jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
lammps/lib/linalg/iparmq.f

396 lines
14 KiB
Fortran
Raw Blame History

*> \brief \b IPARMQ
*
* =========== DOCUMENTATION ===========
*
* Online html documentation available at
* http://www.netlib.org/lapack/explore-html/
*
*> \htmlonly
*> Download IPARMQ + dependencies
*> <a href="http://www.netlib.org/cgi-bin/netlibfiles.tgz?format=tgz&filename=/lapack/lapack_routine/iparmq.f">
*> [TGZ]</a>
*> <a href="http://www.netlib.org/cgi-bin/netlibfiles.zip?format=zip&filename=/lapack/lapack_routine/iparmq.f">
*> [ZIP]</a>
*> <a href="http://www.netlib.org/cgi-bin/netlibfiles.txt?format=txt&filename=/lapack/lapack_routine/iparmq.f">
*> [TXT]</a>
*> \endhtmlonly
*
* Definition:
* ===========
*
* INTEGER FUNCTION IPARMQ( ISPEC, NAME, OPTS, N, ILO, IHI, LWORK )
*
* .. Scalar Arguments ..
* INTEGER IHI, ILO, ISPEC, LWORK, N
* CHARACTER NAME*( * ), OPTS*( * )
*
*
*> \par Purpose:
* =============
*>
*> \verbatim
*>
*> This program sets problem and machine dependent parameters
*> useful for xHSEQR and related subroutines for eigenvalue
*> problems. It is called whenever
*> IPARMQ is called with 12 <= ISPEC <= 16
*> \endverbatim
*
* Arguments:
* ==========
*
*> \param[in] ISPEC
*> \verbatim
*> ISPEC is INTEGER
*> ISPEC specifies which tunable parameter IPARMQ should
*> return.
*>
*> ISPEC=12: (INMIN) Matrices of order nmin or less
*> are sent directly to xLAHQR, the implicit
*> double shift QR algorithm. NMIN must be
*> at least 11.
*>
*> ISPEC=13: (INWIN) Size of the deflation window.
*> This is best set greater than or equal to
*> the number of simultaneous shifts NS.
*> Larger matrices benefit from larger deflation
*> windows.
*>
*> ISPEC=14: (INIBL) Determines when to stop nibbling and
*> invest in an (expensive) multi-shift QR sweep.
*> If the aggressive early deflation subroutine
*> finds LD converged eigenvalues from an order
*> NW deflation window and LD.GT.(NW*NIBBLE)/100,
*> then the next QR sweep is skipped and early
*> deflation is applied immediately to the
*> remaining active diagonal block. Setting
*> IPARMQ(ISPEC=14) = 0 causes TTQRE to skip a
*> multi-shift QR sweep whenever early deflation
*> finds a converged eigenvalue. Setting
*> IPARMQ(ISPEC=14) greater than or equal to 100
*> prevents TTQRE from skipping a multi-shift
*> QR sweep.
*>
*> ISPEC=15: (NSHFTS) The number of simultaneous shifts in
*> a multi-shift QR iteration.
*>
*> ISPEC=16: (IACC22) IPARMQ is set to 0, 1 or 2 with the
*> following meanings.
*> 0: During the multi-shift QR/QZ sweep,
*> blocked eigenvalue reordering, blocked
*> Hessenberg-triangular reduction,
*> reflections and/or rotations are not
*> accumulated when updating the
*> far-from-diagonal matrix entries.
*> 1: During the multi-shift QR/QZ sweep,
*> blocked eigenvalue reordering, blocked
*> Hessenberg-triangular reduction,
*> reflections and/or rotations are
*> accumulated, and matrix-matrix
*> multiplication is used to update the
*> far-from-diagonal matrix entries.
*> 2: During the multi-shift QR/QZ sweep,
*> blocked eigenvalue reordering, blocked
*> Hessenberg-triangular reduction,
*> reflections and/or rotations are
*> accumulated, and 2-by-2 block structure
*> is exploited during matrix-matrix
*> multiplies.
*> (If xTRMM is slower than xGEMM, then
*> IPARMQ(ISPEC=16)=1 may be more efficient than
*> IPARMQ(ISPEC=16)=2 despite the greater level of
*> arithmetic work implied by the latter choice.)
*> \endverbatim
*>
*> \param[in] NAME
*> \verbatim
*> NAME is character string
*> Name of the calling subroutine
*> \endverbatim
*>
*> \param[in] OPTS
*> \verbatim
*> OPTS is character string
*> This is a concatenation of the string arguments to
*> TTQRE.
*> \endverbatim
*>
*> \param[in] N
*> \verbatim
*> N is INTEGER
*> N is the order of the Hessenberg matrix H.
*> \endverbatim
*>
*> \param[in] ILO
*> \verbatim
*> ILO is INTEGER
*> \endverbatim
*>
*> \param[in] IHI
*> \verbatim
*> IHI is INTEGER
*> It is assumed that H is already upper triangular
*> in rows and columns 1:ILO-1 and IHI+1:N.
*> \endverbatim
*>
*> \param[in] LWORK
*> \verbatim
*> LWORK is INTEGER
*> The amount of workspace available.
*> \endverbatim
*
* Authors:
* ========
*
*> \author Univ. of Tennessee
*> \author Univ. of California Berkeley
*> \author Univ. of Colorado Denver
*> \author NAG Ltd.
*
*> \date June 2017
*
*> \ingroup OTHERauxiliary
*
*> \par Further Details:
* =====================
*>
*> \verbatim
*>
*> Little is known about how best to choose these parameters.
*> It is possible to use different values of the parameters
*> for each of CHSEQR, DHSEQR, SHSEQR and ZHSEQR.
*>
*> It is probably best to choose different parameters for
*> different matrices and different parameters at different
*> times during the iteration, but this has not been
*> implemented --- yet.
*>
*>
*> The best choices of most of the parameters depend
*> in an ill-understood way on the relative execution
*> rate of xLAQR3 and xLAQR5 and on the nature of each
*> particular eigenvalue problem. Experiment may be the
*> only practical way to determine which choices are most
*> effective.
*>
*> Following is a list of default values supplied by IPARMQ.
*> These defaults may be adjusted in order to attain better
*> performance in any particular computational environment.
*>
*> IPARMQ(ISPEC=12) The xLAHQR vs xLAQR0 crossover point.
*> Default: 75. (Must be at least 11.)
*>
*> IPARMQ(ISPEC=13) Recommended deflation window size.
*> This depends on ILO, IHI and NS, the
*> number of simultaneous shifts returned
*> by IPARMQ(ISPEC=15). The default for
*> (IHI-ILO+1).LE.500 is NS. The default
*> for (IHI-ILO+1).GT.500 is 3*NS/2.
*>
*> IPARMQ(ISPEC=14) Nibble crossover point. Default: 14.
*>
*> IPARMQ(ISPEC=15) Number of simultaneous shifts, NS.
*> a multi-shift QR iteration.
*>
*> If IHI-ILO+1 is ...
*>
*> greater than ...but less ... the
*> or equal to ... than default is
*>
*> 0 30 NS = 2+
*> 30 60 NS = 4+
*> 60 150 NS = 10
*> 150 590 NS = **
*> 590 3000 NS = 64
*> 3000 6000 NS = 128
*> 6000 infinity NS = 256
*>
*> (+) By default matrices of this order are
*> passed to the implicit double shift routine
*> xLAHQR. See IPARMQ(ISPEC=12) above. These
*> values of NS are used only in case of a rare
*> xLAHQR failure.
*>
*> (**) The asterisks (**) indicate an ad-hoc
*> function increasing from 10 to 64.
*>
*> IPARMQ(ISPEC=16) Select structured matrix multiply.
*> (See ISPEC=16 above for details.)
*> Default: 3.
*> \endverbatim
*>
* =====================================================================
INTEGER FUNCTION IPARMQ( ISPEC, NAME, OPTS, N, ILO, IHI, LWORK )
*
* -- LAPACK auxiliary routine (version 3.7.1) --
* -- LAPACK is a software package provided by Univ. of Tennessee, --
* -- Univ. of California Berkeley, Univ. of Colorado Denver and NAG Ltd..--
* June 2017
*
* .. Scalar Arguments ..
INTEGER IHI, ILO, ISPEC, LWORK, N
CHARACTER NAME*( * ), OPTS*( * )
*
* ================================================================
* .. Parameters ..
INTEGER INMIN, INWIN, INIBL, ISHFTS, IACC22
PARAMETER ( INMIN = 12, INWIN = 13, INIBL = 14,
$ ISHFTS = 15, IACC22 = 16 )
INTEGER NMIN, K22MIN, KACMIN, NIBBLE, KNWSWP
PARAMETER ( NMIN = 75, K22MIN = 14, KACMIN = 14,
$ NIBBLE = 14, KNWSWP = 500 )
REAL TWO
PARAMETER ( TWO = 2.0 )
* ..
* .. Local Scalars ..
INTEGER NH, NS
INTEGER I, IC, IZ
CHARACTER SUBNAM*6
* ..
* .. Intrinsic Functions ..
INTRINSIC LOG, MAX, MOD, NINT, REAL
* ..
* .. Executable Statements ..
IF( ( ISPEC.EQ.ISHFTS ) .OR. ( ISPEC.EQ.INWIN ) .OR.
$ ( ISPEC.EQ.IACC22 ) ) THEN
*
* ==== Set the number simultaneous shifts ====
*
NH = IHI - ILO + 1
NS = 2
IF( NH.GE.30 )
$ NS = 4
IF( NH.GE.60 )
$ NS = 10
IF( NH.GE.150 )
$ NS = MAX( 10, NH / NINT( LOG( REAL( NH ) ) / LOG( TWO ) ) )
IF( NH.GE.590 )
$ NS = 64
IF( NH.GE.3000 )
$ NS = 128
IF( NH.GE.6000 )
$ NS = 256
NS = MAX( 2, NS-MOD( NS, 2 ) )
END IF
*
IF( ISPEC.EQ.INMIN ) THEN
*
*
* ===== Matrices of order smaller than NMIN get sent
* . to xLAHQR, the classic double shift algorithm.
* . This must be at least 11. ====
*
IPARMQ = NMIN
*
ELSE IF( ISPEC.EQ.INIBL ) THEN
*
* ==== INIBL: skip a multi-shift qr iteration and
* . whenever aggressive early deflation finds
* . at least (NIBBLE*(window size)/100) deflations. ====
*
IPARMQ = NIBBLE
*
ELSE IF( ISPEC.EQ.ISHFTS ) THEN
*
* ==== NSHFTS: The number of simultaneous shifts =====
*
IPARMQ = NS
*
ELSE IF( ISPEC.EQ.INWIN ) THEN
*
* ==== NW: deflation window size. ====
*
IF( NH.LE.KNWSWP ) THEN
IPARMQ = NS
ELSE
IPARMQ = 3*NS / 2
END IF
*
ELSE IF( ISPEC.EQ.IACC22 ) THEN
*
* ==== IACC22: Whether to accumulate reflections
* . before updating the far-from-diagonal elements
* . and whether to use 2-by-2 block structure while
* . doing it. A small amount of work could be saved
* . by making this choice dependent also upon the
* . NH=IHI-ILO+1.
*
*
* Convert NAME to upper case if the first character is lower case.
*
IPARMQ = 0
SUBNAM = NAME
IC = ICHAR( SUBNAM( 1: 1 ) )
IZ = ICHAR( 'Z' )
IF( IZ.EQ.90 .OR. IZ.EQ.122 ) THEN
*
* ASCII character set
*
IF( IC.GE.97 .AND. IC.LE.122 ) THEN
SUBNAM( 1: 1 ) = CHAR( IC-32 )
DO I = 2, 6
IC = ICHAR( SUBNAM( I: I ) )
IF( IC.GE.97 .AND. IC.LE.122 )
$ SUBNAM( I: I ) = CHAR( IC-32 )
END DO
END IF
*
ELSE IF( IZ.EQ.233 .OR. IZ.EQ.169 ) THEN
*
* EBCDIC character set
*
IF( ( IC.GE.129 .AND. IC.LE.137 ) .OR.
$ ( IC.GE.145 .AND. IC.LE.153 ) .OR.
$ ( IC.GE.162 .AND. IC.LE.169 ) ) THEN
SUBNAM( 1: 1 ) = CHAR( IC+64 )
DO I = 2, 6
IC = ICHAR( SUBNAM( I: I ) )
IF( ( IC.GE.129 .AND. IC.LE.137 ) .OR.
$ ( IC.GE.145 .AND. IC.LE.153 ) .OR.
$ ( IC.GE.162 .AND. IC.LE.169 ) )SUBNAM( I:
$ I ) = CHAR( IC+64 )
END DO
END IF
*
ELSE IF( IZ.EQ.218 .OR. IZ.EQ.250 ) THEN
*
* Prime machines: ASCII+128
*
IF( IC.GE.225 .AND. IC.LE.250 ) THEN
SUBNAM( 1: 1 ) = CHAR( IC-32 )
DO I = 2, 6
IC = ICHAR( SUBNAM( I: I ) )
IF( IC.GE.225 .AND. IC.LE.250 )
$ SUBNAM( I: I ) = CHAR( IC-32 )
END DO
END IF
END IF
*
IF( SUBNAM( 2:6 ).EQ.'GGHRD' .OR.
$ SUBNAM( 2:6 ).EQ.'GGHD3' ) THEN
IPARMQ = 1
IF( NH.GE.K22MIN )
$ IPARMQ = 2
ELSE IF ( SUBNAM( 4:6 ).EQ.'EXC' ) THEN
IF( NH.GE.KACMIN )
$ IPARMQ = 1
IF( NH.GE.K22MIN )
$ IPARMQ = 2
ELSE IF ( SUBNAM( 2:6 ).EQ.'HSEQR' .OR.
$ SUBNAM( 2:5 ).EQ.'LAQR' ) THEN
IF( NS.GE.KACMIN )
$ IPARMQ = 1
IF( NS.GE.K22MIN )
$ IPARMQ = 2
END IF
*
ELSE
* ===== invalid value of ispec =====
IPARMQ = -1
*
END IF
*
* ==== End of IPARMQ ====
*
END
Reference in New Issue View Git Blame Copy Permalink