 'Safe minimum' )
EPS = DLAMCH( 'Precision' )
SMLNUM = SAFMIN / EPS
BIGNUM = ONE / SMLNUM
RMIN = SQRT( SMLNUM )
RMAX = MIN( SQRT( BIGNUM ), ONE / SQRT( SQRT( SAFMIN ) ) )
*
* Scale matrix to allowable range, if necessary.
*
ISCALE = 0
ABSTLL = ABSTOL
VLL = VL
VUU = VU
ANRM = DLANSY( 'M', UPLO, N, A, LDA, WORK )
IF( ANRM.GT.ZERO .AND. ANRM.LT.RMIN ) THEN
ISCALE = 1
SIGMA = RMIN / ANRM
ELSE IF( ANRM.GT.RMAX ) THEN
ISCALE = 1
SIGMA = RMAX / ANRM
END IF
IF( ISCALE.EQ.1 ) THEN
IF( LOWER ) THEN
DO 10 J = 1, N
CALL DSCAL( N-J+1, SIGMA, A( J, J ), 1 )
10 CONTINUE
ELSE
DO 20 J = 1, N
CALL DSCAL( J, SIGMA, A( 1, J ), 1 )
20 CONTINUE
END IF
IF( ABSTOL.GT.0 )
$ ABSTLL = ABSTOL*SIGMA
IF( VALEIG ) THEN
VLL = VL*SIGMA
VUU = VU*SIGMA
END IF
END IF
*
* Call DSYTRD to reduce symmetric matrix to tridiagonal form.
*
INDTAU = 1
INDE = INDTAU + N
INDD = INDE + N
INDWRK = INDD + N
LLWORK = LWORK - INDWRK + 1
CALL DSYTRD( UPLO, N, A, LDA, WORK( INDD ), WORK( INDE ),
$ WORK( INDTAU ), WORK( INDWRK ), LLWORK, IINFO )
LOPT = 3*N + WORK( INDWRK )
*
* If all eigenvalues are desired and ABSTOL is less than or equal to
* zero, then call DSTERF or DORGTR and SSTEQR. If this fails for
* some eigenvalue, then try DSTEBZ.
*
IF( ( ALLEIG .OR. ( INDEIG .AND. IL.EQ.1 .AND. IU.EQ.N ) ) .AND.
$ ( ABSTOL.LE.ZERO ) ) THEN
CALL DCOPY( N, WORK( INDD ), 1, W, 1 )
INDEE = INDWRK + 2*N
IF( .NOT.WANTZ ) THEN
CALL DCOPY( N-1, WORK( INDE ), 1, WORK( INDEE ), 1 )
CALL DSTERF( N, W, WORK( INDEE ), INFO )
ELSE
CALL DLACPY( 'A', N, N, A, LDA, Z, LDZ )
CALL DORGTR( UPLO, N, Z, LDZ, WORK( INDTAU ),
$ WORK( INDWRK ), LLWORK, IINFO )
CALL DCOPY( N-1, WORK( INDE ), 1, WORK( INDEE ), 1 )
CALL DSTEQR( JOBZ, N, W, WORK( INDEE ), Z, LDZ,
$ WORK( INDWRK ), INFO )
IF( INFO.EQ.0 ) THEN
DO 30 I = 1, N
IFAIL( I ) = 0
30 CONTINUE
END IF
END IF
IF( INFO.EQ.0 ) THEN
M = N
GO TO 40
END IF
INFO = 0
END IF
*
* Otherwise, call DSTEBZ and, if eigenvectors are desired, SSTEIN.
*
IF( WANTZ ) THEN
ORDER = 'B'
ELSE
ORDER = 'E'
END IF
INDIBL = 1
INDISP = INDIBL + N
INDIWO = INDISP + N
CALL DSTEBZ( RANGE, ORDER, N, VLL, VUU, IL, IU, ABSTLL,
$ WORK( INDD ), WORK( INDE ), M, NSPLIT, W,
$ IWORK( INDIBL ), IWORK( INDISP ), WORK( INDWRK ),
$ IWORK( INDIWO ), INFO )
*
IF( WANTZ ) THEN
CALL DSTEIN( N, WORK( INDD ), WORK( INDE ), M, W,
$ IWORK( INDIBL ), IWORK( INDISP ), Z, LDZ,
$ WORK( INDWRK ), IWORK( INDIWO ), IFAIL, INFO )
*
* Apply orthogonal matrix used in reduction to tridiagonal
* form to eigenvectors returned by DSTEIN.
*
INDWKN = INDE
LLWRKN = LWORK - INDWKN + 1
CALL DORMTR( 'L', UPLO, 'N', N, M, A, LDA, WORK( INDTAU ), Z,
$ LDZ, WORK( INDWKN ), LLWRKN, IINFO )
END IF
*
* If matrix was scaled, then rescale eigenvalues appropriately.
*
40 CONTINUE
IF( ISCALE.EQ.1 ) THEN
IF( INFO.EQ.0 ) THEN
IMAX = M
ELSE
IMAX = INFO - 1
END IF
CALL DSCAL( IMAX, ONE / SIGMA, W, 1 )
END IF
*
* If eigenvalues are not in order, then sort them, along with
* eigenvectors.
*
IF( WANTZ ) THEN
DO 60 J = 1, M - 1
I = 0
TMP1 = W( J )
DO 50 JJ = J + 1, M
IF( W( JJ ).LT.TMP1 ) THEN
I = JJ
TMP1 = W( JJ )
END IF
50 CONTINUE
*
IF( I.NE.0 ) THEN
ITMP1 = IWORK( INDIBL+I-1 )
W( I ) = W( J )
IWORK( INDIBL+I-1 ) = IWORK( INDIBL+J-1 )
W( J ) = TMP1
IWORK( INDIBL+J-1 ) = ITMP1
CALL DSWAP( N, Z( 1, I ), 1, Z( 1, J ), 1 )
IF( INFO.NE.0 ) THEN
ITMP1 = IFAIL( I )
IFAIL( I ) = IFAIL( J )
IFAIL( J ) = ITMP1
END IF
END IF
60 CONTINUE
END IF
*
* Set WORK(1) to optimal workspace size.
*
WORK( 1 ) = LWKOPT
*
RETURN
*
* End of DSYEVX
*
END