c \BeginDoc c c \Name: dnband c c \Description: c c This subroutine returns the converged approximations to eigenvalues c of A*z = lambda*B*z and (optionally): c c (1) The corresponding approximate eigenvectors; c c (2) An orthonormal basis for the associated approximate c invariant subspace; c c (3) Both. c c Matrices A and B are stored in LAPACK-style banded form. c c There is negligible additional cost to obtain eigenvectors. An orthonormal c basis is always computed. There is an additional storage cost of n*nev c if both are requested (in this case a separate array Z must be supplied). c c The approximate eigenvalues and vectors are commonly called Ritz c values and Ritz vectors respectively. They are referred to as such c in the comments that follow. The computed orthonormal basis for the c invariant subspace corresponding to these Ritz values is referred to as a c Schur basis. c c dnband can be called with one of the following modes: c c Mode 1: A*z = lambda*z. c ===> OP = A and B = I. c c Mode 2: A*z = lambda*M*z, M symmetric positive definite c ===> OP = inv[M]*A and B = M. c c Mode 3: A*z = lambda*M*z, M symmetric semi-definite c ===> OP = Real_Part{ inv[A - sigma*M]*M } and B = M. c ===> shift-and-invert mode (in real arithmetic) c If OP*z = amu*z, then c amu = 1/2 * [ 1/(lambda-sigma) + 1/(lambda-conjg(sigma)) ]. c Note: If sigma is real, i.e. imaginary part of sigma is zero; c Real_Part{ inv[A - sigma*M]*M } == inv[A - sigma*M]*M c amu == 1/(lambda-sigma). c c Mode 4: A*z = lambda*M*z, M symmetric semi-definite c ===> OP = Imaginary_Part{ inv[A - sigma*M]*M } and B = M. c ===> shift-and-invert mode (in real arithmetic) c If OP*z = amu*z, then c amu = 1/2i * [ 1/(lambda-sigma) - 1/(lambda-conjg(sigma)) ]. c c c The choice of mode must be specified in IPARAM(7) defined below. c c \Usage c call dnband c ( RVEC, HOWMNY, SELECT, DR, DI, Z, LDZ, SIGMAR, SIGMAI, c WORKEV, V, N, AB, MB, LDA, RFAC, CFAC, KL, KU, WHICH, c BMAT, NEV, TOL, RESID, NCV, V, LDV, IPARAM, WORKD, c WORKL, LWORKL, WORKC, IWORK, INFO ) c c \Arguments c c RVEC LOGICAL (INPUT) c Specifies whether a basis for the invariant subspace corresponding c to the converged Ritz value approximations for the eigenproblem c A*z = lambda*B*z is computed. c c RVEC = .FALSE. Compute Ritz values only. c c RVEC = .TRUE. Compute the Ritz vectors or Schur vectors. c See Remarks below. c c HOWMNY Character*1 (INPUT) c Specifies the form of the basis for the invariant subspace c corresponding to the converged Ritz values that is to be computed. c c = 'A': Compute NEV Ritz vectors; c = 'P': Compute NEV Schur vectors; c = 'S': compute some of the Ritz vectors, specified c by the logical array SELECT. c c SELECT Logical array of dimension NCV. (INPUT) c If HOWMNY = 'S', SELECT specifies the Ritz vectors to be c computed. To select the Ritz vector corresponding to a c Ritz value (DR(j), DI(j)), SELECT(j) must be set to .TRUE.. c If HOWMNY = 'A' or 'P', SELECT is used as internal workspace. c c DR Double precision array of dimension NEV+1. (OUTPUT) c On exit, DR contains the real part of the Ritz value approximations c to the eigenvalues of A*z = lambda*B*z. c c DI Double precision array of dimension NEV+1. (OUTPUT) c On exit, DI contains the imaginary part of the Ritz value c approximations to the eigenvalues of A*z = lambda*B*z associated c with DR. c c NOTE: When Ritz values are complex, they will come in complex c conjugate pairs. If eigenvectors are requested, the c corresponding Ritz vectors will also come in conjugate c pairs and the real and imaginary parts of these are c represented in two consecutive columns of the array Z c (see below). c c Z Real N by NEV+1 array if RVEC = .TRUE. and HOWMNY = 'A'. (OUTPUT) c On exit, c if RVEC = .TRUE. and HOWMNY = 'A', then the columns of c Z represent approximate eigenvectors (Ritz vectors) corresponding c to the NCONV=IPARAM(5) Ritz values for eigensystem c A*z = lambda*B*z computed by DNAUPD. c c The complex Ritz vector associated with the Ritz value c with positive imaginary part is stored in two consecutive c columns. The first column holds the real part of the Ritz c vector and the second column holds the imaginary part. The c Ritz vector associated with the Ritz value with negative c imaginary part is simply the complex conjugate of the Ritz vector c associated with the positive imaginary part. c c If RVEC = .FALSE. or HOWMNY = 'P', then Z is not referenced. c c NOTE: If if RVEC = .TRUE. and a Schur basis is not required, c the array Z may be set equal to first NEV+1 columns of the Arnoldi c basis array V computed by DNAUPD. In this case the Arnoldi basis c will be destroyed and overwritten with the eigenvector basis. c c LDZ Integer. (INPUT) c The leading dimension of the array Z. If Ritz vectors are c desired, then LDZ >= max( 1, N ). In any case, LDZ >= 1. c c SIGMAR Double precision (INPUT) c If IPARAM(7) = 3 or 4, represents the real part of the shift. c Not referenced if IPARAM(7) = 1 or 2. c c SIGMAI Double precision (INPUT) c If IPARAM(7) = 3 or 4, represents the imaginary part of the c shift. c Not referenced if IPARAM(7) = 1 or 2. c c WORKEV Double precision work array of dimension 3*NCV. (WORKSPACE) c c N Integer. (INPUT) c Dimension of the eigenproblem. c c AB Double precision array of dimension LDA by N. (INPUT) c The matrix A in band storage, in rows KL+1 to c 2*KL+KU+1; rows 1 to KL of the array need not be set. c The j-th column of A is stored in the j-th column of the c array AB as follows: c AB(kl+ku+1+i-j,j) = A(i,j) for max(1,j-ku)<=i<=min(m,j+kl) c c MB Double precision array of dimension LDA by N. (INPUT) c The matrix M in band storage, in rows KL+1 to c 2*KL+KU+1; rows 1 to KL of the array need not be set. c The j-th column of M is stored in the j-th column of the c array AB as follows: c MB(kl+ku+1+i-j,j) = M(i,j) for max(1,j-ku)<=i<=min(m,j+kl) c Not referenced if IPARAM(7) = 1 c c LDA Integer. (INPUT) c Leading dimension of AB, MB, RFAC and CFAC. c c RFAC Double precision array of LDA by N. (WORKSPACE/OUTPUT) c RFAC is used to store the LU factors of MB when IPARAM(7) = 2 c is invoked. It is used to store the LU factors of c (A-sigma*M) when IPARAM(7) = 3 is invoked with a real shift. c It is not referenced when IPARAM(7) = 1 or 4. c c CFAC Complex*16 array of LDA by N. (WORKSPACE/OUTPUT) c CFAC is used to store (A-SIGMA*M) and its LU factors c when IPARAM(7) = 3 or 4 are used with a complex shift SIGMA. c On exit, it contains the LU factors of (A-SIGMA*M). c It is not referenced when IPARAM(7) = 1 or 2. c c KL Integer. (INPUT) c Max(number of subdiagonals of A, number of subdiagonals of M) c c KU Integer. (OUTPUT) c Max(number of superdiagonals of A, number of superdiagonals of M) c c WHICH Character*2. (INPUT) c When IPARAM(7)= 1 or 2, WHICH can be set to any one of c the following. c c 'LM' -> want the NEV eigenvalues of largest magnitude. c 'SM' -> want the NEV eigenvalues of smallest magnitude. c 'LR' -> want the NEV eigenvalues of largest real part. c 'SR' -> want the NEV eigenvalues of smallest real part. c 'LI' -> want the NEV eigenvalues of largest imaginary part. c 'SI' -> want the NEV eigenvalues of smallest imaginary part. c c When IPARAM(7) = 3 or 4, WHICH should be set to 'LM' only. c c BMAT Character*1. (INPUT) c BMAT specifies the type of the matrix B that defines the c semi-inner product for the operator OP. c BMAT = 'I' -> standard eigenvalue problem A*z = lambda*z c BMAT = 'G' -> generalized eigenvalue problem A*z = lambda*M*z c NEV Integer. (INPUT) c Number of eigenvalues to be computed. c c TOL Double precision scalar. (INPUT) c Stopping criteria: the relative accuracy of the Ritz value c is considered acceptable if BOUNDS(I) .LE. TOL*ABS(RITZ(I)). c If TOL .LE. 0. is passed a default is set: c DEFAULT = DLAMCH('EPS') (machine precision as computed c by the LAPACK auxiliary subroutine DLAMCH). c c RESID Double precision array of length N. (INPUT/OUTPUT) c On INPUT: c If INFO .EQ. 0, a random initial residual vector is used. c If INFO .NE. 0, RESID contains the initial residual vector, c possibly from a previous run. c On OUTPUT: c RESID contains the final residual vector. c c NCV Integer. (INPUT) c Number of columns of the matrix V (less than or equal to N). c Represents the dimension of the Arnoldi basis constructed c by dnaupd for OP. c c V Double precision array N by NCV+1. (OUTPUT) c Upon OUTPUT: If RVEC = .TRUE. the first NCONV=IPARAM(5) columns c represent approximate Schur vectors that span the c desired invariant subspace. c NOTE: The array Z may be set equal to first NEV+1 columns of the c Arnoldi basis vector array V computed by DNAUPD. In this case c if RVEC = .TRUE. and HOWMNY='A', then the first NCONV=IPARAM(5) c are the desired Ritz vectors. c c LDV Integer. (INPUT) c Leading dimension of V exactly as declared in the calling c program. c c IPARAM Integer array of length 11. (INPUT/OUTPUT) c IPARAM(1) = ISHIFT: c The shifts selected at each iteration are used to restart c the Arnoldi iteration in an implicit fashion. c It is set to 1 in this subroutine. The user do not need c to set this parameter. c ---------------------------------------------------------- c ISHIFT = 1: exact shift with respect to the current c Hessenberg matrix H. This is equivalent to c restarting the iteration from the beginning c after updating the starting vector with a linear c combination of Ritz vectors associated with the c "wanted" eigenvalues. c ------------------------------------------------------------- c c IPARAM(2) = No longer referenced. c c IPARAM(3) = MXITER c On INPUT: max number of Arnoldi update iterations allowed. c On OUTPUT: actual number of Arnoldi update iterations taken. c c IPARAM(4) = NB: blocksize to be used in the recurrence. c The code currently works only for NB = 1. c c IPARAM(5) = NCONV: number of "converged" eigenvalues. c c IPARAM(6) = IUPD c Not referenced. Implicit restarting is ALWAYS used. c c IPARAM(7) = IPARAM(7): c On INPUT determines what type of eigenproblem is being solved. c Must be 1,2,3,4; See under \Description of dnband for the c four modes available. c c IPARAM(9) = NUMOP, IPARAM(10) = NUMOPB, IPARAM(11) = NUMREO, c OUTPUT: NUMOP = total number of OP*z operations, c NUMOPB = total number of B*z operations if BMAT='G', c NUMREO = total number of steps of re-orthogonalization. c c WORKD Double precision work array of length at least 3*n. (WORKSPACE) c c WORKL Double precision work array of length LWORKL. (WORKSPACE) c c LWORKL Integer. (INPUT) c LWORKL must be at least 3*NCV**2 + 6*NCV. c c WORKC Complex*16 array of length N. (WORKSPACE) c Workspace used when IPARAM(7) = 3 or 4 for storing a temporary c complex vector. c c IWORK Integer array of dimension at least N. (WORKSPACE) c Used when IPARAM(7)=2,3,4 to store the pivot information in the c factorization of M or (A-SIGMA*M). c c INFO Integer. (INPUT/OUTPUT) c Error flag on output. c = 0: Normal exit. c = 1: The Schur form computed by LAPACK routine dlahqr c could not be reordered by LAPACK routine dtrsen. c Re-enter subroutine DNEUPD with IPARAM(5)=NCV and c increase the size of the arrays DR and DI to have c dimension at least NCV and allocate at least NCV c columns for Z. NOTE: Not necessary if Z and V share c the same space. Please notify the authors. c c = -1: N must be positive. c = -2: NEV must be positive. c = -3: NCV-NEV >= 2 and less than or equal to N. c = -5: WHICH must be one of 'LM', 'SM', 'LR', 'SR', 'LI', 'SI' c = -6: BMAT must be one of 'I' or 'G'. c = -7: Length of private work WORKL array is not sufficient. c = -8: Error return from calculation of a real Schur form. c Informational error from LAPACK routine dlahqr. c = -9: Error return from calculation of eigenvectors. c Informational error from LAPACK routine dtrevc. c = -10: IPARAM(7) must be 1,2,3,4. c = -11: IPARAM(7) = 1 and BMAT = 'G' are incompatible. c = -12: HOWMNY = 'S' not yet implemented c = -13: HOWMNY must be one of 'A' or 'P' c = -14: DNAUPD did not find any eigenvalues to sufficient c accuracy. c = -15: Overflow occurs when we try to transform the Ritz c values returned from DNAUPD to those of the original c problem using Rayleigh Quotient. c = -9999: Could not build an Arnoldi factorization. c IPARAM(5) returns the size of the current c Arnoldi factorization. c c \EndDoc c c------------------------------------------------------------------------ c c\BeginLib c c\References: c 1. D.C. Sorensen, "Implicit Application of Polynomial Filters in c a k-Step Arnoldi Method", SIAM J. Matr. Anal. Apps., 13 (1992), c pp 357-385. c c 2. R.B. Lehoucq, "Analysis and Implementation of an Implicitly c Restarted Arnoldi Iteration", Ph.D thesis, TR95-13, Rice Univ, c May 1995. c c\Routines called: c dnaupd ARPACK reverse communication interface routine. c dneupd ARPACK routine that returns Ritz values and (optionally) c Ritz vectors. c dgbtrf LAPACK band matrix factorization routine. c dgbtrs LAPACK band linear system solve routine. c zgbtrf LAPACK complex band matrix factorization routine. c zgbtrs LAPACK complex linear system solve routine. c dlacpy LAPACK matrix copy routine. c dlapy2 LAPACK routine to compute sqrt(x**2+y**2) carefully. c dlamch LAPACK routine to compute the underflow threshold. c dcopy Level 1 BLAS that copies one vector to another. c ddot Level 1 BLAS that computes the dot product of two vectors. c dnrm2 Level 1 BLAS that computes the norm of a vector. c dgbmv Level 2 BLAS that computes the band matrix vector product. c c\Remarks c c 1. Currently only HOWMNY = 'A' and 'P' are implemented. c c Let X' denote the transpose of X. c c 2. Schur vectors are an orthogonal representation for the basis of c Ritz vectors. Thus, their numerical properties are often superior. c If RVEC = .TRUE. then the relationship c A * V(:,1:IPARAM(5)) = V(:,1:IPARAM(5)) * T, and c V(:,1:IPARAM(5))' * V(:,1:IPARAM(5)) = I are approximately satisfied. c Here T is the leading submatrix of order IPARAM(5) of the real c upper quasi-triangular matrix stored workl(ipntr(12)). That is, c T is block upper triangular with 1-by-1 and 2-by-2 diagonal blocks; c each 2-by-2 diagonal block has its diagonal elements equal and its c off-diagonal elements of opposite sign. Corresponding to each 2-by-2 c diagonal block is a complex conjugate pair of Ritz values. The real c Ritz values are stored on the diagonal of T. c c\Author c Danny Sorensen c Richard Lehoucq c Chao Yang c Dept. of Computational & c Applied Mathematics c Rice University c Houston, Texas c c\SCCS Information: @(#) c FILE: nband.F SID: 2.3 DATE OF SID: 10/17/00 RELEASE: 2 c c\EndLib c c--------------------------------------------------------------------- c subroutine dnband( rvec, howmny, select, dr, di, z, ldz, sigmar, & sigmai, workev, n, ab, mb, lda, rfac, cfac, kl, ku, & which, bmat, nev, tol, resid, ncv, v, ldv, & iparam, workd, workl, lworkl, workc, iwork, info) c c %------------------% c | Scalar Arguments | c %------------------% c character which*2, bmat, howmny integer n, lda, kl, ku, nev, ncv, ldv, & ldz, lworkl, info Double precision & tol, sigmar, sigmai c c %-----------------% c | Array Arguments | c %-----------------% c integer iparam(*), iwork(*) logical select(*) Double precision & dr(*), di(*), resid(*), v(ldv,*), z(ldz,*), & ab(lda,*), mb(lda,*), rfac(lda,*), & workd(*), workl(*), workev(*) Complex*16 & cfac(lda,*), workc(*) c c %--------------% c | Local Arrays | c %--------------% c integer ipntr(14) c c %---------------% c | Local Scalars | c %---------------% c integer ido, i, j, type, imid, itop, ibot, ierr Double precision & numr, denr, deni, dmdul, safmin logical rvec, first c c %------------% c | Parameters | c %------------% c Double precision & one, zero parameter (one = 1.0D+0, zero = 0.0D+0) c c c %-----------------------------% c | LAPACK & BLAS routines used | c %-----------------------------% c Double precision & ddot, dnrm2, dlapy2, dlamch external ddot, dcopy, dgbmv, zgbtrf, zgbtrs, dgbtrf, & dgbtrs, dnrm2, dlapy2, dlacpy, dlamch c c %---------------------% c | Intrinsic Functions | c %---------------------% c Intrinsic dble, dimag, dcmplx c c %-----------------------% c | Executable Statements | c %-----------------------% c c %--------------------------------% c | safmin = safe minimum is such | c | that 1/sfmin does not overflow | c %--------------------------------% c safmin = dlamch('safmin') c c %----------------------------------------------------------------% c | Set type of the problem to be solved. Check consistency | c | between BMAT and IPARAM(7). | c | type = 1 --> Solving standard problem in regular mode. | c | type = 2 --> Solving standard problem in shift-invert mode. | c | type = 3 --> Solving generalized problem in regular mode. | c | type = 4 --> Solving generalized problem in shift-invert mode. | c | type = 5 --> Solving standard problem in shift-invert mode | c | using iparam(7) = 4 in DNAUPD. | c | type = 6 --> Solving generalized problem in shift-invert mode. | c | using iparam(7) = 4 in DNAUPD. | c %----------------------------------------------------------------% c if ( iparam(7) .eq. 1 ) then type = 1 else if ( iparam(7) .eq. 3 .and. bmat .eq. 'I') then type = 2 else if ( iparam(7) .eq. 2 ) then type = 3 else if ( iparam(7) .eq. 3 .and. bmat .eq. 'G') then type = 4 else if ( iparam(7) .eq. 4 .and. bmat .eq. 'I') then type = 5 else if ( iparam(7) .eq. 4 .and. bmat .eq. 'G') then type = 6 else print*, ' ' print*, 'BMAT is inconsistent with IPARAM(7).' print*, ' ' go to 9000 end if c c %----------------------------------% c | When type = 5,6 are used, sigmai | c | must be nonzero. | c %----------------------------------% c if ( type .eq. 5 .or. type .eq. 6 ) then if ( sigmai .eq. zero ) then print*, ' ' print*, '_NBAND: sigmai must be nonzero when type 5 or 6 & is used. ' print*, ' ' go to 9000 end if end if c c %------------------------% c | Initialize the reverse | c | communication flag. | c %------------------------% c ido = 0 c c %----------------% c | Exact shift is | c | used. | c %----------------% c iparam(1) = 1 c c %-----------------------------------% c | Both matrices A and M are stored | c | between rows itop and ibot. Imid | c | is the index of the row that | c | stores the diagonal elements. | c %-----------------------------------% c itop = kl + 1 imid = kl + ku + 1 ibot = 2*kl + ku + 1 c if ( type .eq. 2 .or. type .eq. 5 ) then c c %-------------------------------% c | Solving a standard eigenvalue | c | problem in shift-invert mode. | c | Factor (A-sigma*I). | c %-------------------------------% c if (sigmai .eq. zero) then c c %-----------------------------------% c | Construct (A-sigmar*I) and factor | c | in real arithmetic. | c %-----------------------------------% c call dlacpy ('A', ibot, n, ab, lda, rfac, lda ) do 10 j = 1, n rfac(imid,j) = ab(imid,j) - sigmar 10 continue call dgbtrf(n, n, kl, ku, rfac, lda, iwork, ierr ) if (ierr .ne. 0) then print*, ' ' print*, ' _NBAND: Error with _gbtrf. ' print*, ' ' go to 9000 end if c else c c %-----------------------------------% c | Construct (A-sigmar*I) and factor | c | in COMPLEX arithmetic. | c %-----------------------------------% c do 30 j = 1, n do 20 i = itop, ibot cfac(i,j) = dcmplx(ab(i,j)) 20 continue 30 continue c do 40 j = 1, n cfac(imid,j) = cfac(imid,j) $ - dcmplx(sigmar, sigmai) 40 continue c call zgbtrf(n, n, kl, ku, cfac, lda, iwork, ierr ) if ( ierr .ne. 0) then print*, ' ' print*, ' _NBAND: Error with _gbtrf. ' print*, ' ' go to 9000 end if c end if else if ( type .eq. 3 ) then c c %-----------------------------------------------% c | Solving generalized eigenvalue problem in | c | regular mode. Copy M to rfac, and call LAPACK | c | routine dgbtrf to factor M. | c %-----------------------------------------------% c call dlacpy ('A', ibot, n, mb, lda, rfac, lda ) call dgbtrf(n, n, kl, ku, rfac, lda, iwork, ierr) if (ierr .ne. 0) then print*, ' ' print*,'_NBAND: Error with _gbtrf.' print*, ' ' go to 9000 end if c else if ( type .eq. 4 .or. type .eq. 6 ) then c c %-------------------------------------------% c | Solving generalized eigenvalue problem in | c | shift-invert mode. | c %-------------------------------------------% c if ( sigmai .eq. zero ) then c c %--------------------------------------------% c | Construct (A - sigma*M) and factor in real | c | arithmetic. | c %--------------------------------------------% c do 60 j = 1,n do 50 i = itop, ibot rfac(i,j) = ab(i,j) - sigmar*mb(i,j) 50 continue 60 continue c call dgbtrf(n, n, kl, ku, rfac, lda, iwork, ierr) if ( ierr .ne. 0 ) then print*, ' ' print*, '_NBAND: Error with _gbtrf.' print*, ' ' go to 9000 end if c else c c %-----------------------------------------------% c | Construct (A - sigma*M) and factor in complex | c | arithmetic. | c %-----------------------------------------------% c do 80 j = 1,n do 70 i = itop, ibot cfac(i,j) = dcmplx( ab(i,j)-sigmar*mb(i,j), & -sigmai*mb(i,j) ) 70 continue 80 continue c call zgbtrf(n, n, kl, ku, cfac, lda, iwork, ierr) if ( ierr .NE. 0 ) then print*, ' ' print*, '_NBAND: Error with _gbtrf.' print*, ' ' go to 9000 end if c end if c end if c c %--------------------------------------------% c | M A I N L O O P (reverse communication) | c %--------------------------------------------% c 90 continue c call dnaupd ( ido, bmat, n, which, nev, tol, resid, ncv, & v, ldv, iparam, ipntr, workd, workl, lworkl, & info ) c if (ido .eq. -1) then c if ( type .eq. 1) then c c %----------------------------% c | Perform y <--- OP*x = A*x | c %----------------------------% c call dgbmv('Notranspose', n, n, kl, ku, one, ab(itop,1), & lda, workd(ipntr(1)), 1, zero, & workd(ipntr(2)), 1) c else if ( type .eq. 2 ) then c if (sigmai .eq. zero) then c c %----------------------------------% c | Shift is real. Perform | c | y <--- OP*x = inv[A-sigmar*I]*x | c | to force the starting vector | c | into the range of OP. | c %----------------------------------% c call dcopy (n, workd(ipntr(1)), 1, workd(ipntr(2)), 1) call dgbtrs ('Notranspose', n, kl, ku, 1, rfac, lda, & iwork, workd(ipntr(2)), n, ierr) if ( ierr .ne. 0 ) then print*, ' ' print*, ' _NBAND: Error with _bgtrs. ' print*, ' ' go to 9000 end if c else c c %--------------------------------------------% c | Shift is COMPLEX. Perform | c | y <--- OP*x = Real_Part{inv[A-sigma*I]*x} | c | to force the starting vector into the | c | range of OP. | c %--------------------------------------------% c do 100 j = 1, n workc(j) = dcmplx(workd(ipntr(1)+j-1)) 100 continue c call zgbtrs ('Notranspose', n, kl, ku, 1, cfac, lda, & iwork, workc, n, ierr) if ( ierr .ne. 0 ) then print*, ' ' print*, ' _NBAND: Error with _gbtrs. ' print*, ' ' go to 9000 end if c do 110 j = 1, n workd(ipntr(2)+j-1) = dble(workc(j)) 110 continue c end if c else if ( type .eq. 3 ) then c c %-----------------------------------% c | Perform y <--- OP*x = inv[M]*A*x | c | to force the starting vector into | c | the range of OP. | c %-----------------------------------% c call dgbmv('Notranspose', n, n, kl, ku, one, ab(itop,1), & lda, workd(ipntr(1)), 1, zero, & workd(ipntr(2)), 1) c call dgbtrs ('Notranspose', n, kl, ku, 1, rfac, lda, & iwork, workd(ipntr(2)), n, ierr) if (ierr .ne. 0) then print*, ' ' print*, '_NBAND: Error with _bgtrs.' print*, ' ' go to 9000 end if c else if ( type .eq. 4 ) then c c %-----------------------------------------% c | Perform y <-- OP*x | c | = Real_part{inv[A-SIGMA*M]*M}*x | c | to force the starting vector into the | c | range of OP. | c %-----------------------------------------% c call dgbmv('Notranspose', n, n, kl, ku, one, mb(itop,1), & lda, workd(ipntr(1)), 1, zero, & workd(ipntr(2)), 1) c if ( sigmai .eq. zero ) then c c %---------------------% c | Shift is real, stay | c | in real arithmetic. | c %---------------------% c call dgbtrs ('Notranspose', n, kl, ku, 1, rfac, lda, & iwork, workd(ipntr(2)), n, ierr) if (ierr .ne. 0) then print*, ' ' print*, '_NBAND: Error with _gbtrs.' print*, ' ' go to 9000 end if c else c c %--------------------------% c | Goto complex arithmetic. | c %--------------------------% c do 120 i = 1,n workc(i) = dcmplx(workd(ipntr(2)+i-1)) 120 continue c call zgbtrs ('Notranspose', n, kl, ku, 1, cfac, lda, & iwork, workc, n, ierr) if (ierr .ne. 0) then print*, ' ' print*, '_NBAND: Error with _gbtrs.' print*, ' ' go to 9000 end if c do 130 i = 1, n workd(ipntr(2)+i-1) = dble(workc(i)) 130 continue c end if c else if ( type .eq. 5) then c c %---------------------------------------% c | Perform y <-- OP*x | c | = Imaginary_part{inv[A-SIGMA*I]}*x | c | to force the starting vector into the | c | range of OP. | c %---------------------------------------% c do 140 j = 1, n workc(j) = dcmplx(workd(ipntr(1)+j-1)) 140 continue c call zgbtrs ('Notranspose', n, kl, ku, 1, cfac, lda, & iwork, workc, n, ierr) if ( ierr .ne. 0 ) then print*, ' ' print*, ' _NBAND: Error with _gbtrs. ' print*, ' ' go to 9000 end if c do 150 j = 1, n workd(ipntr(2)+j-1) = dimag(workc(j)) 150 continue c else if ( type .eq. 6 ) then c c %----------------------------------------% c | Perform y <-- OP*x | c | Imaginary_part{inv[A-SIGMA*M]*M} | c | to force the starting vector into the | c | range of OP. | c %----------------------------------------% c call dgbmv('Notranspose', n, n, kl, ku, one, mb(itop,1), & lda, workd(ipntr(1)), 1, zero, & workd(ipntr(2)), 1) c do 160 i = 1,n workc(i) = dcmplx(workd(ipntr(2)+i-1)) 160 continue c call zgbtrs ('Notranspose', n, kl, ku, 1, cfac, lda, & iwork, workc, n, ierr) if (ierr .ne. 0) then print*, ' ' print*, '_NBAND: Error with _gbtrs.' print*, ' ' go to 9000 end if c do 170 i = 1, n workd(ipntr(2)+i-1) = dimag(workc(i)) 170 continue c end if c else if (ido .eq. 1) then c if ( type .eq. 1) then c c %----------------------------% c | Perform y <--- OP*x = A*x | c %----------------------------% c call dgbmv('Notranspose', n, n, kl, ku, one, ab(itop,1), & lda, workd(ipntr(1)), 1, zero, & workd(ipntr(2)), 1) c else if ( type .eq. 2) then c if ( sigmai .eq. zero) then c c %----------------------------------% c | Shift is real. Perform | c | y <--- OP*x = inv[A-sigmar*I]*x. | c %----------------------------------% c call dcopy (n, workd(ipntr(1)), 1, workd(ipntr(2)), 1) call dgbtrs ('Notranspose', n, kl, ku, 1, rfac, lda, & iwork, workd(ipntr(2)), n, ierr) else c c %------------------------------------------% c | Shift is COMPLEX. Perform | c | y <-- OP*x = Real_Part{inv[A-sigma*I]*x} | c | in COMPLEX arithmetic. | c %------------------------------------------% c do 180 j = 1, n workc(j) = dcmplx(workd(ipntr(1)+j-1)) 180 continue c call zgbtrs ('Notranspose', n, kl, ku, 1, cfac, lda, & iwork, workc, n, ierr) if ( ierr .ne. 0 ) then print*, ' ' print*, '_NBAND: Error with _gbtrs.' print*, ' ' go to 9000 end if c do 190 j = 1, n workd(ipntr(2)+j-1) = dble(workc(j)) 190 continue c end if c else if ( type .eq. 3 ) then c c %-----------------------------------% c | Perform y <--- OP*x = inv[M]*A*x | c %-----------------------------------% c call dgbmv('Notranspose', n, n, kl, ku, one, ab(itop,1), & lda, workd(ipntr(1)), 1, zero, & workd(ipntr(2)), 1) c call dgbtrs ('Notranspose', n, kl, ku, 1, rfac, lda, & iwork, workd(ipntr(2)), n, ierr) if (ierr .ne. 0) then print*, ' ' print*, '_NBAND: Error with _bgtrs.' print*, ' ' go to 9000 end if c else if ( type .eq. 4 ) then c c %--------------------------------------% c | Perform y <-- inv(A-sigma*M)*(M*x). | c | (M*x) has been computed and stored | c | in workd(ipntr(3)). | c %--------------------------------------% c if ( sigmai .eq. zero ) then c c %------------------------% c | Shift is real, stay in | c | real arithmetic. | c %------------------------% c call dcopy(n, workd(ipntr(3)), 1, workd(ipntr(2)), 1) call dgbtrs ('Notranspose', n, kl, ku, 1, rfac, lda, & iwork, workd(ipntr(2)), n, ierr) if (ierr .ne. 0) then print*, ' ' print*, '_NBAND: Error with _gbtrs.' print*, ' ' go to 9000 end if c else c c %---------------------------% c | Go to COMPLEX arithmetic. | c %---------------------------% c do 200 i = 1,n workc(i) = dcmplx(workd(ipntr(3)+i-1)) 200 continue c call zgbtrs ('Notranspose', n, kl, ku, 1, cfac, lda, & iwork, workc, n, ierr) if (ierr .ne. 0) then print*, ' ' print*, '_NBAND: Error in _gbtrs.' print*, ' ' go to 9000 end if c do 210 i = 1,n workd(ipntr(2)+i-1) = dble(workc(i)) 210 continue c end if c else if ( type .eq. 5 ) then c c %---------------------------------------% c | Perform y <-- OP*x | c | = Imaginary_part{inv[A-SIGMA*I]*x} | c %---------------------------------------% c do 220 j = 1, n workc(j) = dcmplx(workd(ipntr(1)+j-1)) 220 continue c call zgbtrs ('Notranspose', n, kl, ku, 1, cfac, lda, & iwork, workc, n, ierr) if ( ierr .ne. 0 ) then print*, ' ' print*, ' _NBAND: Error with _gbtrs. ' print*, ' ' go to 9000 end if c do 230 j = 1, n workd(ipntr(2)+j-1) = dimag(workc(j)) 230 continue c else if ( type .eq. 6) then c c %-----------------------------------------% c | Perform y <-- OP*x | c | = Imaginary_part{inv[A-SIGMA*M]*M}*x. | c %-----------------------------------------% c do 240 i = 1,n workc(i) = dcmplx(workd(ipntr(3)+i-1)) 240 continue c call zgbtrs ('Notranspose', n, kl, ku, 1, cfac, lda, & iwork, workc, n, ierr) if (ierr .ne. 0) then print*, ' ' print*, '_NBAND: Error with _gbtrs.' print*, ' ' go to 9000 end if c do 250 i = 1, n workd(ipntr(2)+i-1) = dimag(workc(i)) 250 continue c end if c else if (ido .eq. 2) then c c %--------------------% c | Perform y <-- M*x | c | Not used when | c | type = 1,2. | c %--------------------% c call dgbmv('Notranspose', n, n, kl, ku, one, mb(itop,1), & lda, workd(ipntr(1)), 1, zero, & workd(ipntr(2)), 1) c else c c %-----------------------------------------% c | Either we have convergence, or there is | c | error. | c %-----------------------------------------% c if ( info .lt. 0) then c c %--------------------------% c | Error message, check the | c | documentation in DNAUPD | c %--------------------------% c print *, ' ' print *, ' Error with _naupd info = ',info print *, ' Check the documentation of _naupd ' print *, ' ' go to 9000 c else c if ( info .eq. 1) then print *, ' ' print *, ' Maximum number of iterations reached.' print *, ' ' else if ( info .eq. 3) then print *, ' ' print *, ' No shifts could be applied during implicit', & ' Arnoldi update, try increasing NCV.' print *, ' ' end if c if (iparam(5) .gt. 0) then c call dneupd ( rvec, 'A', select, dr, di, z, ldz, & sigmar, sigmai, workev, bmat, n, which, & nev, tol, resid, ncv, v, ldv, iparam, & ipntr, workd, workl, lworkl, info ) c if ( info .ne. 0) then c c %------------------------------------% c | Check the documentation of DNEUPD. | c %------------------------------------% c print *, ' ' print *, ' Error with _neupd = ', info print *, ' Check the documentation of _neupd ' print *, ' ' go to 9000 c else if ( sigmai .ne. zero ) then c if ( type .eq. 4 .or. type .eq. 6 ) then c first = .true. do 270 j = 1, iparam(5) c c %----------------------------------% c | Use Rayleigh Quotient to recover | c | eigenvalues of the original | c | generalized eigenvalue problem. | c %----------------------------------% c if ( di(j) .eq. zero ) then c c %--------------------------------------% c | Eigenvalue is real. Compute | c | d = (x'*inv[A-sigma*M]*M*x) / (x'*x) | c %--------------------------------------% c call dgbmv('Nontranspose', n, n, kl, ku, one, $ mb(itop,1), lda, z(1,j), 1, zero, $ workd, 1) do i = 1, n workc(i) = dcmplx(workd(i)) end do call zgbtrs ('Notranspose', n, kl, ku, 1, $ cfac, lda, iwork, workc, n, info) do i = 1, n workd(i) = dble(workc(i)) workd(i+n) = dimag(workc(i)) end do denr = ddot(n, z(1,j), 1, workd, 1) deni = ddot(n, z(1,j), 1, workd(n+1), 1) numr = dnrm2(n, z(1,j), 1)**2 dmdul = dlapy2(denr,deni)**2 if ( dmdul .ge. safmin ) then dr(j) = sigmar + numr*denr / dmdul else c c %---------------------% c | dmdul is too small. | c | Exit to avoid | c | overflow. | c %---------------------% c info = -15 go to 9000 end if c else if (first) then c c %------------------------% c | Eigenvalue is complex. | c | Compute the first one | c | of the conjugate pair. | c %------------------------% c c %-------------% c | Compute M*x | c %-------------% c call dgbmv('Nontranspose', n, n, kl, ku, $ one, mb(itop,1), lda, z(1,j), 1, zero, $ workd, 1) call dgbmv('Nontranspose', n, n, kl, ku, $ one, mb(itop,1), lda, z(1,j+1), 1, $ zero, workd(n+1), 1) do i = 1, n workc(i) = dcmplx(workd(i),workd(i+n)) end do c c %----------------------------% c | Compute inv(A-sigma*M)*M*x | c %----------------------------% c call zgbtrs('Notranspose',n,kl,ku,1,cfac, $ lda, iwork, workc, n, info) c c %-------------------------------% c | Compute x'*inv(A-sigma*M)*M*x | c %-------------------------------% c do i = 1, n workd(i) = dble(workc(i)) workd(i+n) = dimag(workc(i)) end do denr = ddot(n,z(1,j),1,workd,1) denr = denr+ddot(n,z(1,j+1),1,workd(n+1),1) deni = ddot(n,z(1,j),1,workd(n+1),1) deni = deni - ddot(n,z(1,j+1),1,workd,1) c c %----------------% c | Compute (x'*x) | c %----------------% c numr = dlapy2( dnrm2(n, z(1,j), 1), & dnrm2(n, z(1, j+1), 1) )**2 c c %----------------------------------------% c | Compute (x'x) / (x'*inv(A-sigma*M)*Mx) | c %----------------------------------------% c dmdul = dlapy2(denr,deni)**2 if ( dmdul .ge. safmin ) then dr(j) = sigmar+numr*denr / dmdul di(j) = sigmai-numr*deni / dmdul first = .false. else c c %---------------------% c | dmdul is too small. | c | Exit to avoid | c | overflow. | c %---------------------% c info = -15 go to 9000 c end if c else c c %---------------------------% c | Get the second eigenvalue | c | of the conjugate pair by | c | taking the conjugate of | c | previous one. | c %---------------------------% c dr(j) = dr(j-1) di(j) = -di(j-1) first = .true. c end if c 270 continue c else if ( type .eq. 2 .or. type .eq. 5) then c first = .true. do 280 j = 1, iparam(5) c c %----------------------------------% c | Use Rayleigh Quotient to recover | c | eigenvalues of the original | c | standard eigenvalue problem. | c %----------------------------------% c if ( di(j) .eq. zero ) then c c %-------------------------------------% c | Eigenvalue is real. Compute | c | d = (x'*inv[A-sigma*I]*x) / (x'*x). | c %-------------------------------------% c do i = 1, n workc(i) = dcmplx(z(i,j)) end do call zgbtrs ('Notranspose', n, kl, ku, 1, $ cfac, lda, iwork, workc, n, info) do i = 1, n workd(i) = dble(workc(i)) workd(i+n) = dimag(workc(i)) end do denr = ddot(n,z(1,j),1,workd,1) deni = ddot(n,z(1,j),1,workd(n+1),1) numr = dnrm2(n, z(1,j), 1)**2 dmdul = dlapy2(denr,deni)**2 if ( dmdul .ge. safmin ) then dr(j) = sigmar + numr*denr / dmdul else c c %---------------------% c | dmdul is too small. | c | Exit to avoid | c | overflow. | c %---------------------% c info = -15 go to 9000 c end if c else if (first) then c c %------------------------% c | Eigenvalue is complex. | c | Compute the first one | c | of the conjugate pair. | c %------------------------% c do i = 1, n workc(i) = dcmplx( z(i,j), z(i,j+1) ) end do c c %---------------------------% c | Compute inv[A-sigma*I]*x. | c %---------------------------% c call zgbtrs('Notranspose',n,kl,ku,1,cfac, $ lda, iwork, workc, n, info) c c %-----------------------------% c | Compute x'*inv(A-sigma*I)*x | c %-----------------------------% c do i = 1, n workd(i) = dble(workc(i)) workd(i+n) = dimag(workc(i)) end do denr = ddot(n,z(1,j),1,workd,1) denr = denr+ddot(n,z(1,j+1),1,workd(n+1),1) deni = ddot(n,z(1,j),1,workd(n+1),1) deni = deni - ddot(n,z(1,j+1),1,workd,1) c c %----------------% c | Compute (x'*x) | c %----------------% c numr = dlapy2( dnrm2(n, z(1,j), 1), & dnrm2(n, z(1,j+1), 1))**2 c c %----------------------------------------% c | Compute (x'x) / (x'*inv(A-sigma*I)*x). | c %----------------------------------------% c dmdul = dlapy2(denr,deni)**2 if (dmdul .ge. safmin) then dr(j) = sigmar+numr*denr / dmdul di(j) = sigmai-numr*deni / dmdul first = .false. else c c %---------------------% c | dmdul is too small. | c | Exit to avoid | c | overflow. | c %---------------------% c info = -15 go to 9000 end if c else c c %---------------------------% c | Get the second eigenvalue | c | of the conjugate pair by | c | taking the conjugate of | c | previous one. | c %---------------------------% c dr(j) = dr(j-1) di(j) = -di(j-1) first = .true. c end if c 280 continue c end if c end if c end if c end if c go to 9000 c end if c c %----------------------------------------% c | L O O P B A C K to call DNAUPD again. | c %----------------------------------------% c go to 90 c 9000 continue c end