c----------------------------------------------------------------------- c\BeginDoc c c\Name: dsaup2 c c\Description: c Intermediate level interface called by dsaupd. c c\Usage: c call dsaup2 c ( IDO, BMAT, N, WHICH, NEV, NP, TOL, RESID, MODE, IUPD, c ISHIFT, MXITER, V, LDV, H, LDH, RITZ, BOUNDS, Q, LDQ, WORKL, c IPNTR, WORKD, INFO ) c c\Arguments c c IDO, BMAT, N, WHICH, NEV, TOL, RESID: same as defined in dsaupd. c MODE, ISHIFT, MXITER: see the definition of IPARAM in dsaupd. c c NP Integer. (INPUT/OUTPUT) c Contains the number of implicit shifts to apply during c each Arnoldi/Lanczos iteration. c If ISHIFT=1, NP is adjusted dynamically at each iteration c to accelerate convergence and prevent stagnation. c This is also roughly equal to the number of matrix-vector c products (involving the operator OP) per Arnoldi iteration. c The logic for adjusting is contained within the current c subroutine. c If ISHIFT=0, NP is the number of shifts the user needs c to provide via reverse comunication. 0 < NP < NCV-NEV. c NP may be less than NCV-NEV since a leading block of the current c upper Tridiagonal matrix has split off and contains "unwanted" c Ritz values. c Upon termination of the IRA iteration, NP contains the number c of "converged" wanted Ritz values. c c IUPD Integer. (INPUT) c IUPD .EQ. 0: use explicit restart instead implicit update. c IUPD .NE. 0: use implicit update. c c V Double precision N by (NEV+NP) array. (INPUT/OUTPUT) c The Lanczos basis vectors. c c LDV Integer. (INPUT) c Leading dimension of V exactly as declared in the calling c program. c c H Double precision (NEV+NP) by 2 array. (OUTPUT) c H is used to store the generated symmetric tridiagonal matrix c The subdiagonal is stored in the first column of H starting c at H(2,1). The main diagonal is stored in the arsecond column c of H starting at H(1,2). If dsaup2 converges store the c B-norm of the final residual vector in H(1,1). c c LDH Integer. (INPUT) c Leading dimension of H exactly as declared in the calling c program. c c RITZ Double precision array of length NEV+NP. (OUTPUT) c RITZ(1:NEV) contains the computed Ritz values of OP. c c BOUNDS Double precision array of length NEV+NP. (OUTPUT) c BOUNDS(1:NEV) contain the error bounds corresponding to RITZ. c c Q Double precision (NEV+NP) by (NEV+NP) array. (WORKSPACE) c Private (replicated) work array used to accumulate the c rotation in the shift application step. c c LDQ Integer. (INPUT) c Leading dimension of Q exactly as declared in the calling c program. c c WORKL Double precision array of length at least 3*(NEV+NP). (INPUT/WORKSPACE) c Private (replicated) array on each PE or array allocated on c the front end. It is used in the computation of the c tridiagonal eigenvalue problem, the calculation and c application of the shifts and convergence checking. c If ISHIFT .EQ. O and IDO .EQ. 3, the first NP locations c of WORKL are used in reverse communication to hold the user c supplied shifts. c c IPNTR Integer array of length 3. (OUTPUT) c Pointer to mark the starting locations in the WORKD for c vectors used by the Lanczos iteration. c ------------------------------------------------------------- c IPNTR(1): pointer to the current operand vector X. c IPNTR(2): pointer to the current result vector Y. c IPNTR(3): pointer to the vector B * X when used in one of c the spectral transformation modes. X is the current c operand. c ------------------------------------------------------------- c c WORKD Double precision work array of length 3*N. (REVERSE COMMUNICATION) c Distributed array to be used in the basic Lanczos iteration c for reverse communication. The user should not use WORKD c as temporary workspace during the iteration !!!!!!!!!! c See Data Distribution Note in dsaupd. c c INFO Integer. (INPUT/OUTPUT) c If INFO .EQ. 0, a randomly initial residual vector is used. c If INFO .NE. 0, RESID contains the initial residual vector, c possibly from a previous run. c Error flag on output. c = 0: Normal return. c = 1: All possible eigenvalues of OP has been found. c NP returns the size of the invariant subspace c spanning the operator OP. c = 2: No shifts could be applied. c = -8: Error return from trid. eigenvalue calculation; c This should never happen. c = -9: Starting vector is zero. c = -9999: Could not build an Lanczos factorization. c Size that was built in returned in NP. 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 2. R.B. Lehoucq, "Analysis and Implementation of an Implicitly c Restarted Arnoldi Iteration", Rice University Technical Report c TR95-13, Department of Computational and Applied Mathematics. c 3. B.N. Parlett, "The Symmetric Eigenvalue Problem". Prentice-Hall, c 1980. c 4. B.N. Parlett, B. Nour-Omid, "Towards a Black Box Lanczos Program", c Computer Physics Communications, 53 (1989), pp 169-179. c 5. B. Nour-Omid, B.N. Parlett, T. Ericson, P.S. Jensen, "How to c Implement the Spectral Transformation", Math. Comp., 48 (1987), c pp 663-673. c 6. R.G. Grimes, J.G. Lewis and H.D. Simon, "A Shifted Block Lanczos c Algorithm for Solving Sparse Symmetric Generalized Eigenproblems", c SIAM J. Matr. Anal. Apps., January (1993). c 7. L. Reichel, W.B. Gragg, "Algorithm 686: FORTRAN Subroutines c for Updating the QR decomposition", ACM TOMS, December 1990, c Volume 16 Number 4, pp 369-377. c c\Routines called: c dgetv0 ARPACK initial vector generation routine. c dsaitr ARPACK Lanczos factorization routine. c dsapps ARPACK application of implicit shifts routine. c dsconv ARPACK convergence of Ritz values routine. c dseigt ARPACK compute Ritz values and error bounds routine. c dsgets ARPACK reorder Ritz values and error bounds routine. c dsortr ARPACK sorting routine. c ivout ARPACK utility routine that prints integers. c arsecond ARPACK utility routine for timing. c dvout ARPACK utility routine that prints vectors. c dlamch LAPACK routine that determines machine constants. c dcopy Level 1 BLAS that copies one vector to another. c ddot Level 1 BLAS that computes the scalar product of two vectors. c dnrm2 Level 1 BLAS that computes the norm of a vector. c dscal Level 1 BLAS that scales a vector. c dswap Level 1 BLAS that swaps two vectors. c c\Author c Danny Sorensen Phuong Vu c Richard Lehoucq CRPC / Rice University c Dept. of Computational & Houston, Texas c Applied Mathematics c Rice University c Houston, Texas c c\Revision history: c 12/15/93: Version ' 2.4' c xx/xx/95: Version ' 2.4'. (R.B. Lehoucq) c c\SCCS Information: @(#) c FILE: saup2.F SID: 2.7 DATE OF SID: 5/19/98 RELEASE: 2 c c\EndLib c c----------------------------------------------------------------------- c subroutine dsaup2 & ( ido, bmat, n, which, nev, np, tol, resid, mode, iupd, & ishift, mxiter, v, ldv, h, ldh, ritz, bounds, & q, ldq, workl, ipntr, workd, info ) c c %----------------------------------------------------% c | Include files for debugging and timing information | c %----------------------------------------------------% c include 'debug.h' include 'stat.h' c c %------------------% c | Scalar Arguments | c %------------------% c character bmat*1, which*2 integer ido, info, ishift, iupd, ldh, ldq, ldv, mxiter, & n, mode, nev, np Double precision & tol c c %-----------------% c | Array Arguments | c %-----------------% c integer ipntr(3) Double precision & bounds(nev+np), h(ldh,2), q(ldq,nev+np), resid(n), & ritz(nev+np), v(ldv,nev+np), workd(3*n), & workl(3*(nev+np)) c c %------------% c | Parameters | c %------------% c Double precision & one, zero parameter (one = 1.0D+0, zero = 0.0D+0) c c %---------------% c | Local Scalars | c %---------------% c character wprime*2 logical cnorm, getv0, initv, update, ushift integer ierr, iter, j, kplusp, msglvl, nconv, nevbef, nev0, & np0, nptemp, nevd2, nevm2, kp(3) Double precision & rnorm, temp, eps23 save cnorm, getv0, initv, update, ushift, & iter, kplusp, msglvl, nconv, nev0, np0, & rnorm, eps23 c c %----------------------% c | External Subroutines | c %----------------------% c external dcopy, dgetv0, dsaitr, dscal, dsconv, dseigt, dsgets, & dsapps, dsortr, dvout, ivout, dswap c c %--------------------% c | External Functions | c %--------------------% c Double precision & ddot, dnrm2, dlamch external ddot, dnrm2, dlamch c c %---------------------% c | Intrinsic Functions | c %---------------------% c intrinsic min c c %-----------------------% c | Executable Statements | c %-----------------------% c if (ido .eq. 0) then c c %-------------------------------% c | Initialize timing statistics | c | & message level for debugging | c %-------------------------------% c call arsecond (t0) msglvl = msaup2 c c %---------------------------------% c | Set machine dependent constant. | c %---------------------------------% c eps23 = dlamch('Epsilon-Machine') eps23 = eps23**(2.0D+0/3.0D+0) c c %-------------------------------------% c | nev0 and np0 are integer variables | c | hold the initial values of NEV & NP | c %-------------------------------------% c nev0 = nev np0 = np c c %-------------------------------------% c | kplusp is the bound on the largest | c | Lanczos factorization built. | c | nconv is the current number of | c | "converged" eigenvlues. | c | iter is the counter on the current | c | iteration step. | c %-------------------------------------% c kplusp = nev0 + np0 nconv = 0 iter = 0 c c %--------------------------------------------% c | Set flags for computing the first NEV steps | c | of the Lanczos factorization. | c %--------------------------------------------% c getv0 = .true. update = .false. ushift = .false. cnorm = .false. c if (info .ne. 0) then c c %--------------------------------------------% c | User provides the initial residual vector. | c %--------------------------------------------% c initv = .true. info = 0 else initv = .false. end if end if c c %---------------------------------------------% c | Get a possibly random starting vector and | c | force it into the range of the operator OP. | c %---------------------------------------------% c 10 continue c if (getv0) then call dgetv0 (ido, bmat, 1, initv, n, 1, v, ldv, resid, rnorm, & ipntr, workd, info) c if (ido .ne. 99) go to 9000 c if (rnorm .eq. zero) then c c %-----------------------------------------% c | The initial vector is zero. Error exit. | c %-----------------------------------------% c info = -9 go to 1200 end if getv0 = .false. ido = 0 end if c c %------------------------------------------------------------% c | Back from reverse communication: continue with update step | c %------------------------------------------------------------% c if (update) go to 20 c c %-------------------------------------------% c | Back from computing user specified shifts | c %-------------------------------------------% c if (ushift) go to 50 c c %-------------------------------------% c | Back from computing residual norm | c | at the end of the current iteration | c %-------------------------------------% c if (cnorm) go to 100 c c %----------------------------------------------------------% c | Compute the first NEV steps of the Lanczos factorization | c %----------------------------------------------------------% c call dsaitr (ido, bmat, n, 0, nev0, mode, resid, rnorm, v, ldv, & h, ldh, ipntr, workd, info) c c %---------------------------------------------------% c | ido .ne. 99 implies use of reverse communication | c | to compute operations involving OP and possibly B | c %---------------------------------------------------% c if (ido .ne. 99) go to 9000 c if (info .gt. 0) then c c %-----------------------------------------------------% c | dsaitr was unable to build an Lanczos factorization | c | of length NEV0. INFO is returned with the size of | c | the factorization built. Exit main loop. | c %-----------------------------------------------------% c np = info mxiter = iter info = -9999 go to 1200 end if c c %--------------------------------------------------------------% c | | c | M A I N LANCZOS I T E R A T I O N L O O P | c | Each iteration implicitly restarts the Lanczos | c | factorization in place. | c | | c %--------------------------------------------------------------% c 1000 continue c iter = iter + 1 c if (msglvl .gt. 0) then call ivout (logfil, 1, iter, ndigit, & '_saup2: **** Start of major iteration number ****') end if if (msglvl .gt. 1) then call ivout (logfil, 1, nev, ndigit, & '_saup2: The length of the current Lanczos factorization') call ivout (logfil, 1, np, ndigit, & '_saup2: Extend the Lanczos factorization by') end if c c %------------------------------------------------------------% c | Compute NP additional steps of the Lanczos factorization. | c %------------------------------------------------------------% c ido = 0 20 continue update = .true. c call dsaitr (ido, bmat, n, nev, np, mode, resid, rnorm, v, & ldv, h, ldh, ipntr, workd, info) c c %---------------------------------------------------% c | ido .ne. 99 implies use of reverse communication | c | to compute operations involving OP and possibly B | c %---------------------------------------------------% c if (ido .ne. 99) go to 9000 c if (info .gt. 0) then c c %-----------------------------------------------------% c | dsaitr was unable to build an Lanczos factorization | c | of length NEV0+NP0. INFO is returned with the size | c | of the factorization built. Exit main loop. | c %-----------------------------------------------------% c np = info mxiter = iter info = -9999 go to 1200 end if update = .false. c if (msglvl .gt. 1) then call dvout (logfil, 1, rnorm, ndigit, & '_saup2: Current B-norm of residual for factorization') end if c c %--------------------------------------------------------% c | Compute the eigenvalues and corresponding error bounds | c | of the current symmetric tridiagonal matrix. | c %--------------------------------------------------------% c call dseigt (rnorm, kplusp, h, ldh, ritz, bounds, workl, ierr) c if (ierr .ne. 0) then info = -8 go to 1200 end if c c %----------------------------------------------------% c | Make a copy of eigenvalues and corresponding error | c | bounds obtained from _seigt. | c %----------------------------------------------------% c call dcopy(kplusp, ritz, 1, workl(kplusp+1), 1) call dcopy(kplusp, bounds, 1, workl(2*kplusp+1), 1) c c %---------------------------------------------------% c | Select the wanted Ritz values and their bounds | c | to be used in the convergence test. | c | The selection is based on the requested number of | c | eigenvalues instead of the current NEV and NP to | c | prevent possible misconvergence. | c | * Wanted Ritz values := RITZ(NP+1:NEV+NP) | c | * Shifts := RITZ(1:NP) := WORKL(1:NP) | c %---------------------------------------------------% c nev = nev0 np = np0 call dsgets (ishift, which, nev, np, ritz, bounds, workl) c c %-------------------% c | Convergence test. | c %-------------------% c call dcopy (nev, bounds(np+1), 1, workl(np+1), 1) call dsconv (nev, ritz(np+1), workl(np+1), tol, nconv) c if (msglvl .gt. 2) then kp(1) = nev kp(2) = np kp(3) = nconv call ivout (logfil, 3, kp, ndigit, & '_saup2: NEV, NP, NCONV are') call dvout (logfil, kplusp, ritz, ndigit, & '_saup2: The eigenvalues of H') call dvout (logfil, kplusp, bounds, ndigit, & '_saup2: Ritz estimates of the current NCV Ritz values') end if c c %---------------------------------------------------------% c | Count the number of unwanted Ritz values that have zero | c | Ritz estimates. If any Ritz estimates are equal to zero | c | then a leading block of H of order equal to at least | c | the number of Ritz values with zero Ritz estimates has | c | split off. None of these Ritz values may be removed by | c | shifting. Decrease NP the number of shifts to apply. If | c | no shifts may be applied, then prepare to exit | c %---------------------------------------------------------% c nptemp = np do 30 j=1, nptemp if (bounds(j) .eq. zero) then np = np - 1 nev = nev + 1 end if 30 continue c if ( (nconv .ge. nev0) .or. & (iter .gt. mxiter) .or. & (np .eq. 0) ) then c c %------------------------------------------------% c | Prepare to exit. Put the converged Ritz values | c | and corresponding bounds in RITZ(1:NCONV) and | c | BOUNDS(1:NCONV) respectively. Then sort. Be | c | careful when NCONV > NP since we don't want to | c | swap overlapping locations. | c %------------------------------------------------% c if (which .eq. 'BE') then c c %-----------------------------------------------------% c | Both ends of the spectrum are requested. | c | Sort the eigenvalues into algebraically decreasing | c | order first then swap low end of the spectrum next | c | to high end in appropriate locations. | c | NOTE: when np < floor(nev/2) be careful not to swap | c | overlapping locations. | c %-----------------------------------------------------% c wprime = 'SA' call dsortr (wprime, .true., kplusp, ritz, bounds) nevd2 = nev0 / 2 nevm2 = nev0 - nevd2 if ( nev .gt. 1 ) then call dswap ( min(nevd2,np), ritz(nevm2+1), 1, & ritz( max(kplusp-nevd2+1,kplusp-np+1) ), 1) call dswap ( min(nevd2,np), bounds(nevm2+1), 1, & bounds( max(kplusp-nevd2+1,kplusp-np+1)), 1) end if c else c c %--------------------------------------------------% c | LM, SM, LA, SA case. | c | Sort the eigenvalues of H into the an order that | c | is opposite to WHICH, and apply the resulting | c | order to BOUNDS. The eigenvalues are sorted so | c | that the wanted part are always within the first | c | NEV locations. | c %--------------------------------------------------% c if (which .eq. 'LM') wprime = 'SM' if (which .eq. 'SM') wprime = 'LM' if (which .eq. 'LA') wprime = 'SA' if (which .eq. 'SA') wprime = 'LA' c call dsortr (wprime, .true., kplusp, ritz, bounds) c end if c c %--------------------------------------------------% c | Scale the Ritz estimate of each Ritz value | c | by 1 / max(eps23,magnitude of the Ritz value). | c %--------------------------------------------------% c do 35 j = 1, nev0 temp = max( eps23, abs(ritz(j)) ) bounds(j) = bounds(j)/temp 35 continue c c %----------------------------------------------------% c | Sort the Ritz values according to the scaled Ritz | c | esitmates. This will push all the converged ones | c | towards the front of ritzr, ritzi, bounds | c | (in the case when NCONV < NEV.) | c %----------------------------------------------------% c wprime = 'LA' call dsortr(wprime, .true., nev0, bounds, ritz) c c %----------------------------------------------% c | Scale the Ritz estimate back to its original | c | value. | c %----------------------------------------------% c do 40 j = 1, nev0 temp = max( eps23, abs(ritz(j)) ) bounds(j) = bounds(j)*temp 40 continue c c %--------------------------------------------------% c | Sort the "converged" Ritz values again so that | c | the "threshold" values and their associated Ritz | c | estimates appear at the appropriate position in | c | ritz and bound. | c %--------------------------------------------------% c if (which .eq. 'BE') then c c %------------------------------------------------% c | Sort the "converged" Ritz values in increasing | c | order. The "threshold" values are in the | c | middle. | c %------------------------------------------------% c wprime = 'LA' call dsortr(wprime, .true., nconv, ritz, bounds) c else c c %----------------------------------------------% c | In LM, SM, LA, SA case, sort the "converged" | c | Ritz values according to WHICH so that the | c | "threshold" value appears at the front of | c | ritz. | c %----------------------------------------------% call dsortr(which, .true., nconv, ritz, bounds) c end if c c %------------------------------------------% c | Use h( 1,1 ) as storage to communicate | c | rnorm to _seupd if needed | c %------------------------------------------% c h(1,1) = rnorm c if (msglvl .gt. 1) then call dvout (logfil, kplusp, ritz, ndigit, & '_saup2: Sorted Ritz values.') call dvout (logfil, kplusp, bounds, ndigit, & '_saup2: Sorted ritz estimates.') end if c c %------------------------------------% c | Max iterations have been exceeded. | c %------------------------------------% c if (iter .gt. mxiter .and. nconv .lt. nev) info = 1 c c %---------------------% c | No shifts to apply. | c %---------------------% c if (np .eq. 0 .and. nconv .lt. nev0) info = 2 c np = nconv go to 1100 c else if (nconv .lt. nev .and. ishift .eq. 1) then c c %---------------------------------------------------% c | Do not have all the requested eigenvalues yet. | c | To prevent possible stagnation, adjust the number | c | of Ritz values and the shifts. | c %---------------------------------------------------% c nevbef = nev nev = nev + min (nconv, np/2) if (nev .eq. 1 .and. kplusp .ge. 6) then nev = kplusp / 2 else if (nev .eq. 1 .and. kplusp .gt. 2) then nev = 2 end if np = kplusp - nev c c %---------------------------------------% c | If the size of NEV was just increased | c | resort the eigenvalues. | c %---------------------------------------% c if (nevbef .lt. nev) & call dsgets (ishift, which, nev, np, ritz, bounds, & workl) c end if c if (msglvl .gt. 0) then call ivout (logfil, 1, nconv, ndigit, & '_saup2: no. of "converged" Ritz values at this iter.') if (msglvl .gt. 1) then kp(1) = nev kp(2) = np call ivout (logfil, 2, kp, ndigit, & '_saup2: NEV and NP are') call dvout (logfil, nev, ritz(np+1), ndigit, & '_saup2: "wanted" Ritz values.') call dvout (logfil, nev, bounds(np+1), ndigit, & '_saup2: Ritz estimates of the "wanted" values ') end if end if c if (ishift .eq. 0) then c c %-----------------------------------------------------% c | User specified shifts: reverse communication to | c | compute the shifts. They are returned in the first | c | NP locations of WORKL. | c %-----------------------------------------------------% c ushift = .true. ido = 3 go to 9000 end if c 50 continue c c %------------------------------------% c | Back from reverse communication; | c | User specified shifts are returned | c | in WORKL(1:*NP) | c %------------------------------------% c ushift = .false. c c c %---------------------------------------------------------% c | Move the NP shifts to the first NP locations of RITZ to | c | free up WORKL. This is for the non-exact shift case; | c | in the exact shift case, dsgets already handles this. | c %---------------------------------------------------------% c if (ishift .eq. 0) call dcopy (np, workl, 1, ritz, 1) c if (msglvl .gt. 2) then call ivout (logfil, 1, np, ndigit, & '_saup2: The number of shifts to apply ') call dvout (logfil, np, workl, ndigit, & '_saup2: shifts selected') if (ishift .eq. 1) then call dvout (logfil, np, bounds, ndigit, & '_saup2: corresponding Ritz estimates') end if end if c c %---------------------------------------------------------% c | Apply the NP0 implicit shifts by QR bulge chasing. | c | Each shift is applied to the entire tridiagonal matrix. | c | The first 2*N locations of WORKD are used as workspace. | c | After dsapps is done, we have a Lanczos | c | factorization of length NEV. | c %---------------------------------------------------------% c call dsapps (n, nev, np, ritz, v, ldv, h, ldh, resid, q, ldq, & workd) c c %---------------------------------------------% c | Compute the B-norm of the updated residual. | c | Keep B*RESID in WORKD(1:N) to be used in | c | the first step of the next call to dsaitr. | c %---------------------------------------------% c cnorm = .true. call arsecond (t2) if (bmat .eq. 'G') then nbx = nbx + 1 call dcopy (n, resid, 1, workd(n+1), 1) ipntr(1) = n + 1 ipntr(2) = 1 ido = 2 c c %----------------------------------% c | Exit in order to compute B*RESID | c %----------------------------------% c go to 9000 else if (bmat .eq. 'I') then call dcopy (n, resid, 1, workd, 1) end if c 100 continue c c %----------------------------------% c | Back from reverse communication; | c | WORKD(1:N) := B*RESID | c %----------------------------------% c if (bmat .eq. 'G') then call arsecond (t3) tmvbx = tmvbx + (t3 - t2) end if c if (bmat .eq. 'G') then rnorm = ddot (n, resid, 1, workd, 1) rnorm = sqrt(abs(rnorm)) else if (bmat .eq. 'I') then rnorm = dnrm2(n, resid, 1) end if cnorm = .false. 130 continue c if (msglvl .gt. 2) then call dvout (logfil, 1, rnorm, ndigit, & '_saup2: B-norm of residual for NEV factorization') call dvout (logfil, nev, h(1,2), ndigit, & '_saup2: main diagonal of compressed H matrix') call dvout (logfil, nev-1, h(2,1), ndigit, & '_saup2: subdiagonal of compressed H matrix') end if c go to 1000 c c %---------------------------------------------------------------% c | | c | E N D O F M A I N I T E R A T I O N L O O P | c | | c %---------------------------------------------------------------% c 1100 continue c mxiter = iter nev = nconv c 1200 continue ido = 99 c c %------------% c | Error exit | c %------------% c call arsecond (t1) tsaup2 = t1 - t0 c 9000 continue return c c %---------------% c | End of dsaup2 | c %---------------% c end