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- *DECK SCGS
- SUBROUTINE SCGS (N, B, X, NELT, IA, JA, A, ISYM, MATVEC, MSOLVE,
- + ITOL, TOL, ITMAX, ITER, ERR, IERR, IUNIT, R, R0, P, Q, U, V1,
- + V2, RWORK, IWORK)
- C***BEGIN PROLOGUE SCGS
- C***PURPOSE Preconditioned BiConjugate Gradient Squared Ax=b Solver.
- C Routine to solve a Non-Symmetric linear system Ax = b
- C using the Preconditioned BiConjugate Gradient Squared
- C method.
- C***LIBRARY SLATEC (SLAP)
- C***CATEGORY D2A4, D2B4
- C***TYPE SINGLE PRECISION (SCGS-S, DCGS-D)
- C***KEYWORDS BICONJUGATE GRADIENT, ITERATIVE PRECONDITION,
- C NON-SYMMETRIC LINEAR SYSTEM, SLAP, SPARSE
- C***AUTHOR Greenbaum, Anne, (Courant Institute)
- C Seager, Mark K., (LLNL)
- C Lawrence Livermore National Laboratory
- C PO BOX 808, L-60
- C Livermore, CA 94550 (510) 423-3141
- C seager@llnl.gov
- C***DESCRIPTION
- C
- C *Usage:
- C INTEGER N, NELT, IA(NELT), JA(NELT), ISYM, ITOL, ITMAX
- C INTEGER ITER, IERR, IUNIT, IWORK(USER DEFINED)
- C REAL B(N), X(N), A(NELT), TOL, ERR, R(N), R0(N), P(N)
- C REAL Q(N), U(N), V1(N), V2(N), RWORK(USER DEFINED)
- C EXTERNAL MATVEC, MSOLVE
- C
- C CALL SCGS(N, B, X, NELT, IA, JA, A, ISYM, MATVEC,
- C $ MSOLVE, ITOL, TOL, ITMAX, ITER, ERR, IERR, IUNIT,
- C $ R, R0, P, Q, U, V1, V2, RWORK, IWORK)
- C
- C *Arguments:
- C N :IN Integer
- C Order of the Matrix.
- C B :IN Real B(N).
- C Right-hand side vector.
- C X :INOUT Real X(N).
- C On input X is your initial guess for solution vector.
- C On output X is the final approximate solution.
- C NELT :IN Integer.
- C Number of Non-Zeros stored in A.
- C IA :IN Integer IA(NELT).
- C JA :IN Integer JA(NELT).
- C A :IN Real A(NELT).
- C These arrays contain the matrix data structure for A.
- C It could take any form. See "Description", below,
- C for more details.
- C ISYM :IN Integer.
- C Flag to indicate symmetric storage format.
- C If ISYM=0, all non-zero entries of the matrix are stored.
- C If ISYM=1, the matrix is symmetric, and only the upper
- C or lower triangle of the matrix is stored.
- C MATVEC :EXT External.
- C Name of a routine which performs the matrix vector multiply
- C operation Y = A*X given A and X. The name of the MATVEC
- C routine must be declared external in the calling program.
- C The calling sequence of MATVEC is:
- C CALL MATVEC( N, X, Y, NELT, IA, JA, A, ISYM )
- C Where N is the number of unknowns, Y is the product A*X upon
- C return, X is an input vector. NELT, IA, JA, A and ISYM
- C define the SLAP matrix data structure: see Description,below.
- C MSOLVE :EXT External.
- C Name of a routine which solves a linear system MZ = R for Z
- C given R with the preconditioning matrix M (M is supplied via
- C RWORK and IWORK arrays). The name of the MSOLVE routine
- C must be declared external in the calling program. The
- C calling sequence of MSOLVE is:
- C CALL MSOLVE(N, R, Z, NELT, IA, JA, A, ISYM, RWORK, IWORK)
- C Where N is the number of unknowns, R is the right-hand side
- C vector, and Z is the solution upon return. NELT, IA, JA, A
- C and ISYM define the SLAP matrix data structure: see
- C Description, below. RWORK is a real array that can be used
- C to pass necessary preconditioning information and/or
- C workspace to MSOLVE. IWORK is an integer work array for the
- C same purpose as RWORK.
- C ITOL :IN Integer.
- C Flag to indicate type of convergence criterion.
- C If ITOL=1, iteration stops when the 2-norm of the residual
- C divided by the 2-norm of the right-hand side is less than TOL.
- C This routine must calculate the residual from R = A*X - B.
- C This is unnatural and hence expensive for this type of iter-
- C ative method. ITOL=2 is *STRONGLY* recommended.
- C If ITOL=2, iteration stops when the 2-norm of M-inv times the
- C residual divided by the 2-norm of M-inv times the right hand
- C side is less than TOL, where M-inv time a vector is the pre-
- C conditioning step. This is the *NATURAL* stopping for this
- C iterative method and is *STRONGLY* recommended.
- C ITOL=11 is often useful for checking and comparing different
- C routines. For this case, the user must supply the "exact"
- C solution or a very accurate approximation (one with an error
- C much less than TOL) through a common block,
- C COMMON /SSLBLK/ SOLN( )
- C If ITOL=11, iteration stops when the 2-norm of the difference
- C between the iterative approximation and the user-supplied
- C solution divided by the 2-norm of the user-supplied solution
- C is less than TOL.
- C TOL :INOUT Real.
- C Convergence criterion, as described above. (Reset if IERR=4.)
- C ITMAX :IN Integer.
- C Maximum number of iterations.
- C ITER :OUT Integer.
- C Number of iterations required to reach convergence, or
- C ITMAX+1 if convergence criterion could not be achieved in
- C ITMAX iterations.
- C ERR :OUT Real.
- C Error estimate of error in final approximate solution, as
- C defined by ITOL.
- C IERR :OUT Integer.
- C Return error flag.
- C IERR = 0 => All went well.
- C IERR = 1 => Insufficient space allocated for WORK or IWORK.
- C IERR = 2 => Method failed to converge in ITMAX steps.
- C IERR = 3 => Error in user input.
- C Check input values of N, ITOL.
- C IERR = 4 => User error tolerance set too tight.
- C Reset to 500*R1MACH(3). Iteration proceeded.
- C IERR = 5 => Breakdown of the method detected.
- C (r0,r) approximately 0.
- C IERR = 6 => Stagnation of the method detected.
- C (r0,v) approximately 0.
- C IUNIT :IN Integer.
- C Unit number on which to write the error at each iteration,
- C if this is desired for monitoring convergence. If unit
- C number is 0, no writing will occur.
- C R :WORK Real R(N).
- C R0 :WORK Real R0(N).
- C P :WORK Real P(N).
- C Q :WORK Real Q(N).
- C U :WORK Real U(N).
- C V1 :WORK Real V1(N).
- C V2 :WORK Real V2(N).
- C Real arrays used for workspace.
- C RWORK :WORK Real RWORK(USER DEFINED).
- C Real array that can be used for workspace in MSOLVE.
- C IWORK :WORK Integer IWORK(USER DEFINED).
- C Integer array that can be used for workspace in MSOLVE.
- C
- C *Description
- C This routine does not care what matrix data structure is
- C used for A and M. It simply calls the MATVEC and MSOLVE
- C routines, with the arguments as described above. The user
- C could write any type of structure and the appropriate MATVEC
- C and MSOLVE routines. It is assumed that A is stored in the
- C IA, JA, A arrays in some fashion and that M (or INV(M)) is
- C stored in IWORK and RWORK in some fashion. The SLAP
- C routines SSDBCG and SSLUCS are examples of this procedure.
- C
- C Two examples of matrix data structures are the: 1) SLAP
- C Triad format and 2) SLAP Column format.
- C
- C =================== S L A P Triad format ===================
- C
- C In this format only the non-zeros are stored. They may
- C appear in *ANY* order. The user supplies three arrays of
- C length NELT, where NELT is the number of non-zeros in the
- C matrix: (IA(NELT), JA(NELT), A(NELT)). For each non-zero
- C the user puts the row and column index of that matrix
- C element in the IA and JA arrays. The value of the non-zero
- C matrix element is placed in the corresponding location of
- C the A array. This is an extremely easy data structure to
- C generate. On the other hand it is not too efficient on
- C vector computers for the iterative solution of linear
- C systems. Hence, SLAP changes this input data structure to
- C the SLAP Column format for the iteration (but does not
- C change it back).
- C
- C Here is an example of the SLAP Triad storage format for a
- C 5x5 Matrix. Recall that the entries may appear in any order.
- C
- C 5x5 Matrix SLAP Triad format for 5x5 matrix on left.
- C 1 2 3 4 5 6 7 8 9 10 11
- C |11 12 0 0 15| A: 51 12 11 33 15 53 55 22 35 44 21
- C |21 22 0 0 0| IA: 5 1 1 3 1 5 5 2 3 4 2
- C | 0 0 33 0 35| JA: 1 2 1 3 5 3 5 2 5 4 1
- C | 0 0 0 44 0|
- C |51 0 53 0 55|
- C
- C =================== S L A P Column format ==================
- C
- C In this format the non-zeros are stored counting down
- C columns (except for the diagonal entry, which must appear
- C first in each "column") and are stored in the real array A.
- C In other words, for each column in the matrix put the
- C diagonal entry in A. Then put in the other non-zero
- C elements going down the column (except the diagonal) in
- C order. The IA array holds the row index for each non-zero.
- C The JA array holds the offsets into the IA, A arrays for the
- C beginning of each column. That is, IA(JA(ICOL)),
- C A(JA(ICOL)) points to the beginning of the ICOL-th column in
- C IA and A. IA(JA(ICOL+1)-1), A(JA(ICOL+1)-1) points to the
- C end of the ICOL-th column. Note that we always have JA(N+1)
- C = NELT+1, where N is the number of columns in the matrix and
- C NELT is the number of non-zeros in the matrix.
- C
- C Here is an example of the SLAP Column storage format for a
- C 5x5 Matrix (in the A and IA arrays '|' denotes the end of a
- C column):
- C
- C 5x5 Matrix SLAP Column format for 5x5 matrix on left.
- C 1 2 3 4 5 6 7 8 9 10 11
- C |11 12 0 0 15| A: 11 21 51 | 22 12 | 33 53 | 44 | 55 15 35
- C |21 22 0 0 0| IA: 1 2 5 | 2 1 | 3 5 | 4 | 5 1 3
- C | 0 0 33 0 35| JA: 1 4 6 8 9 12
- C | 0 0 0 44 0|
- C |51 0 53 0 55|
- C
- C *Cautions:
- C This routine will attempt to write to the Fortran logical output
- C unit IUNIT, if IUNIT .ne. 0. Thus, the user must make sure that
- C this logical unit is attached to a file or terminal before calling
- C this routine with a non-zero value for IUNIT. This routine does
- C not check for the validity of a non-zero IUNIT unit number.
- C
- C***SEE ALSO SSDCGS, SSLUCS
- C***REFERENCES 1. P. Sonneveld, CGS, a fast Lanczos-type solver
- C for nonsymmetric linear systems, Delft University
- C of Technology Report 84-16, Department of Mathe-
- C matics and Informatics, Delft, The Netherlands.
- C 2. E. F. Kaasschieter, The solution of non-symmetric
- C linear systems by biconjugate gradients or conjugate
- C gradients squared, Delft University of Technology
- C Report 86-21, Department of Mathematics and Informa-
- C tics, Delft, The Netherlands.
- C 3. Mark K. Seager, A SLAP for the Masses, in
- C G. F. Carey, Ed., Parallel Supercomputing: Methods,
- C Algorithms and Applications, Wiley, 1989, pp.135-155.
- C***ROUTINES CALLED ISSCGS, R1MACH, SAXPY, SDOT
- C***REVISION HISTORY (YYMMDD)
- C 871119 DATE WRITTEN
- C 881213 Previous REVISION DATE
- C 890915 Made changes requested at July 1989 CML Meeting. (MKS)
- C 890921 Removed TeX from comments. (FNF)
- C 890922 Numerous changes to prologue to make closer to SLATEC
- C standard. (FNF)
- C 890929 Numerous changes to reduce SP/DP differences. (FNF)
- C 891004 Added new reference.
- C 910411 Prologue converted to Version 4.0 format. (BAB)
- C 910502 Removed MATVEC and MSOLVE from ROUTINES CALLED list. (FNF)
- C 920407 COMMON BLOCK renamed SSLBLK. (WRB)
- C 920511 Added complete declaration section. (WRB)
- C 920929 Corrected format of references. (FNF)
- C 921019 Changed 500.0 to 500 to reduce SP/DP differences. (FNF)
- C 921113 Corrected C***CATEGORY line. (FNF)
- C***END PROLOGUE SCGS
- C .. Scalar Arguments ..
- REAL ERR, TOL
- INTEGER IERR, ISYM, ITER, ITMAX, ITOL, IUNIT, N, NELT
- C .. Array Arguments ..
- REAL A(NELT), B(N), P(N), Q(N), R(N), R0(N), RWORK(*), U(N),
- + V1(N), V2(N), X(N)
- INTEGER IA(NELT), IWORK(*), JA(NELT)
- C .. Subroutine Arguments ..
- EXTERNAL MATVEC, MSOLVE
- C .. Local Scalars ..
- REAL AK, AKM, BK, BNRM, FUZZ, RHON, RHONM1, SIGMA, SOLNRM, TOLMIN
- INTEGER I, K
- C .. External Functions ..
- REAL R1MACH, SDOT
- INTEGER ISSCGS
- EXTERNAL R1MACH, SDOT, ISSCGS
- C .. External Subroutines ..
- EXTERNAL SAXPY
- C .. Intrinsic Functions ..
- INTRINSIC ABS
- C***FIRST EXECUTABLE STATEMENT SCGS
- C
- C Check some of the input data.
- C
- ITER = 0
- IERR = 0
- IF( N.LT.1 ) THEN
- IERR = 3
- RETURN
- ENDIF
- TOLMIN = 500*R1MACH(3)
- IF( TOL.LT.TOLMIN ) THEN
- TOL = TOLMIN
- IERR = 4
- ENDIF
- C
- C Calculate initial residual and pseudo-residual, and check
- C stopping criterion.
- CALL MATVEC(N, X, R, NELT, IA, JA, A, ISYM)
- DO 10 I = 1, N
- V1(I) = R(I) - B(I)
- 10 CONTINUE
- CALL MSOLVE(N, V1, R, NELT, IA, JA, A, ISYM, RWORK, IWORK)
- C
- IF( ISSCGS(N, B, X, NELT, IA, JA, A, ISYM, MATVEC, MSOLVE,
- $ ITOL, TOL, ITMAX, ITER, ERR, IERR, IUNIT, R, R0, P, Q,
- $ U, V1, V2, RWORK, IWORK, AK, BK, BNRM, SOLNRM) .NE. 0 )
- $ GO TO 200
- IF( IERR.NE.0 ) RETURN
- C
- C Set initial values.
- C
- FUZZ = R1MACH(3)**2
- DO 20 I = 1, N
- R0(I) = R(I)
- 20 CONTINUE
- RHONM1 = 1
- C
- C ***** ITERATION LOOP *****
- C
- DO 100 K=1,ITMAX
- ITER = K
- C
- C Calculate coefficient BK and direction vectors U, V and P.
- RHON = SDOT(N, R0, 1, R, 1)
- IF( ABS(RHONM1).LT.FUZZ ) GOTO 998
- BK = RHON/RHONM1
- IF( ITER.EQ.1 ) THEN
- DO 30 I = 1, N
- U(I) = R(I)
- P(I) = R(I)
- 30 CONTINUE
- ELSE
- DO 40 I = 1, N
- U(I) = R(I) + BK*Q(I)
- V1(I) = Q(I) + BK*P(I)
- 40 CONTINUE
- DO 50 I = 1, N
- P(I) = U(I) + BK*V1(I)
- 50 CONTINUE
- ENDIF
- C
- C Calculate coefficient AK, new iterate X, Q
- CALL MATVEC(N, P, V2, NELT, IA, JA, A, ISYM)
- CALL MSOLVE(N, V2, V1, NELT, IA, JA, A, ISYM, RWORK, IWORK)
- SIGMA = SDOT(N, R0, 1, V1, 1)
- IF( ABS(SIGMA).LT.FUZZ ) GOTO 999
- AK = RHON/SIGMA
- AKM = -AK
- DO 60 I = 1, N
- Q(I) = U(I) + AKM*V1(I)
- 60 CONTINUE
- DO 70 I = 1, N
- V1(I) = U(I) + Q(I)
- 70 CONTINUE
- C X = X - ak*V1.
- CALL SAXPY( N, AKM, V1, 1, X, 1 )
- C -1
- C R = R - ak*M *A*V1
- CALL MATVEC(N, V1, V2, NELT, IA, JA, A, ISYM)
- CALL MSOLVE(N, V2, V1, NELT, IA, JA, A, ISYM, RWORK, IWORK)
- CALL SAXPY( N, AKM, V1, 1, R, 1 )
- C
- C check stopping criterion.
- IF( ISSCGS(N, B, X, NELT, IA, JA, A, ISYM, MATVEC, MSOLVE,
- $ ITOL, TOL, ITMAX, ITER, ERR, IERR, IUNIT, R, R0, P, Q,
- $ U, V1, V2, RWORK, IWORK, AK, BK, BNRM, SOLNRM) .NE. 0 )
- $ GO TO 200
- C
- C Update RHO.
- RHONM1 = RHON
- 100 CONTINUE
- C
- C ***** end of loop *****
- C Stopping criterion not satisfied.
- ITER = ITMAX + 1
- IERR = 2
- 200 RETURN
- C
- C Breakdown of method detected.
- 998 IERR = 5
- RETURN
- C
- C Stagnation of method detected.
- 999 IERR = 6
- RETURN
- C------------- LAST LINE OF SCGS FOLLOWS ----------------------------
- END
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