Date: 2024-10-28T09:13:13+00:00

Actual source code: gd.c
slepc-3.22.1 2024-10-28
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      1: /*
      2:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
      3:    SLEPc - Scalable Library for Eigenvalue Problem Computations
      4:    Copyright (c) 2002-, Universitat Politecnica de Valencia, Spain

      6:    This file is part of SLEPc.
      7:    SLEPc is distributed under a 2-clause BSD license (see LICENSE).
      8:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
      9: */
     10: /*
     11:    SLEPc eigensolver: "gd"

     13:    Method: Generalized Davidson

     15:    Algorithm:

     17:        Generalized Davidson with various subspace extraction and
     18:        restart techniques.

     20:    References:

     22:        [1] E.R. Davidson, "Super-matrix methods", Comput. Phys. Commun.
     23:            53(2):49-60, 1989.

     25:        [2] E. Romero and J.E. Roman, "A parallel implementation of
     26:            Davidson methods for large-scale eigenvalue problems in
     27:            SLEPc", ACM Trans. Math. Software 40(2), Article 13, 2014.
     28: */

     30: #include <slepc/private/epsimpl.h>
     31: #include <../src/eps/impls/davidson/davidson.h>

     33: static PetscErrorCode EPSSetFromOptions_GD(EPS eps,PetscOptionItems *PetscOptionsObject)
     34: {
     35:   PetscBool      flg,flg2,op,orth;
     36:   PetscInt       opi,opi0;

     38:   PetscFunctionBegin;
     39:   PetscOptionsHeadBegin(PetscOptionsObject,"EPS Generalized Davidson (GD) Options");

     41:     PetscCall(EPSGDGetKrylovStart(eps,&op));
     42:     PetscCall(PetscOptionsBool("-eps_gd_krylov_start","Start the search subspace with a Krylov basis","EPSGDSetKrylovStart",op,&op,&flg));
     43:     if (flg) PetscCall(EPSGDSetKrylovStart(eps,op));

     45:     PetscCall(EPSGDGetBOrth(eps,&orth));
     46:     PetscCall(PetscOptionsBool("-eps_gd_borth","Use B-orthogonalization in the search subspace","EPSGDSetBOrth",op,&op,&flg));
     47:     if (flg) PetscCall(EPSGDSetBOrth(eps,op));

     49:     PetscCall(EPSGDGetBlockSize(eps,&opi));
     50:     PetscCall(PetscOptionsInt("-eps_gd_blocksize","Number of vectors to add to the search subspace","EPSGDSetBlockSize",opi,&opi,&flg));
     51:     if (flg) PetscCall(EPSGDSetBlockSize(eps,opi));

     53:     PetscCall(EPSGDGetRestart(eps,&opi,&opi0));
     54:     PetscCall(PetscOptionsInt("-eps_gd_minv","Size of the search subspace after restarting","EPSGDSetRestart",opi,&opi,&flg));
     55:     PetscCall(PetscOptionsInt("-eps_gd_plusk","Number of eigenvectors saved from the previous iteration when restarting","EPSGDSetRestart",opi0,&opi0,&flg2));
     56:     if (flg || flg2) PetscCall(EPSGDSetRestart(eps,opi,opi0));

     58:     PetscCall(EPSGDGetInitialSize(eps,&opi));
     59:     PetscCall(PetscOptionsInt("-eps_gd_initial_size","Initial size of the search subspace","EPSGDSetInitialSize",opi,&opi,&flg));
     60:     if (flg) PetscCall(EPSGDSetInitialSize(eps,opi));

     62:     PetscCall(PetscOptionsBool("-eps_gd_double_expansion","Use the doble-expansion variant of GD","EPSGDSetDoubleExpansion",PETSC_FALSE,&op,&flg));
     63:     if (flg) PetscCall(EPSGDSetDoubleExpansion(eps,op));

     65:   PetscOptionsHeadEnd();
     66:   PetscFunctionReturn(PETSC_SUCCESS);
     67: }

     69: static PetscErrorCode EPSSetUp_GD(EPS eps)
     70: {
     71:   PetscBool      t;
     72:   KSP            ksp;

     74:   PetscFunctionBegin;
     75:   /* Setup common for all davidson solvers */
     76:   PetscCall(EPSSetUp_XD(eps));

     78:   /* Check some constraints */
     79:   PetscCall(STGetKSP(eps->st,&ksp));
     80:   PetscCall(PetscObjectTypeCompare((PetscObject)ksp,KSPPREONLY,&t));
     81:   PetscCheck(t,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"EPSGD only works with KSPPREONLY");
     82:   PetscFunctionReturn(PETSC_SUCCESS);
     83: }

     85: static PetscErrorCode EPSView_GD(EPS eps,PetscViewer viewer)
     86: {
     87:   PetscBool      isascii,opb;
     88:   PetscInt       opi,opi0;
     89:   PetscBool      borth;
     90:   EPS_DAVIDSON   *data = (EPS_DAVIDSON*)eps->data;

     92:   PetscFunctionBegin;
     93:   PetscCall(PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii));
     94:   if (isascii) {
     95:     if (data->doubleexp) PetscCall(PetscViewerASCIIPrintf(viewer,"  using double expansion variant (GD2)\n"));
     96:     PetscCall(EPSXDGetBOrth_XD(eps,&borth));
     97:     if (borth) PetscCall(PetscViewerASCIIPrintf(viewer,"  search subspace is B-orthogonalized\n"));
     98:     else PetscCall(PetscViewerASCIIPrintf(viewer,"  search subspace is orthogonalized\n"));
     99:     PetscCall(EPSXDGetBlockSize_XD(eps,&opi));
    100:     PetscCall(PetscViewerASCIIPrintf(viewer,"  block size=%" PetscInt_FMT "\n",opi));
    101:     PetscCall(EPSXDGetKrylovStart_XD(eps,&opb));
    102:     if (!opb) PetscCall(PetscViewerASCIIPrintf(viewer,"  type of the initial subspace: non-Krylov\n"));
    103:     else PetscCall(PetscViewerASCIIPrintf(viewer,"  type of the initial subspace: Krylov\n"));
    104:     PetscCall(EPSXDGetRestart_XD(eps,&opi,&opi0));
    105:     PetscCall(PetscViewerASCIIPrintf(viewer,"  size of the subspace after restarting: %" PetscInt_FMT "\n",opi));
    106:     PetscCall(PetscViewerASCIIPrintf(viewer,"  number of vectors after restarting from the previous iteration: %" PetscInt_FMT "\n",opi0));
    107:   }
    108:   PetscFunctionReturn(PETSC_SUCCESS);
    109: }

    111: static PetscErrorCode EPSDestroy_GD(EPS eps)
    112: {
    113:   PetscFunctionBegin;
    114:   PetscCall(PetscFree(eps->data));
    115:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetKrylovStart_C",NULL));
    116:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetKrylovStart_C",NULL));
    117:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetBOrth_C",NULL));
    118:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetBOrth_C",NULL));
    119:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetBlockSize_C",NULL));
    120:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetBlockSize_C",NULL));
    121:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetRestart_C",NULL));
    122:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetRestart_C",NULL));
    123:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetInitialSize_C",NULL));
    124:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetInitialSize_C",NULL));
    125:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetDoubleExpansion_C",NULL));
    126:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetDoubleExpansion_C",NULL));
    127:   PetscFunctionReturn(PETSC_SUCCESS);
    128: }

    130: /*@
    131:    EPSGDSetKrylovStart - Activates or deactivates starting the searching
    132:    subspace with a Krylov basis.

    134:    Logically Collective

    136:    Input Parameters:
    137: +  eps - the eigenproblem solver context
    138: -  krylovstart - boolean flag

    140:    Options Database Key:
    141: .  -eps_gd_krylov_start - Activates starting the searching subspace with a
    142:     Krylov basis

    144:    Level: advanced

    146: .seealso: EPSGDGetKrylovStart()
    147: @*/
    148: PetscErrorCode EPSGDSetKrylovStart(EPS eps,PetscBool krylovstart)
    149: {
    150:   PetscFunctionBegin;
    153:   PetscTryMethod(eps,"EPSGDSetKrylovStart_C",(EPS,PetscBool),(eps,krylovstart));
    154:   PetscFunctionReturn(PETSC_SUCCESS);
    155: }

    157: /*@
    158:    EPSGDGetKrylovStart - Returns a flag indicating if the search subspace is started with a
    159:    Krylov basis.

    161:    Not Collective

    163:    Input Parameter:
    164: .  eps - the eigenproblem solver context

    166:    Output Parameters:
    167: .  krylovstart - boolean flag indicating if the search subspace is started
    168:    with a Krylov basis

    170:    Level: advanced

    172: .seealso: EPSGDSetKrylovStart()
    173: @*/
    174: PetscErrorCode EPSGDGetKrylovStart(EPS eps,PetscBool *krylovstart)
    175: {
    176:   PetscFunctionBegin;
    178:   PetscAssertPointer(krylovstart,2);
    179:   PetscUseMethod(eps,"EPSGDGetKrylovStart_C",(EPS,PetscBool*),(eps,krylovstart));
    180:   PetscFunctionReturn(PETSC_SUCCESS);
    181: }

    183: /*@
    184:    EPSGDSetBlockSize - Sets the number of vectors to be added to the searching space
    185:    in every iteration.

    187:    Logically Collective

    189:    Input Parameters:
    190: +  eps - the eigenproblem solver context
    191: -  blocksize - number of vectors added to the search space in every iteration

    193:    Options Database Key:
    194: .  -eps_gd_blocksize - number of vectors added to the search space in every iteration

    196:    Level: advanced

    198: .seealso: EPSGDSetKrylovStart()
    199: @*/
    200: PetscErrorCode EPSGDSetBlockSize(EPS eps,PetscInt blocksize)
    201: {
    202:   PetscFunctionBegin;
    205:   PetscTryMethod(eps,"EPSGDSetBlockSize_C",(EPS,PetscInt),(eps,blocksize));
    206:   PetscFunctionReturn(PETSC_SUCCESS);
    207: }

    209: /*@
    210:    EPSGDGetBlockSize - Returns the number of vectors to be added to the searching space
    211:    in every iteration.

    213:    Not Collective

    215:    Input Parameter:
    216: .  eps - the eigenproblem solver context

    218:    Output Parameter:
    219: .  blocksize - number of vectors added to the search space in every iteration

    221:    Level: advanced

    223: .seealso: EPSGDSetBlockSize()
    224: @*/
    225: PetscErrorCode EPSGDGetBlockSize(EPS eps,PetscInt *blocksize)
    226: {
    227:   PetscFunctionBegin;
    229:   PetscAssertPointer(blocksize,2);
    230:   PetscUseMethod(eps,"EPSGDGetBlockSize_C",(EPS,PetscInt*),(eps,blocksize));
    231:   PetscFunctionReturn(PETSC_SUCCESS);
    232: }

    234: /*@
    235:    EPSGDSetRestart - Sets the number of vectors of the searching space after
    236:    restarting and the number of vectors saved from the previous iteration.

    238:    Logically Collective

    240:    Input Parameters:
    241: +  eps - the eigenproblem solver context
    242: .  minv - number of vectors of the searching subspace after restarting
    243: -  plusk - number of vectors saved from the previous iteration

    245:    Options Database Keys:
    246: +  -eps_gd_minv - number of vectors of the searching subspace after restarting
    247: -  -eps_gd_plusk - number of vectors saved from the previous iteration

    249:    Note:
    250:    PETSC_CURRENT can be used to preserve the current value of any of the
    251:    arguments, and PETSC_DETERMINE to set them to a default value.

    253:    Level: advanced

    255: .seealso: EPSGDGetRestart()
    256: @*/
    257: PetscErrorCode EPSGDSetRestart(EPS eps,PetscInt minv,PetscInt plusk)
    258: {
    259:   PetscFunctionBegin;
    263:   PetscTryMethod(eps,"EPSGDSetRestart_C",(EPS,PetscInt,PetscInt),(eps,minv,plusk));
    264:   PetscFunctionReturn(PETSC_SUCCESS);
    265: }

    267: /*@
    268:    EPSGDGetRestart - Gets the number of vectors of the searching space after
    269:    restarting and the number of vectors saved from the previous iteration.

    271:    Not Collective

    273:    Input Parameter:
    274: .  eps - the eigenproblem solver context

    276:    Output Parameters:
    277: +  minv - number of vectors of the searching subspace after restarting
    278: -  plusk - number of vectors saved from the previous iteration

    280:    Level: advanced

    282: .seealso: EPSGDSetRestart()
    283: @*/
    284: PetscErrorCode EPSGDGetRestart(EPS eps,PetscInt *minv,PetscInt *plusk)
    285: {
    286:   PetscFunctionBegin;
    288:   PetscUseMethod(eps,"EPSGDGetRestart_C",(EPS,PetscInt*,PetscInt*),(eps,minv,plusk));
    289:   PetscFunctionReturn(PETSC_SUCCESS);
    290: }

    292: /*@
    293:    EPSGDSetInitialSize - Sets the initial size of the searching space.

    295:    Logically Collective

    297:    Input Parameters:
    298: +  eps - the eigenproblem solver context
    299: -  initialsize - number of vectors of the initial searching subspace

    301:    Options Database Key:
    302: .  -eps_gd_initial_size - number of vectors of the initial searching subspace

    304:    Notes:
    305:    If EPSGDGetKrylovStart() is PETSC_FALSE and the user provides vectors with
    306:    EPSSetInitialSpace(), up to initialsize vectors will be used; and if the
    307:    provided vectors are not enough, the solver completes the subspace with
    308:    random vectors. In the case of EPSGDGetKrylovStart() being PETSC_TRUE, the solver
    309:    gets the first vector provided by the user or, if not available, a random vector,
    310:    and expands the Krylov basis up to initialsize vectors.

    312:    Level: advanced

    314: .seealso: EPSGDGetInitialSize(), EPSGDGetKrylovStart()
    315: @*/
    316: PetscErrorCode EPSGDSetInitialSize(EPS eps,PetscInt initialsize)
    317: {
    318:   PetscFunctionBegin;
    321:   PetscTryMethod(eps,"EPSGDSetInitialSize_C",(EPS,PetscInt),(eps,initialsize));
    322:   PetscFunctionReturn(PETSC_SUCCESS);
    323: }

    325: /*@
    326:    EPSGDGetInitialSize - Returns the initial size of the searching space.

    328:    Not Collective

    330:    Input Parameter:
    331: .  eps - the eigenproblem solver context

    333:    Output Parameter:
    334: .  initialsize - number of vectors of the initial searching subspace

    336:    Notes:
    337:    If EPSGDGetKrylovStart() is PETSC_FALSE and the user provides vectors with
    338:    EPSSetInitialSpace(), up to initialsize vectors will be used; and if the
    339:    provided vectors are not enough, the solver completes the subspace with
    340:    random vectors. In the case of EPSGDGetKrylovStart() being PETSC_TRUE, the solver
    341:    gets the first vector provided by the user or, if not available, a random vector,
    342:    and expands the Krylov basis up to initialsize vectors.

    344:    Level: advanced

    346: .seealso: EPSGDSetInitialSize(), EPSGDGetKrylovStart()
    347: @*/
    348: PetscErrorCode EPSGDGetInitialSize(EPS eps,PetscInt *initialsize)
    349: {
    350:   PetscFunctionBegin;
    352:   PetscAssertPointer(initialsize,2);
    353:   PetscUseMethod(eps,"EPSGDGetInitialSize_C",(EPS,PetscInt*),(eps,initialsize));
    354:   PetscFunctionReturn(PETSC_SUCCESS);
    355: }

    357: /*@
    358:    EPSGDSetBOrth - Selects the orthogonalization that will be used in the search
    359:    subspace in case of generalized Hermitian problems.

    361:    Logically Collective

    363:    Input Parameters:
    364: +  eps   - the eigenproblem solver context
    365: -  borth - whether to B-orthogonalize the search subspace

    367:    Options Database Key:
    368: .  -eps_gd_borth - Set the orthogonalization used in the search subspace

    370:    Level: advanced

    372: .seealso: EPSGDGetBOrth()
    373: @*/
    374: PetscErrorCode EPSGDSetBOrth(EPS eps,PetscBool borth)
    375: {
    376:   PetscFunctionBegin;
    379:   PetscTryMethod(eps,"EPSGDSetBOrth_C",(EPS,PetscBool),(eps,borth));
    380:   PetscFunctionReturn(PETSC_SUCCESS);
    381: }

    383: /*@
    384:    EPSGDGetBOrth - Returns the orthogonalization used in the search
    385:    subspace in case of generalized Hermitian problems.

    387:    Not Collective

    389:    Input Parameter:
    390: .  eps - the eigenproblem solver context

    392:    Output Parameters:
    393: .  borth - whether to B-orthogonalize the search subspace

    395:    Level: advanced

    397: .seealso: EPSGDSetBOrth()
    398: @*/
    399: PetscErrorCode EPSGDGetBOrth(EPS eps,PetscBool *borth)
    400: {
    401:   PetscFunctionBegin;
    403:   PetscAssertPointer(borth,2);
    404:   PetscUseMethod(eps,"EPSGDGetBOrth_C",(EPS,PetscBool*),(eps,borth));
    405:   PetscFunctionReturn(PETSC_SUCCESS);
    406: }

    408: static PetscErrorCode EPSGDSetDoubleExpansion_GD(EPS eps,PetscBool doubleexp)
    409: {
    410:   EPS_DAVIDSON *data = (EPS_DAVIDSON*)eps->data;

    412:   PetscFunctionBegin;
    413:   data->doubleexp = doubleexp;
    414:   PetscFunctionReturn(PETSC_SUCCESS);
    415: }

    417: /*@
    418:    EPSGDSetDoubleExpansion - Activate the double expansion variant of GD.

    420:    Logically Collective

    422:    Input Parameters:
    423: +  eps - the eigenproblem solver context
    424: -  doubleexp - the boolean flag

    426:    Options Database Keys:
    427: .  -eps_gd_double_expansion - activate the double-expansion variant of GD

    429:    Notes:
    430:    In the double expansion variant the search subspace is expanded with K*[A*x B*x]
    431:    instead of the classic K*r, where K is the preconditioner, x the selected
    432:    approximate eigenvector and r its associated residual vector.

    434:    Level: advanced

    436: .seealso: EPSGDGetDoubleExpansion()
    437: @*/
    438: PetscErrorCode EPSGDSetDoubleExpansion(EPS eps,PetscBool doubleexp)
    439: {
    440:   PetscFunctionBegin;
    443:   PetscTryMethod(eps,"EPSGDSetDoubleExpansion_C",(EPS,PetscBool),(eps,doubleexp));
    444:   PetscFunctionReturn(PETSC_SUCCESS);
    445: }

    447: static PetscErrorCode EPSGDGetDoubleExpansion_GD(EPS eps,PetscBool *doubleexp)
    448: {
    449:   EPS_DAVIDSON *data = (EPS_DAVIDSON*)eps->data;

    451:   PetscFunctionBegin;
    452:   *doubleexp = data->doubleexp;
    453:   PetscFunctionReturn(PETSC_SUCCESS);
    454: }

    456: /*@
    457:    EPSGDGetDoubleExpansion - Gets a flag indicating whether the double
    458:    expansion variant has been activated or not.

    460:    Not Collective

    462:    Input Parameter:
    463: .  eps - the eigenproblem solver context

    465:    Output Parameter:
    466: .  doubleexp - the flag

    468:    Level: advanced

    470: .seealso: EPSGDSetDoubleExpansion()
    471: @*/
    472: PetscErrorCode EPSGDGetDoubleExpansion(EPS eps,PetscBool *doubleexp)
    473: {
    474:   PetscFunctionBegin;
    476:   PetscAssertPointer(doubleexp,2);
    477:   PetscUseMethod(eps,"EPSGDGetDoubleExpansion_C",(EPS,PetscBool*),(eps,doubleexp));
    478:   PetscFunctionReturn(PETSC_SUCCESS);
    479: }

    481: SLEPC_EXTERN PetscErrorCode EPSCreate_GD(EPS eps)
    482: {
    483:   EPS_DAVIDSON    *data;

    485:   PetscFunctionBegin;
    486:   PetscCall(PetscNew(&data));
    487:   eps->data = (void*)data;

    489:   data->blocksize   = 1;
    490:   data->initialsize = 0;
    491:   data->minv        = 0;
    492:   data->plusk       = PETSC_DETERMINE;
    493:   data->ipB         = PETSC_TRUE;
    494:   data->fix         = 0.0;
    495:   data->krylovstart = PETSC_FALSE;
    496:   data->dynamic     = PETSC_FALSE;

    498:   eps->useds = PETSC_TRUE;
    499:   eps->categ = EPS_CATEGORY_PRECOND;

    501:   eps->ops->solve          = EPSSolve_XD;
    502:   eps->ops->setup          = EPSSetUp_GD;
    503:   eps->ops->setupsort      = EPSSetUpSort_Default;
    504:   eps->ops->setfromoptions = EPSSetFromOptions_GD;
    505:   eps->ops->destroy        = EPSDestroy_GD;
    506:   eps->ops->reset          = EPSReset_XD;
    507:   eps->ops->view           = EPSView_GD;
    508:   eps->ops->backtransform  = EPSBackTransform_Default;
    509:   eps->ops->computevectors = EPSComputeVectors_XD;
    510:   eps->ops->setdefaultst   = EPSSetDefaultST_Precond;

    512:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetKrylovStart_C",EPSXDSetKrylovStart_XD));
    513:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetKrylovStart_C",EPSXDGetKrylovStart_XD));
    514:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetBOrth_C",EPSXDSetBOrth_XD));
    515:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetBOrth_C",EPSXDGetBOrth_XD));
    516:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetBlockSize_C",EPSXDSetBlockSize_XD));
    517:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetBlockSize_C",EPSXDGetBlockSize_XD));
    518:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetRestart_C",EPSXDSetRestart_XD));
    519:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetRestart_C",EPSXDGetRestart_XD));
    520:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetInitialSize_C",EPSXDSetInitialSize_XD));
    521:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetInitialSize_C",EPSXDGetInitialSize_XD));
    522:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDSetDoubleExpansion_C",EPSGDSetDoubleExpansion_GD));
    523:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSGDGetDoubleExpansion_C",EPSGDGetDoubleExpansion_GD));
    524:   PetscFunctionReturn(PETSC_SUCCESS);
    525: }