Date: 2017-05-17T08:26:00+00:00

Actual source code: davidson.h
slepc-3.7.4 2017-05-17
Report Typos and Errors

      1: /*
      2:   Method: General Davidson Method (includes GD and JD)

      4:   References:
      5:     - Ernest R. Davidson. Super-matrix methods. Computer Physics Communications,
      6:       53:49-60, May 1989.

      8:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
      9:    SLEPc - Scalable Library for Eigenvalue Problem Computations
     10:    Copyright (c) 2002-2016, Universitat Politecnica de Valencia, Spain

     12:    This file is part of SLEPc.

     14:    SLEPc is free software: you can redistribute it and/or modify it under  the
     15:    terms of version 3 of the GNU Lesser General Public License as published by
     16:    the Free Software Foundation.

     18:    SLEPc  is  distributed in the hope that it will be useful, but WITHOUT  ANY
     19:    WARRANTY;  without even the implied warranty of MERCHANTABILITY or  FITNESS
     20:    FOR  A  PARTICULAR PURPOSE. See the GNU Lesser General Public  License  for
     21:    more details.

     23:    You  should have received a copy of the GNU Lesser General  Public  License
     24:    along with SLEPc. If not, see <http://www.gnu.org/licenses/>.
     25:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
     26: */

     28: #include <slepc/private/epsimpl.h>
     29: #include <slepc/private/vecimplslepc.h>

     31: struct _dvdDashboard;
     32: typedef PetscErrorCode (*dvdCallback)(struct _dvdDashboard*);
     33: typedef struct _dvdFunctionList {
     34:   dvdCallback f;
     35:   struct _dvdFunctionList *next;
     36: } dvdFunctionList;

     38: typedef enum {
     39:   DVD_HARM_NONE,
     40:   DVD_HARM_RR,
     41:   DVD_HARM_RRR,
     42:   DVD_HARM_REIGS,
     43:   DVD_HARM_LEIGS
     44: } HarmType_t;

     46: typedef enum {
     47:   DVD_INITV_CLASSIC,
     48:   DVD_INITV_KRYLOV
     49: } InitType_t;

     51: typedef enum {
     52:   DVD_PROJ_KXX,
     53:   DVD_PROJ_KZX
     54: } ProjType_t;

     56: /*
     57:    Dashboard struct: contains the methods that will be employed and the tuning
     58:    options.
     59: */

     61: typedef struct _dvdDashboard {
     62:   /**** Function steps ****/
     63:   /* Initialize V */
     64:   PetscErrorCode (*initV)(struct _dvdDashboard*);
     65:   void *initV_data;

     67:   /* Find the approximate eigenpairs from V */
     68:   PetscErrorCode (*calcPairs)(struct _dvdDashboard*);
     69:   void *calcPairs_data;

     71:   /* Eigenpair test for convergence */
     72:   PetscBool (*testConv)(struct _dvdDashboard*,PetscScalar,PetscScalar,PetscReal,PetscReal*);
     73:   void *testConv_data;

     75:   /* Improve the selected eigenpairs */
     76:   PetscErrorCode (*improveX)(struct _dvdDashboard*,PetscInt,PetscInt,PetscInt*);
     77:   void *improveX_data;

     79:   /* Check for restarting */
     80:   PetscErrorCode (*isRestarting)(struct _dvdDashboard*,PetscBool*);
     81:   void *isRestarting_data;

     83:   /* Perform restarting */
     84:   PetscErrorCode (*restartV)(struct _dvdDashboard*);
     85:   void *restartV_data;

     87:   /* Update V */
     88:   PetscErrorCode (*updateV)(struct _dvdDashboard*);
     89:   void *updateV_data;

     91:   /**** Problem specification ****/
     92:   Mat         A,B;            /* problem matrices */
     93:   MatType_t   sA,sB;          /* matrix specifications */
     94:   EPType_t    sEP;            /* problem specifications */
     95:   PetscInt    nev;            /* number of eigenpairs */
     96:   EPSWhich    which;          /* spectrum selection */
     97:   PetscBool   withTarget;     /* if there is a target */
     98:   PetscScalar target[2];      /* target value */
     99:   PetscReal   tol;            /* tolerance */
    100:   PetscBool   correctXnorm;   /* if true, norm of X are computed */

    102:   /**** Subspaces specification ****/
    103:   PetscInt nconv;             /* number of converged eigenpairs */
    104:   PetscInt npreconv;          /* number of pairs ready to converge */

    106:   BV       W;                 /* left basis for harmonic case */
    107:   BV       AX;                /* A*V */
    108:   BV       BX;                /* B*V */
    109:   PetscInt size_D;            /* active vectors */
    110:   PetscInt max_size_proj;     /* max size projected problem */
    111:   PetscInt max_cX_in_proj;    /* max vectors from cX in the projected problem */
    112:   PetscInt max_cX_in_impr;    /* max vectros from cX in the projector */
    113:   PetscInt max_size_P;        /* max unconverged vectors in the projector */
    114:   PetscInt bs;                /* max vectors that expands the subspace every iteration */
    115:   EPS      eps;               /* connection to SLEPc */

    117:   /**** Auxiliary space ****/
    118:   VecPool auxV;               /* auxiliary vectors */
    119:   BV      auxBV;              /* auxiliary vectors */

    121:   /**** Eigenvalues and errors ****/
    122:   PetscScalar *ceigr,*ceigi;  /* converged eigenvalues */
    123:   PetscScalar *eigr,*eigi;    /* current eigenvalues */
    124:   PetscReal   *nR;            /* residual norm */
    125:   PetscReal   *real_nR;       /* original nR */
    126:   PetscReal   *nX;            /* X norm */
    127:   PetscReal   *real_nX;       /* original nX */
    128:   PetscReal   *errest;        /* relative error eigenpairs */
    129:   PetscReal   *nBds;          /* B-norms of projected problem  */

    131:   /**** Shared function and variables ****/
    132:   PetscErrorCode (*e_Vchanged)(struct _dvdDashboard*,PetscInt,PetscInt,PetscInt,PetscInt);
    133:   void *e_Vchanged_data;
    134:   PetscErrorCode (*calcpairs_residual)(struct _dvdDashboard*,PetscInt,PetscInt);
    135:   PetscErrorCode (*calcpairs_selectPairs)(struct _dvdDashboard*,PetscInt);
    136:   void *calcpairs_residual_data;
    137:   PetscErrorCode (*improvex_precond)(struct _dvdDashboard*,PetscInt,Vec,Vec);
    138:   void *improvex_precond_data;
    139:   PetscErrorCode (*improvex_jd_proj_uv)(struct _dvdDashboard*,PetscInt,PetscInt,Vec*,Vec*,Vec*,PetscScalar*,PetscScalar*,PetscScalar*,PetscScalar*,PetscInt);
    140:   PetscErrorCode (*improvex_jd_lit)(struct _dvdDashboard*,PetscInt,PetscScalar*,PetscScalar*,PetscInt*,PetscReal*);
    141:   PetscErrorCode (*calcpairs_W)(struct _dvdDashboard*);
    142:   void *calcpairs_W_data;
    143:   PetscErrorCode (*calcpairs_proj_trans)(struct _dvdDashboard*);
    144:   PetscErrorCode (*calcpairs_eigs_trans)(struct _dvdDashboard*);
    145:   PetscErrorCode (*calcpairs_eig_backtrans)(struct _dvdDashboard*,PetscScalar,PetscScalar,PetscScalar*,PetscScalar*);
    146:   PetscErrorCode (*calcpairs_proj_res)(struct _dvdDashboard*,PetscInt,PetscInt,Vec*);
    147:   PetscErrorCode (*preTestConv)(struct _dvdDashboard*,PetscInt,PetscInt,PetscInt,PetscInt*);
    148:   PetscErrorCode (*e_newIteration)(struct _dvdDashboard*);
    149:   void *e_newIteration_data;

    151:   dvdFunctionList *startList;  /* starting list */
    152:   dvdFunctionList *endList;    /* ending list */
    153:   dvdFunctionList *destroyList;/* destructor list */

    155:   Mat       H,G;               /* projected problem matrices */
    156:   Mat       auxM;              /* auxiliary dense matrix */
    157:   PetscInt  size_MT;           /* rows in MT */

    159:   PetscInt  V_tra_s;
    160:   PetscInt  V_tra_e;       /* cX <- [cX V*MT(0:V_tra_s-1)], V <- V*MT(V_tra_s:V_tra_e) */
    161:   PetscInt  V_new_s;
    162:   PetscInt  V_new_e;           /* added to V the columns V_new_s:V_new_e */
    163:   PetscBool BV_shift;          /* if true BV is shifted when vectors converge */
    164:   PetscBool W_shift;           /* if true W is shifted when vectors converge */
    165: } dvdDashboard;

    167: typedef struct {
    168:   /*------------------------- User parameters ---------------------------*/
    169:   PetscInt  blocksize;     /* block size */
    170:   PetscInt  initialsize;   /* initial size of V */
    171:   PetscInt  minv;          /* size of V after restarting */
    172:   PetscInt  plusk;         /* keep plusk eigenvectors from the last iteration */
    173:   PetscBool ipB;           /* true if B-ortho is used */
    174:   PetscReal fix;           /* the fix parameter */
    175:   PetscBool krylovstart;   /* true if the starting subspace is a Krylov basis */
    176:   PetscBool dynamic;       /* true if dynamic stopping criterion is used */
    177:   PetscInt  cX_in_proj;    /* converged vectors in the projected problem */
    178:   PetscInt  cX_in_impr;    /* converged vectors in the projector */
    179:   PetscBool doubleexp;     /* double expansion in GD (GD2) */

    181:   /*----------------- Child objects and working data -------------------*/
    182:   dvdDashboard ddb;
    183: } EPS_DAVIDSON;

    187: PETSC_STATIC_INLINE PetscErrorCode EPSDavidsonFLAdd(dvdFunctionList **fl,dvdCallback f)
    188: {
    190:   dvdFunctionList *l;

    193:   PetscNew(&l);
    194:   l->f = f;
    195:   l->next = *fl;
    196:   *fl = l;
    197:   return(0);
    198: }
    199:
    202: PETSC_STATIC_INLINE PetscErrorCode EPSDavidsonFLCall(dvdFunctionList *fl,dvdDashboard *d)
    203: {
    205:   dvdFunctionList *l;

    208:   for (l=fl;l;l=l->next) { (l->f)(d); }
    209:   return(0);
    210: }

    214: PETSC_STATIC_INLINE PetscErrorCode EPSDavidsonFLDestroy(dvdFunctionList **fl)
    215: {
    216:   PetscErrorCode  ierr;
    217:   dvdFunctionList *l,*l0;

    220:   for (l=*fl;l;l=l0) {
    221:     l0 = l->next;
    222:     PetscFree(l);
    223:   }
    224:   *fl = NULL;
    225:   return(0);
    226: }

    228: /*
    229:   The blackboard configuration structure: saves information about the memory
    230:   and other requirements.

    232:   The starting memory structure:

    234:   V           W?          AV          BV?          tKZ
    235:   |-----------|-----------|-----------|------------|-------|
    236:   nev+mpd     nev+mpd     scP+mpd     nev?+mpd     sP+scP
    237:               scP+mpd                 scP+mpd

    239:   The final memory structure considering W_shift and BV_shift:

    241:   cX  V       cY?  W?     cAV AV      BcX? BV?     KZ  tKZ
    242:   |---|-------|----|------|---|-------|----|-------|---|---|
    243:   nev mpd     nev  mpd    scP mpd     nev  mpd     scP sP    <- shift
    244:               scP                     scP                    <- !shift
    245: */
    246: typedef struct {
    247:   PetscInt max_size_V;         /* max size of the searching subspace (mpd) */
    248:   PetscInt max_size_X;         /* max size of X (bs) */
    249:   PetscInt size_V;             /* real size of V (nev+size_P+mpd) */
    250:   PetscInt max_size_oldX;      /* max size of oldX */
    251:   PetscInt max_nev;            /* max number of converged pairs */
    252:   PetscInt max_size_P;         /* number of computed vectors for the projector */
    253:   PetscInt max_size_cP;        /* number of converged vectors in the projectors */
    254:   PetscInt max_size_proj;      /* max size projected problem */
    255:   PetscInt max_size_cX_proj;   /* max converged vectors in the projected problem */
    256:   PetscInt state;              /* method states:
    257:                                    0: preconfiguring
    258:                                    1: configuring
    259:                                    2: running */
    260: } dvdBlackboard;

    262: #define DVD_STATE_PRECONF 0
    263: #define DVD_STATE_CONF 1
    264: #define DVD_STATE_RUN 2

    266: /* Prototypes of non-static auxiliary functions */
    267: PETSC_INTERN PetscErrorCode dvd_calcpairs_qz(dvdDashboard*,dvdBlackboard*,PetscBool,PetscInt,PetscBool);
    268: PETSC_INTERN PetscErrorCode dvd_improvex_gd2(dvdDashboard*,dvdBlackboard*,KSP,PetscInt);
    269: PETSC_INTERN PetscErrorCode dvd_improvex_jd(dvdDashboard*,dvdBlackboard*,KSP,PetscInt,PetscInt,PetscBool);
    270: PETSC_INTERN PetscErrorCode dvd_improvex_jd_proj_uv(dvdDashboard*,dvdBlackboard*,ProjType_t);
    271: PETSC_INTERN PetscErrorCode dvd_improvex_jd_lit_const(dvdDashboard*,dvdBlackboard*,PetscInt,PetscReal,PetscReal);
    272: PETSC_INTERN PetscErrorCode dvd_improvex_compute_X(dvdDashboard*,PetscInt,PetscInt,Vec*,PetscScalar*,PetscInt);
    273: PETSC_INTERN PetscErrorCode dvd_initV(dvdDashboard*,dvdBlackboard*,PetscInt,PetscInt,PetscBool);
    274: PETSC_INTERN PetscErrorCode dvd_orthV(BV,PetscInt,PetscInt);
    275: PETSC_INTERN PetscErrorCode dvd_schm_basic_preconf(dvdDashboard*,dvdBlackboard*,PetscInt,PetscInt,PetscInt,PetscInt,PetscInt,PetscInt,HarmType_t,KSP,InitType_t,PetscBool,PetscBool,PetscInt,PetscInt,PetscBool);
    276: PETSC_INTERN PetscErrorCode dvd_schm_basic_conf(dvdDashboard*,dvdBlackboard*,PetscInt,PetscInt,PetscInt,PetscInt,PetscInt,PetscInt,HarmType_t,PetscBool,PetscScalar,KSP,PetscReal,InitType_t,PetscBool,PetscBool,PetscInt,PetscInt,PetscBool,PetscBool);
    277: PETSC_INTERN PetscErrorCode dvd_testconv_basic(dvdDashboard*,dvdBlackboard*);
    278: PETSC_INTERN PetscErrorCode dvd_testconv_slepc(dvdDashboard*,dvdBlackboard*);
    279: PETSC_INTERN PetscErrorCode dvd_managementV_basic(dvdDashboard*,dvdBlackboard*,PetscInt,PetscInt,PetscInt,PetscInt,PetscBool,PetscBool);
    280: PETSC_INTERN PetscErrorCode dvd_static_precond_PC(dvdDashboard*,dvdBlackboard*,PC);
    281: PETSC_INTERN PetscErrorCode dvd_jacobi_precond(dvdDashboard*,dvdBlackboard*);
    282: PETSC_INTERN PetscErrorCode dvd_harm_updateproj(dvdDashboard*);
    283: PETSC_INTERN PetscErrorCode dvd_harm_conf(dvdDashboard*,dvdBlackboard*,HarmType_t,PetscBool,PetscScalar);

    285: /* Internal interface routines */
    286: PETSC_INTERN PetscErrorCode EPSReset_XD(EPS);
    287: PETSC_INTERN PetscErrorCode EPSSetUp_XD(EPS);
    288: PETSC_INTERN PetscErrorCode EPSSolve_XD(EPS);
    289: PETSC_INTERN PetscErrorCode EPSComputeVectors_XD(EPS);
    290: PETSC_INTERN PetscErrorCode EPSXDSetKrylovStart_XD(EPS,PetscBool);
    291: PETSC_INTERN PetscErrorCode EPSXDGetKrylovStart_XD(EPS,PetscBool*);
    292: PETSC_INTERN PetscErrorCode EPSXDSetBlockSize_XD(EPS,PetscInt);
    293: PETSC_INTERN PetscErrorCode EPSXDGetBlockSize_XD(EPS,PetscInt*);
    294: PETSC_INTERN PetscErrorCode EPSXDSetRestart_XD(EPS,PetscInt,PetscInt);
    295: PETSC_INTERN PetscErrorCode EPSXDGetRestart_XD(EPS,PetscInt*,PetscInt*);
    296: PETSC_INTERN PetscErrorCode EPSXDGetInitialSize_XD(EPS,PetscInt*);
    297: PETSC_INTERN PetscErrorCode EPSXDSetInitialSize_XD(EPS,PetscInt);
    298: PETSC_INTERN PetscErrorCode EPSXDGetFix_XD(EPS,PetscReal*);
    299: PETSC_INTERN PetscErrorCode EPSJDSetFix_JD(EPS,PetscReal);
    300: PETSC_INTERN PetscErrorCode EPSXDSetBOrth_XD(EPS,PetscBool);
    301: PETSC_INTERN PetscErrorCode EPSXDGetBOrth_XD(EPS,PetscBool*);
    302: PETSC_INTERN PetscErrorCode EPSJDSetConstCorrectionTol_JD(EPS,PetscBool);
    303: PETSC_INTERN PetscErrorCode EPSJDGetConstCorrectionTol_JD(EPS,PetscBool*);
    304: PETSC_INTERN PetscErrorCode EPSXDSetWindowSizes_XD(EPS,PetscInt,PetscInt);
    305: PETSC_INTERN PetscErrorCode EPSXDGetWindowSizes_XD(EPS,PetscInt*,PetscInt*);