996 lines
34 KiB
C
996 lines
34 KiB
C
/* -- translated by f2c (version 20240504).
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You must link the resulting object file with libf2c:
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on Microsoft Windows system, link with libf2c.lib;
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on Linux or Unix systems, link with .../path/to/libf2c.a -lm
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or, if you install libf2c.a in a standard place, with -lf2c -lm
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-- in that order, at the end of the command line, as in
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cc *.o -lf2c -lm
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Source for libf2c is in /netlib/f2c/libf2c.zip, e.g.,
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http://www.netlib.org/f2c/libf2c.zip
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*/
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#include "f2c.h"
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/* Table of constant values */
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static doublereal c_b3 = .66666666666666663;
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static integer c__1 = 1;
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static integer c__0 = 0;
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static integer c__4 = 4;
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static logical c_true = TRUE_;
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static integer c__2 = 2;
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/* \BeginDoc
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\Name: dnaup2
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\Description:
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Intermediate level interface called by dnaupd .
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\Usage:
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call dnaup2
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( IDO, BMAT, N, WHICH, NEV, NP, TOL, RESID, MODE, IUPD,
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ISHIFT, MXITER, V, LDV, H, LDH, RITZR, RITZI, BOUNDS,
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Q, LDQ, WORKL, IPNTR, WORKD, INFO )
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\Arguments
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IDO, BMAT, N, WHICH, NEV, TOL, RESID: same as defined in dnaupd .
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MODE, ISHIFT, MXITER: see the definition of IPARAM in dnaupd .
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NP Integer. (INPUT/OUTPUT)
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Contains the number of implicit shifts to apply during
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each Arnoldi iteration.
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If ISHIFT=1, NP is adjusted dynamically at each iteration
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to accelerate convergence and prevent stagnation.
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This is also roughly equal to the number of matrix-vector
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products (involving the operator OP) per Arnoldi iteration.
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The logic for adjusting is contained within the current
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subroutine.
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If ISHIFT=0, NP is the number of shifts the user needs
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to provide via reverse communication. 0 < NP < NCV-NEV.
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NP may be less than NCV-NEV for two reasons. The first, is
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to keep complex conjugate pairs of "wanted" Ritz values
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together. The second, is that a leading block of the current
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upper Hessenberg matrix has split off and contains "unwanted"
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Ritz values.
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Upon termination of the IRA iteration, NP contains the number
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of "converged" wanted Ritz values.
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IUPD Integer. (INPUT)
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IUPD .EQ. 0: use explicit restart instead implicit update.
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IUPD .NE. 0: use implicit update.
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V Double precision N by (NEV+NP) array. (INPUT/OUTPUT)
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The Arnoldi basis vectors are returned in the first NEV
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columns of V.
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LDV Integer. (INPUT)
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Leading dimension of V exactly as declared in the calling
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program.
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H Double precision (NEV+NP) by (NEV+NP) array. (OUTPUT)
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H is used to store the generated upper Hessenberg matrix
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LDH Integer. (INPUT)
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Leading dimension of H exactly as declared in the calling
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program.
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RITZR, Double precision arrays of length NEV+NP. (OUTPUT)
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RITZI RITZR(1:NEV) (resp. RITZI(1:NEV)) contains the real (resp.
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imaginary) part of the computed Ritz values of OP.
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BOUNDS Double precision array of length NEV+NP. (OUTPUT)
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BOUNDS(1:NEV) contain the error bounds corresponding to
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the computed Ritz values.
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Q Double precision (NEV+NP) by (NEV+NP) array. (WORKSPACE)
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Private (replicated) work array used to accumulate the
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rotation in the shift application step.
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LDQ Integer. (INPUT)
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Leading dimension of Q exactly as declared in the calling
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program.
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WORKL Double precision work array of length at least
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(NEV+NP)**2 + 3*(NEV+NP). (INPUT/WORKSPACE)
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Private (replicated) array on each PE or array allocated on
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the front end. It is used in shifts calculation, shifts
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application and convergence checking.
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On exit, the last 3*(NEV+NP) locations of WORKL contain
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the Ritz values (real,imaginary) and associated Ritz
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estimates of the current Hessenberg matrix. They are
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listed in the same order as returned from dneigh .
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If ISHIFT .EQ. O and IDO .EQ. 3, the first 2*NP locations
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of WORKL are used in reverse communication to hold the user
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supplied shifts.
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IPNTR Integer array of length 3. (OUTPUT)
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Pointer to mark the starting locations in the WORKD for
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vectors used by the Arnoldi iteration.
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-------------------------------------------------------------
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IPNTR(1): pointer to the current operand vector X.
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IPNTR(2): pointer to the current result vector Y.
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IPNTR(3): pointer to the vector B * X when used in the
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shift-and-invert mode. X is the current operand.
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-------------------------------------------------------------
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WORKD Double precision work array of length 3*N. (WORKSPACE)
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Distributed array to be used in the basic Arnoldi iteration
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for reverse communication. The user should not use WORKD
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as temporary workspace during the iteration !!!!!!!!!!
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See Data Distribution Note in DNAUPD.
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INFO Integer. (INPUT/OUTPUT)
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If INFO .EQ. 0, a randomly initial residual vector is used.
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If INFO .NE. 0, RESID contains the initial residual vector,
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possibly from a previous run.
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Error flag on output.
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= 0: Normal return.
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= 1: Maximum number of iterations taken.
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All possible eigenvalues of OP has been found.
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NP returns the number of converged Ritz values.
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= 2: No shifts could be applied.
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= -8: Error return from LAPACK eigenvalue calculation;
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This should never happen.
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= -9: Starting vector is zero.
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= -9999: Could not build an Arnoldi factorization.
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Size that was built in returned in NP.
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\EndDoc
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-----------------------------------------------------------------------
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\BeginLib
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\Local variables:
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xxxxxx real
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\References:
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1. D.C. Sorensen, "Implicit Application of Polynomial Filters in
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a k-Step Arnoldi Method", SIAM J. Matr. Anal. Apps., 13 (1992),
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pp 357-385.
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2. R.B. Lehoucq, "Analysis and Implementation of an Implicitly
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Restarted Arnoldi Iteration", Rice University Technical Report
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TR95-13, Department of Computational and Applied Mathematics.
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\Routines called:
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dgetv0 ARPACK initial vector generation routine.
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dnaitr ARPACK Arnoldi factorization routine.
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dnapps ARPACK application of implicit shifts routine.
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dnconv ARPACK convergence of Ritz values routine.
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dneigh ARPACK compute Ritz values and error bounds routine.
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dngets ARPACK reorder Ritz values and error bounds routine.
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dsortc ARPACK sorting routine.
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ivout ARPACK utility routine that prints integers.
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arscnd ARPACK utility routine for timing.
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dmout ARPACK utility routine that prints matrices
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dvout ARPACK utility routine that prints vectors.
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dlamch LAPACK routine that determines machine constants.
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dlapy2 LAPACK routine to compute sqrt(x**2+y**2) carefully.
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dcopy Level 1 BLAS that copies one vector to another .
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ddot Level 1 BLAS that computes the scalar product of two vectors.
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dnrm2 Level 1 BLAS that computes the norm of a vector.
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dswap Level 1 BLAS that swaps two vectors.
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\Author
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Danny Sorensen Phuong Vu
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Richard Lehoucq CRPC / Rice University
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Dept. of Computational & Houston, Texas
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Applied Mathematics
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Rice University
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Houston, Texas
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\SCCS Information: @(#)
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FILE: naup2.F SID: 2.8 DATE OF SID: 10/17/00 RELEASE: 2
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\Remarks
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1. None
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\EndLib
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-----------------------------------------------------------------------
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Subroutine */ int igraphdnaup2_(integer *ido, char *bmat, integer *n, char *
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which, integer *nev, integer *np, doublereal *tol, doublereal *resid,
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integer *mode, integer *iupd, integer *ishift, integer *mxiter,
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doublereal *v, integer *ldv, doublereal *h__, integer *ldh,
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doublereal *ritzr, doublereal *ritzi, doublereal *bounds, doublereal *
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q, integer *ldq, doublereal *workl, integer *ipntr, doublereal *workd,
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integer *info)
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{
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/* System generated locals */
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integer h_dim1, h_offset, q_dim1, q_offset, v_dim1, v_offset, i__1, i__2;
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doublereal d__1, d__2;
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/* Builtin functions */
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double pow_dd(doublereal *, doublereal *);
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integer s_cmp(char *, char *, ftnlen, ftnlen);
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/* Subroutine */ int s_copy(char *, char *, ftnlen, ftnlen);
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double sqrt(doublereal);
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/* Local variables */
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integer j;
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real t0, t1, t2, t3;
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integer kp[4];
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IGRAPH_F77_SAVE integer np0;
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integer nbx=0;
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IGRAPH_F77_SAVE integer nev0;
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extern doublereal igraphddot_(integer *, doublereal *, integer *, doublereal *,
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integer *);
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IGRAPH_F77_SAVE doublereal eps23;
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integer ierr;
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IGRAPH_F77_SAVE integer iter;
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doublereal temp;
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extern doublereal igraphdnrm2_(integer *, doublereal *, integer *);
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IGRAPH_F77_SAVE logical getv0, cnorm;
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extern /* Subroutine */ int igraphdcopy_(integer *, doublereal *, integer *,
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doublereal *, integer *);
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IGRAPH_F77_SAVE integer nconv;
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extern /* Subroutine */ int igraphdmout_(integer *, integer *, integer *,
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doublereal *, integer *, integer *, char *, ftnlen);
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IGRAPH_F77_SAVE logical initv;
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IGRAPH_F77_SAVE doublereal rnorm;
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real tmvbx=0;
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extern /* Subroutine */ int igraphdvout_(integer *, integer *, doublereal *,
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integer *, char *, ftnlen), igraphivout_(integer *, integer *, integer *
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, integer *, char *, ftnlen), igraphdgetv0_(integer *, char *, integer *
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, logical *, integer *, integer *, doublereal *, integer *,
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doublereal *, doublereal *, integer *, doublereal *, integer *);
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extern doublereal igraphdlapy2_(doublereal *, doublereal *);
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integer mnaup2=0;
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real tnaup2=0;
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extern doublereal igraphdlamch_(char *);
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extern /* Subroutine */ int igraphdneigh_(doublereal *, integer *, doublereal *,
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integer *, doublereal *, doublereal *, doublereal *, doublereal *
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, integer *, doublereal *, integer *);
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IGRAPH_F77_SAVE integer nevbef;
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extern /* Subroutine */ int igrapharscnd_(real *);
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integer logfil=6, ndigit=-3;
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extern /* Subroutine */ int igraphdnaitr_(integer *, char *, integer *, integer
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*, integer *, integer *, doublereal *, doublereal *, doublereal *,
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integer *, doublereal *, integer *, integer *, doublereal *,
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integer *);
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IGRAPH_F77_SAVE logical update;
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extern /* Subroutine */ int igraphdngets_(integer *, char *, integer *, integer
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*, doublereal *, doublereal *, doublereal *, doublereal *,
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doublereal *), igraphdnapps_(integer *, integer *, integer *,
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doublereal *, doublereal *, doublereal *, integer *, doublereal *,
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integer *, doublereal *, doublereal *, integer *, doublereal *,
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doublereal *), igraphdnconv_(integer *, doublereal *, doublereal *,
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doublereal *, doublereal *, integer *), igraphdsortc_(char *, logical *,
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integer *, doublereal *, doublereal *, doublereal *);
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IGRAPH_F77_SAVE logical ushift;
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char wprime[2];
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IGRAPH_F77_SAVE integer msglvl;
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integer nptemp;
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IGRAPH_F77_SAVE integer numcnv, kplusp;
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/* %----------------------------------------------------%
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| Include files for debugging and timing information |
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%----------------------------------------------------%
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%------------------%
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| Scalar Arguments |
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%------------------%
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%-----------------%
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| Array Arguments |
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%-----------------%
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%------------%
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| Parameters |
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%------------%
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%---------------%
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| Local Scalars |
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%---------------%
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%-----------------------%
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| Local array arguments |
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%-----------------------%
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%----------------------%
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| External Subroutines |
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%----------------------%
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%--------------------%
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| External Functions |
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%--------------------%
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%---------------------%
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| Intrinsic Functions |
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%---------------------%
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%-----------------------%
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| Executable Statements |
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%-----------------------%
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Parameter adjustments */
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--workd;
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--resid;
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--workl;
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--bounds;
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--ritzi;
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--ritzr;
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v_dim1 = *ldv;
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v_offset = 1 + v_dim1;
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v -= v_offset;
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h_dim1 = *ldh;
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h_offset = 1 + h_dim1;
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h__ -= h_offset;
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q_dim1 = *ldq;
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q_offset = 1 + q_dim1;
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q -= q_offset;
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--ipntr;
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/* Function Body */
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if (*ido == 0) {
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igrapharscnd_(&t0);
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msglvl = mnaup2;
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/* %-------------------------------------%
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| Get the machine dependent constant. |
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%-------------------------------------% */
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eps23 = igraphdlamch_("Epsilon-Machine");
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eps23 = pow_dd(&eps23, &c_b3);
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nev0 = *nev;
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np0 = *np;
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/* %-------------------------------------%
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| kplusp is the bound on the largest |
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| Lanczos factorization built. |
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| nconv is the current number of |
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| "converged" eigenvlues. |
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| iter is the counter on the current |
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| iteration step. |
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%-------------------------------------% */
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kplusp = *nev + *np;
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nconv = 0;
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iter = 0;
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/* %---------------------------------------%
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| Set flags for computing the first NEV |
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| steps of the Arnoldi factorization. |
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%---------------------------------------% */
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getv0 = TRUE_;
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update = FALSE_;
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ushift = FALSE_;
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cnorm = FALSE_;
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if (*info != 0) {
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/* %--------------------------------------------%
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| User provides the initial residual vector. |
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%--------------------------------------------% */
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initv = TRUE_;
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*info = 0;
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} else {
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initv = FALSE_;
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}
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}
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/* %---------------------------------------------%
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| Get a possibly random starting vector and |
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| force it into the range of the operator OP. |
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%---------------------------------------------%
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L10: */
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if (getv0) {
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igraphdgetv0_(ido, bmat, &c__1, &initv, n, &c__1, &v[v_offset], ldv, &resid[
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1], &rnorm, &ipntr[1], &workd[1], info);
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if (*ido != 99) {
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goto L9000;
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}
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if (rnorm == 0.) {
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/* %-----------------------------------------%
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| The initial vector is zero. Error exit. |
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%-----------------------------------------% */
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*info = -9;
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goto L1100;
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}
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getv0 = FALSE_;
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*ido = 0;
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}
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/* %-----------------------------------%
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| Back from reverse communication : |
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| continue with update step |
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%-----------------------------------% */
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if (update) {
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goto L20;
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}
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/* %-------------------------------------------%
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| Back from computing user specified shifts |
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%-------------------------------------------% */
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if (ushift) {
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goto L50;
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}
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/* %-------------------------------------%
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| Back from computing residual norm |
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| at the end of the current iteration |
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%-------------------------------------% */
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if (cnorm) {
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goto L100;
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}
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/* %----------------------------------------------------------%
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| Compute the first NEV steps of the Arnoldi factorization |
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%----------------------------------------------------------% */
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igraphdnaitr_(ido, bmat, n, &c__0, nev, mode, &resid[1], &rnorm, &v[v_offset],
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ldv, &h__[h_offset], ldh, &ipntr[1], &workd[1], info);
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/* %---------------------------------------------------%
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| ido .ne. 99 implies use of reverse communication |
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| to compute operations involving OP and possibly B |
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%---------------------------------------------------% */
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if (*ido != 99) {
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goto L9000;
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}
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if (*info > 0) {
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*np = *info;
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*mxiter = iter;
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*info = -9999;
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goto L1200;
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}
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/* %--------------------------------------------------------------%
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| |
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| M A I N ARNOLDI I T E R A T I O N L O O P |
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| Each iteration implicitly restarts the Arnoldi |
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| factorization in place. |
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| |
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%--------------------------------------------------------------% */
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L1000:
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++iter;
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if (msglvl > 0) {
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igraphivout_(&logfil, &c__1, &iter, &ndigit, "_naup2: **** Start of major "
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"iteration number ****", (ftnlen)49);
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}
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/* %-----------------------------------------------------------%
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| Compute NP additional steps of the Arnoldi factorization. |
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| Adjust NP since NEV might have been updated by last call |
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| to the shift application routine dnapps . |
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%-----------------------------------------------------------% */
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*np = kplusp - *nev;
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if (msglvl > 1) {
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igraphivout_(&logfil, &c__1, nev, &ndigit, "_naup2: The length of the curr"
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"ent Arnoldi factorization", (ftnlen)55);
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igraphivout_(&logfil, &c__1, np, &ndigit, "_naup2: Extend the Arnoldi fact"
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"orization by", (ftnlen)43);
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}
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/* %-----------------------------------------------------------%
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| Compute NP additional steps of the Arnoldi factorization. |
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%-----------------------------------------------------------% */
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*ido = 0;
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L20:
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update = TRUE_;
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igraphdnaitr_(ido, bmat, n, nev, np, mode, &resid[1], &rnorm, &v[v_offset], ldv,
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&h__[h_offset], ldh, &ipntr[1], &workd[1], info);
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/* %---------------------------------------------------%
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| ido .ne. 99 implies use of reverse communication |
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| to compute operations involving OP and possibly B |
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%---------------------------------------------------% */
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if (*ido != 99) {
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goto L9000;
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}
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if (*info > 0) {
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*np = *info;
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*mxiter = iter;
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*info = -9999;
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goto L1200;
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}
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update = FALSE_;
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if (msglvl > 1) {
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igraphdvout_(&logfil, &c__1, &rnorm, &ndigit, "_naup2: Corresponding B-nor"
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"m of the residual", (ftnlen)44);
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}
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/* %--------------------------------------------------------%
|
|
| Compute the eigenvalues and corresponding error bounds |
|
|
| of the current upper Hessenberg matrix. |
|
|
%--------------------------------------------------------% */
|
|
|
|
igraphdneigh_(&rnorm, &kplusp, &h__[h_offset], ldh, &ritzr[1], &ritzi[1], &
|
|
bounds[1], &q[q_offset], ldq, &workl[1], &ierr);
|
|
|
|
if (ierr != 0) {
|
|
*info = -8;
|
|
goto L1200;
|
|
}
|
|
|
|
/* %----------------------------------------------------%
|
|
| Make a copy of eigenvalues and corresponding error |
|
|
| bounds obtained from dneigh . |
|
|
%----------------------------------------------------%
|
|
|
|
Computing 2nd power */
|
|
i__1 = kplusp;
|
|
igraphdcopy_(&kplusp, &ritzr[1], &c__1, &workl[i__1 * i__1 + 1], &c__1);
|
|
/* Computing 2nd power */
|
|
i__1 = kplusp;
|
|
igraphdcopy_(&kplusp, &ritzi[1], &c__1, &workl[i__1 * i__1 + kplusp + 1], &c__1)
|
|
;
|
|
/* Computing 2nd power */
|
|
i__1 = kplusp;
|
|
igraphdcopy_(&kplusp, &bounds[1], &c__1, &workl[i__1 * i__1 + (kplusp << 1) + 1]
|
|
, &c__1);
|
|
|
|
/* %---------------------------------------------------%
|
|
| Select the wanted Ritz values and their bounds |
|
|
| to be used in the convergence test. |
|
|
| The wanted part of the spectrum and corresponding |
|
|
| error bounds are in the last NEV loc. of RITZR, |
|
|
| RITZI and BOUNDS respectively. The variables NEV |
|
|
| and NP may be updated if the NEV-th wanted Ritz |
|
|
| value has a non zero imaginary part. In this case |
|
|
| NEV is increased by one and NP decreased by one. |
|
|
| NOTE: The last two arguments of dngets are no |
|
|
| longer used as of version 2.1. |
|
|
%---------------------------------------------------% */
|
|
|
|
*nev = nev0;
|
|
*np = np0;
|
|
numcnv = *nev;
|
|
igraphdngets_(ishift, which, nev, np, &ritzr[1], &ritzi[1], &bounds[1], &workl[
|
|
1], &workl[*np + 1]);
|
|
if (*nev == nev0 + 1) {
|
|
numcnv = nev0 + 1;
|
|
}
|
|
|
|
/* %-------------------%
|
|
| Convergence test. |
|
|
%-------------------% */
|
|
|
|
igraphdcopy_(nev, &bounds[*np + 1], &c__1, &workl[(*np << 1) + 1], &c__1);
|
|
igraphdnconv_(nev, &ritzr[*np + 1], &ritzi[*np + 1], &workl[(*np << 1) + 1],
|
|
tol, &nconv);
|
|
|
|
if (msglvl > 2) {
|
|
kp[0] = *nev;
|
|
kp[1] = *np;
|
|
kp[2] = numcnv;
|
|
kp[3] = nconv;
|
|
igraphivout_(&logfil, &c__4, kp, &ndigit, "_naup2: NEV, NP, NUMCNV, NCONV "
|
|
"are", (ftnlen)34);
|
|
igraphdvout_(&logfil, &kplusp, &ritzr[1], &ndigit, "_naup2: Real part of t"
|
|
"he eigenvalues of H", (ftnlen)41);
|
|
igraphdvout_(&logfil, &kplusp, &ritzi[1], &ndigit, "_naup2: Imaginary part"
|
|
" of the eigenvalues of H", (ftnlen)46);
|
|
igraphdvout_(&logfil, &kplusp, &bounds[1], &ndigit, "_naup2: Ritz estimate"
|
|
"s of the current NCV Ritz values", (ftnlen)53);
|
|
}
|
|
|
|
/* %---------------------------------------------------------%
|
|
| Count the number of unwanted Ritz values that have zero |
|
|
| Ritz estimates. If any Ritz estimates are equal to zero |
|
|
| then a leading block of H of order equal to at least |
|
|
| the number of Ritz values with zero Ritz estimates has |
|
|
| split off. None of these Ritz values may be removed by |
|
|
| shifting. Decrease NP the number of shifts to apply. If |
|
|
| no shifts may be applied, then prepare to exit |
|
|
%---------------------------------------------------------% */
|
|
|
|
nptemp = *np;
|
|
i__1 = nptemp;
|
|
for (j = 1; j <= i__1; ++j) {
|
|
if (bounds[j] == 0.) {
|
|
--(*np);
|
|
++(*nev);
|
|
}
|
|
/* L30: */
|
|
}
|
|
|
|
if (nconv >= numcnv || iter > *mxiter || *np == 0) {
|
|
|
|
if (msglvl > 4) {
|
|
/* Computing 2nd power */
|
|
i__1 = kplusp;
|
|
igraphdvout_(&logfil, &kplusp, &workl[i__1 * i__1 + 1], &ndigit, "_nau"
|
|
"p2: Real part of the eig computed by _neigh:", (ftnlen)48)
|
|
;
|
|
/* Computing 2nd power */
|
|
i__1 = kplusp;
|
|
igraphdvout_(&logfil, &kplusp, &workl[i__1 * i__1 + kplusp + 1], &
|
|
ndigit, "_naup2: Imag part of the eig computed by _neigh:"
|
|
, (ftnlen)48);
|
|
/* Computing 2nd power */
|
|
i__1 = kplusp;
|
|
igraphdvout_(&logfil, &kplusp, &workl[i__1 * i__1 + (kplusp << 1) + 1],
|
|
&ndigit, "_naup2: Ritz eistmates computed by _neigh:", (
|
|
ftnlen)42);
|
|
}
|
|
|
|
/* %------------------------------------------------%
|
|
| Prepare to exit. Put the converged Ritz values |
|
|
| and corresponding bounds in RITZ(1:NCONV) and |
|
|
| BOUNDS(1:NCONV) respectively. Then sort. Be |
|
|
| careful when NCONV > NP |
|
|
%------------------------------------------------%
|
|
|
|
%------------------------------------------%
|
|
| Use h( 3,1 ) as storage to communicate |
|
|
| rnorm to _neupd if needed |
|
|
%------------------------------------------% */
|
|
h__[h_dim1 + 3] = rnorm;
|
|
|
|
/* %----------------------------------------------%
|
|
| To be consistent with dngets , we first do a |
|
|
| pre-processing sort in order to keep complex |
|
|
| conjugate pairs together. This is similar |
|
|
| to the pre-processing sort used in dngets |
|
|
| except that the sort is done in the opposite |
|
|
| order. |
|
|
%----------------------------------------------% */
|
|
|
|
if (s_cmp(which, "LM", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "SR", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
if (s_cmp(which, "SM", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "LR", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
if (s_cmp(which, "LR", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "SM", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
if (s_cmp(which, "SR", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "LM", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
if (s_cmp(which, "LI", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "SM", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
if (s_cmp(which, "SI", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "LM", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
|
|
igraphdsortc_(wprime, &c_true, &kplusp, &ritzr[1], &ritzi[1], &bounds[1]);
|
|
|
|
/* %----------------------------------------------%
|
|
| Now sort Ritz values so that converged Ritz |
|
|
| values appear within the first NEV locations |
|
|
| of ritzr, ritzi and bounds, and the most |
|
|
| desired one appears at the front. |
|
|
%----------------------------------------------% */
|
|
|
|
if (s_cmp(which, "LM", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "SM", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
if (s_cmp(which, "SM", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "LM", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
if (s_cmp(which, "LR", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "SR", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
if (s_cmp(which, "SR", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "LR", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
if (s_cmp(which, "LI", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "SI", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
if (s_cmp(which, "SI", (ftnlen)2, (ftnlen)2) == 0) {
|
|
s_copy(wprime, "LI", (ftnlen)2, (ftnlen)2);
|
|
}
|
|
|
|
igraphdsortc_(wprime, &c_true, &kplusp, &ritzr[1], &ritzi[1], &bounds[1]);
|
|
|
|
/* %--------------------------------------------------%
|
|
| Scale the Ritz estimate of each Ritz value |
|
|
| by 1 / max(eps23,magnitude of the Ritz value). |
|
|
%--------------------------------------------------% */
|
|
|
|
i__1 = numcnv;
|
|
for (j = 1; j <= i__1; ++j) {
|
|
/* Computing MAX */
|
|
d__1 = eps23, d__2 = igraphdlapy2_(&ritzr[j], &ritzi[j]);
|
|
temp = max(d__1,d__2);
|
|
bounds[j] /= temp;
|
|
/* L35: */
|
|
}
|
|
|
|
/* %----------------------------------------------------%
|
|
| Sort the Ritz values according to the scaled Ritz |
|
|
| esitmates. This will push all the converged ones |
|
|
| towards the front of ritzr, ritzi, bounds |
|
|
| (in the case when NCONV < NEV.) |
|
|
%----------------------------------------------------% */
|
|
|
|
s_copy(wprime, "LR", (ftnlen)2, (ftnlen)2);
|
|
igraphdsortc_(wprime, &c_true, &numcnv, &bounds[1], &ritzr[1], &ritzi[1]);
|
|
|
|
/* %----------------------------------------------%
|
|
| Scale the Ritz estimate back to its original |
|
|
| value. |
|
|
%----------------------------------------------% */
|
|
|
|
i__1 = numcnv;
|
|
for (j = 1; j <= i__1; ++j) {
|
|
/* Computing MAX */
|
|
d__1 = eps23, d__2 = igraphdlapy2_(&ritzr[j], &ritzi[j]);
|
|
temp = max(d__1,d__2);
|
|
bounds[j] *= temp;
|
|
/* L40: */
|
|
}
|
|
|
|
/* %------------------------------------------------%
|
|
| Sort the converged Ritz values again so that |
|
|
| the "threshold" value appears at the front of |
|
|
| ritzr, ritzi and bound. |
|
|
%------------------------------------------------% */
|
|
|
|
igraphdsortc_(which, &c_true, &nconv, &ritzr[1], &ritzi[1], &bounds[1]);
|
|
|
|
if (msglvl > 1) {
|
|
igraphdvout_(&logfil, &kplusp, &ritzr[1], &ndigit, "_naup2: Sorted rea"
|
|
"l part of the eigenvalues", (ftnlen)43);
|
|
igraphdvout_(&logfil, &kplusp, &ritzi[1], &ndigit, "_naup2: Sorted ima"
|
|
"ginary part of the eigenvalues", (ftnlen)48);
|
|
igraphdvout_(&logfil, &kplusp, &bounds[1], &ndigit, "_naup2: Sorted ri"
|
|
"tz estimates.", (ftnlen)30);
|
|
}
|
|
|
|
/* %------------------------------------%
|
|
| Max iterations have been exceeded. |
|
|
%------------------------------------% */
|
|
|
|
if (iter > *mxiter && nconv < numcnv) {
|
|
*info = 1;
|
|
}
|
|
|
|
/* %---------------------%
|
|
| No shifts to apply. |
|
|
%---------------------% */
|
|
|
|
if (*np == 0 && nconv < numcnv) {
|
|
*info = 2;
|
|
}
|
|
|
|
*np = nconv;
|
|
goto L1100;
|
|
|
|
} else if (nconv < numcnv && *ishift == 1) {
|
|
|
|
/* %-------------------------------------------------%
|
|
| Do not have all the requested eigenvalues yet. |
|
|
| To prevent possible stagnation, adjust the size |
|
|
| of NEV. |
|
|
%-------------------------------------------------% */
|
|
|
|
nevbef = *nev;
|
|
/* Computing MIN */
|
|
i__1 = nconv, i__2 = *np / 2;
|
|
*nev += min(i__1,i__2);
|
|
if (*nev == 1 && kplusp >= 6) {
|
|
*nev = kplusp / 2;
|
|
} else if (*nev == 1 && kplusp > 3) {
|
|
*nev = 2;
|
|
}
|
|
/* %---- Scipy fix ------------------------------------------------
|
|
| We must keep nev below this value, as otherwise we can get
|
|
| np == 0 (note that dngets below can bump nev by 1). If np == 0,
|
|
| the next call to `dnaitr` will write out-of-bounds.
|
|
| */
|
|
if (*nev > kplusp - 2) {
|
|
*nev = kplusp - 2;
|
|
}
|
|
/* |
|
|
%---- Scipy fix end -------------------------------------------- */
|
|
|
|
*np = kplusp - *nev;
|
|
|
|
/* %---------------------------------------%
|
|
| If the size of NEV was just increased |
|
|
| resort the eigenvalues. |
|
|
%---------------------------------------% */
|
|
|
|
if (nevbef < *nev) {
|
|
igraphdngets_(ishift, which, nev, np, &ritzr[1], &ritzi[1], &bounds[1],
|
|
&workl[1], &workl[*np + 1]);
|
|
}
|
|
|
|
}
|
|
|
|
if (msglvl > 0) {
|
|
igraphivout_(&logfil, &c__1, &nconv, &ndigit, "_naup2: no. of \"converge"
|
|
"d\" Ritz values at this iter.", (ftnlen)52);
|
|
if (msglvl > 1) {
|
|
kp[0] = *nev;
|
|
kp[1] = *np;
|
|
igraphivout_(&logfil, &c__2, kp, &ndigit, "_naup2: NEV and NP are", (
|
|
ftnlen)22);
|
|
igraphdvout_(&logfil, nev, &ritzr[*np + 1], &ndigit, "_naup2: \"wante"
|
|
"d\" Ritz values -- real part", (ftnlen)41);
|
|
igraphdvout_(&logfil, nev, &ritzi[*np + 1], &ndigit, "_naup2: \"wante"
|
|
"d\" Ritz values -- imag part", (ftnlen)41);
|
|
igraphdvout_(&logfil, nev, &bounds[*np + 1], &ndigit, "_naup2: Ritz es"
|
|
"timates of the \"wanted\" values ", (ftnlen)46);
|
|
}
|
|
}
|
|
|
|
if (*ishift == 0) {
|
|
|
|
/* %-------------------------------------------------------%
|
|
| User specified shifts: reverse communication to |
|
|
| compute the shifts. They are returned in the first |
|
|
| 2*NP locations of WORKL. |
|
|
%-------------------------------------------------------% */
|
|
|
|
ushift = TRUE_;
|
|
*ido = 3;
|
|
goto L9000;
|
|
}
|
|
|
|
L50:
|
|
|
|
/* %------------------------------------%
|
|
| Back from reverse communication; |
|
|
| User specified shifts are returned |
|
|
| in WORKL(1:2*NP) |
|
|
%------------------------------------% */
|
|
|
|
ushift = FALSE_;
|
|
|
|
if (*ishift == 0) {
|
|
|
|
/* %----------------------------------%
|
|
| Move the NP shifts from WORKL to |
|
|
| RITZR, RITZI to free up WORKL |
|
|
| for non-exact shift case. |
|
|
%----------------------------------% */
|
|
|
|
igraphdcopy_(np, &workl[1], &c__1, &ritzr[1], &c__1);
|
|
igraphdcopy_(np, &workl[*np + 1], &c__1, &ritzi[1], &c__1);
|
|
}
|
|
|
|
if (msglvl > 2) {
|
|
igraphivout_(&logfil, &c__1, np, &ndigit, "_naup2: The number of shifts to"
|
|
" apply ", (ftnlen)38);
|
|
igraphdvout_(&logfil, np, &ritzr[1], &ndigit, "_naup2: Real part of the sh"
|
|
"ifts", (ftnlen)31);
|
|
igraphdvout_(&logfil, np, &ritzi[1], &ndigit, "_naup2: Imaginary part of t"
|
|
"he shifts", (ftnlen)36);
|
|
if (*ishift == 1) {
|
|
igraphdvout_(&logfil, np, &bounds[1], &ndigit, "_naup2: Ritz estimates"
|
|
" of the shifts", (ftnlen)36);
|
|
}
|
|
}
|
|
|
|
/* %---------------------------------------------------------%
|
|
| Apply the NP implicit shifts by QR bulge chasing. |
|
|
| Each shift is applied to the whole upper Hessenberg |
|
|
| matrix H. |
|
|
| The first 2*N locations of WORKD are used as workspace. |
|
|
%---------------------------------------------------------% */
|
|
|
|
igraphdnapps_(n, nev, np, &ritzr[1], &ritzi[1], &v[v_offset], ldv, &h__[
|
|
h_offset], ldh, &resid[1], &q[q_offset], ldq, &workl[1], &workd[1]
|
|
);
|
|
|
|
/* %---------------------------------------------%
|
|
| Compute the B-norm of the updated residual. |
|
|
| Keep B*RESID in WORKD(1:N) to be used in |
|
|
| the first step of the next call to dnaitr . |
|
|
%---------------------------------------------% */
|
|
|
|
cnorm = TRUE_;
|
|
igrapharscnd_(&t2);
|
|
if (*(unsigned char *)bmat == 'G') {
|
|
++nbx;
|
|
igraphdcopy_(n, &resid[1], &c__1, &workd[*n + 1], &c__1);
|
|
ipntr[1] = *n + 1;
|
|
ipntr[2] = 1;
|
|
*ido = 2;
|
|
|
|
/* %----------------------------------%
|
|
| Exit in order to compute B*RESID |
|
|
%----------------------------------% */
|
|
|
|
goto L9000;
|
|
} else if (*(unsigned char *)bmat == 'I') {
|
|
igraphdcopy_(n, &resid[1], &c__1, &workd[1], &c__1);
|
|
}
|
|
|
|
L100:
|
|
|
|
/* %----------------------------------%
|
|
| Back from reverse communication; |
|
|
| WORKD(1:N) := B*RESID |
|
|
%----------------------------------% */
|
|
|
|
if (*(unsigned char *)bmat == 'G') {
|
|
igrapharscnd_(&t3);
|
|
tmvbx += t3 - t2;
|
|
}
|
|
|
|
if (*(unsigned char *)bmat == 'G') {
|
|
rnorm = igraphddot_(n, &resid[1], &c__1, &workd[1], &c__1);
|
|
rnorm = sqrt((abs(rnorm)));
|
|
} else if (*(unsigned char *)bmat == 'I') {
|
|
rnorm = igraphdnrm2_(n, &resid[1], &c__1);
|
|
}
|
|
cnorm = FALSE_;
|
|
|
|
if (msglvl > 2) {
|
|
igraphdvout_(&logfil, &c__1, &rnorm, &ndigit, "_naup2: B-norm of residual "
|
|
"for compressed factorization", (ftnlen)55);
|
|
igraphdmout_(&logfil, nev, nev, &h__[h_offset], ldh, &ndigit, "_naup2: Com"
|
|
"pressed upper Hessenberg matrix H", (ftnlen)44);
|
|
}
|
|
|
|
goto L1000;
|
|
|
|
/* %---------------------------------------------------------------%
|
|
| |
|
|
| E N D O F M A I N I T E R A T I O N L O O P |
|
|
| |
|
|
%---------------------------------------------------------------% */
|
|
|
|
L1100:
|
|
|
|
*mxiter = iter;
|
|
*nev = numcnv;
|
|
|
|
L1200:
|
|
*ido = 99;
|
|
|
|
/* %------------%
|
|
| Error Exit |
|
|
%------------% */
|
|
|
|
igrapharscnd_(&t1);
|
|
tnaup2 = t1 - t0;
|
|
|
|
L9000:
|
|
|
|
/* %---------------%
|
|
| End of dnaup2 |
|
|
%---------------% */
|
|
|
|
return 0;
|
|
} /* igraphdnaup2_ */
|
|
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