Date: 2024-09-25T09:33:15+00:00

Actual source code: blopex.c
slepc-3.21.2 2024-09-25
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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:    This file implements a wrapper to the BLOPEX package
     12: */

     14: #include <slepc/private/epsimpl.h>
     15: #include "blopex.h"
     16: #include <lobpcg.h>
     17: #include <interpreter.h>
     18: #include <multivector.h>
     19: #include <temp_multivector.h>

     21: PetscInt slepc_blopex_useconstr = -1;

     23: typedef struct {
     24:   lobpcg_Tolerance           tol;
     25:   lobpcg_BLASLAPACKFunctions blap_fn;
     26:   mv_InterfaceInterpreter    ii;
     27:   ST                         st;
     28:   Vec                        w;
     29:   PetscInt                   bs;     /* block size */
     30: } EPS_BLOPEX;

     32: static void Precond_FnSingleVector(void *data,void *x,void *y)
     33: {
     34:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)data;
     35:   MPI_Comm       comm = PetscObjectComm((PetscObject)blopex->st);
     36:   KSP            ksp;

     38:   PetscFunctionBegin;
     39:   PetscCallAbort(comm,STGetKSP(blopex->st,&ksp));
     40:   PetscCallAbort(comm,KSPSolve(ksp,(Vec)x,(Vec)y));
     41:   PetscFunctionReturnVoid();
     42: }

     44: static void Precond_FnMultiVector(void *data,void *x,void *y)
     45: {
     46:   EPS_BLOPEX *blopex = (EPS_BLOPEX*)data;

     48:   PetscFunctionBegin;
     49:   blopex->ii.Eval(Precond_FnSingleVector,data,x,y);
     50:   PetscFunctionReturnVoid();
     51: }

     53: static void OperatorASingleVector(void *data,void *x,void *y)
     54: {
     55:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)data;
     56:   MPI_Comm       comm = PetscObjectComm((PetscObject)blopex->st);
     57:   Mat            A,B;
     58:   PetscScalar    sigma;
     59:   PetscInt       nmat;

     61:   PetscFunctionBegin;
     62:   PetscCallAbort(comm,STGetNumMatrices(blopex->st,&nmat));
     63:   PetscCallAbort(comm,STGetMatrix(blopex->st,0,&A));
     64:   if (nmat>1) PetscCallAbort(comm,STGetMatrix(blopex->st,1,&B));
     65:   PetscCallAbort(comm,MatMult(A,(Vec)x,(Vec)y));
     66:   PetscCallAbort(comm,STGetShift(blopex->st,&sigma));
     67:   if (sigma != 0.0) {
     68:     if (nmat>1) PetscCallAbort(comm,MatMult(B,(Vec)x,blopex->w));
     69:     else PetscCallAbort(comm,VecCopy((Vec)x,blopex->w));
     70:     PetscCallAbort(comm,VecAXPY((Vec)y,-sigma,blopex->w));
     71:   }
     72:   PetscFunctionReturnVoid();
     73: }

     75: static void OperatorAMultiVector(void *data,void *x,void *y)
     76: {
     77:   EPS_BLOPEX *blopex = (EPS_BLOPEX*)data;

     79:   PetscFunctionBegin;
     80:   blopex->ii.Eval(OperatorASingleVector,data,x,y);
     81:   PetscFunctionReturnVoid();
     82: }

     84: static void OperatorBSingleVector(void *data,void *x,void *y)
     85: {
     86:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)data;
     87:   MPI_Comm       comm = PetscObjectComm((PetscObject)blopex->st);
     88:   Mat            B;

     90:   PetscFunctionBegin;
     91:   PetscCallAbort(comm,STGetMatrix(blopex->st,1,&B));
     92:   PetscCallAbort(comm,MatMult(B,(Vec)x,(Vec)y));
     93:   PetscFunctionReturnVoid();
     94: }

     96: static void OperatorBMultiVector(void *data,void *x,void *y)
     97: {
     98:   EPS_BLOPEX *blopex = (EPS_BLOPEX*)data;

    100:   PetscFunctionBegin;
    101:   blopex->ii.Eval(OperatorBSingleVector,data,x,y);
    102:   PetscFunctionReturnVoid();
    103: }

    105: static PetscErrorCode EPSSetDimensions_BLOPEX(EPS eps,PetscInt nev,PetscInt *ncv,PetscInt *mpd)
    106: {
    107:   EPS_BLOPEX     *ctx = (EPS_BLOPEX*)eps->data;
    108:   PetscInt       k;

    110:   PetscFunctionBegin;
    111:   k = ((eps->nev-1)/ctx->bs+1)*ctx->bs;
    112:   if (*ncv!=PETSC_DEFAULT) { /* ncv set */
    113:     PetscCheck(*ncv>=k,PetscObjectComm((PetscObject)eps),PETSC_ERR_USER_INPUT,"The value of ncv is not sufficiently large");
    114:   } else *ncv = k;
    115:   if (*mpd==PETSC_DEFAULT) *mpd = *ncv;
    116:   else PetscCall(PetscInfo(eps,"Warning: given value of mpd ignored\n"));
    117:   PetscFunctionReturn(PETSC_SUCCESS);
    118: }

    120: static PetscErrorCode EPSSetUp_BLOPEX(EPS eps)
    121: {
    122:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)eps->data;
    123:   PetscBool      flg;
    124:   KSP            ksp;

    126:   PetscFunctionBegin;
    127:   EPSCheckHermitianDefinite(eps);
    128:   if (!blopex->bs) blopex->bs = PetscMin(16,eps->nev);
    129:   PetscCall(EPSSetDimensions_BLOPEX(eps,eps->nev,&eps->ncv,&eps->mpd));
    130:   if (eps->max_it==PETSC_DEFAULT) eps->max_it = PetscMax(100,2*eps->n/eps->ncv);
    131:   if (!eps->which) eps->which = EPS_SMALLEST_REAL;
    132:   PetscCheck(eps->which==EPS_SMALLEST_REAL,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver supports only smallest real eigenvalues");
    133:   EPSCheckUnsupported(eps,EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_STOPPING);
    134:   EPSCheckIgnored(eps,EPS_FEATURE_BALANCE | EPS_FEATURE_EXTRACTION);

    136:   blopex->st = eps->st;

    138:   PetscCheck(eps->converged==EPSConvergedRelative || eps->converged==EPSConvergedAbsolute,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Convergence test not supported in this solver");
    139:   if (eps->converged == EPSConvergedRelative) {
    140:     blopex->tol.absolute = 0.0;
    141:     blopex->tol.relative = SlepcDefaultTol(eps->tol);
    142:   } else {  /* EPSConvergedAbsolute */
    143:     blopex->tol.absolute = SlepcDefaultTol(eps->tol);
    144:     blopex->tol.relative = 0.0;
    145:   }

    147:   SLEPCSetupInterpreter(&blopex->ii);

    149:   PetscCall(STGetKSP(eps->st,&ksp));
    150:   PetscCall(PetscObjectTypeCompare((PetscObject)ksp,KSPPREONLY,&flg));
    151:   if (!flg) PetscCall(PetscInfo(eps,"Warning: ignoring KSP, should use KSPPREONLY\n"));

    153:   /* allocate memory */
    154:   if (!eps->V) PetscCall(EPSGetBV(eps,&eps->V));
    155:   PetscCall(PetscObjectTypeCompareAny((PetscObject)eps->V,&flg,BVVECS,BVCONTIGUOUS,""));
    156:   if (!flg) {  /* blopex only works with BVVECS or BVCONTIGUOUS */
    157:     PetscCall(BVSetType(eps->V,BVCONTIGUOUS));
    158:   }
    159:   PetscCall(EPSAllocateSolution(eps,0));
    160:   if (!blopex->w) PetscCall(BVCreateVec(eps->V,&blopex->w));

    162: #if defined(PETSC_USE_COMPLEX)
    163:   blopex->blap_fn.zpotrf = PETSC_zpotrf_interface;
    164:   blopex->blap_fn.zhegv = PETSC_zsygv_interface;
    165: #else
    166:   blopex->blap_fn.dpotrf = PETSC_dpotrf_interface;
    167:   blopex->blap_fn.dsygv = PETSC_dsygv_interface;
    168: #endif
    169:   PetscFunctionReturn(PETSC_SUCCESS);
    170: }

    172: static PetscErrorCode EPSSolve_BLOPEX(EPS eps)
    173: {
    174:   EPS_BLOPEX        *blopex = (EPS_BLOPEX*)eps->data;
    175:   PetscScalar       sigma,*eigr=NULL;
    176:   PetscReal         *errest=NULL;
    177:   int               i,j,info,its,nconv;
    178:   double            *residhist=NULL;
    179:   mv_MultiVectorPtr eigenvectors,constraints;
    180: #if defined(PETSC_USE_COMPLEX)
    181:   komplex           *lambda=NULL,*lambdahist=NULL;
    182: #else
    183:   double            *lambda=NULL,*lambdahist=NULL;
    184: #endif

    186:   PetscFunctionBegin;
    187:   PetscCall(STGetShift(eps->st,&sigma));
    188:   PetscCall(PetscMalloc1(blopex->bs,&lambda));
    189:   if (eps->numbermonitors>0) PetscCall(PetscMalloc4(blopex->bs*(eps->max_it+1),&lambdahist,eps->ncv,&eigr,blopex->bs*(eps->max_it+1),&residhist,eps->ncv,&errest));

    191:   /* Complete the initial basis with random vectors */
    192:   for (i=0;i<eps->nini;i++) {  /* in case the initial vectors were also set with VecSetRandom */
    193:     PetscCall(BVSetRandomColumn(eps->V,eps->nini));
    194:   }
    195:   for (i=eps->nini;i<eps->ncv;i++) PetscCall(BVSetRandomColumn(eps->V,i));

    197:   while (eps->reason == EPS_CONVERGED_ITERATING) {

    199:     /* Create multivector of constraints from leading columns of V */
    200:     PetscCall(PetscObjectComposedDataSetInt((PetscObject)eps->V,slepc_blopex_useconstr,1));
    201:     PetscCall(BVSetActiveColumns(eps->V,0,eps->nconv));
    202:     constraints = mv_MultiVectorCreateFromSampleVector(&blopex->ii,eps->nds+eps->nconv,eps->V);

    204:     /* Create multivector where eigenvectors of this run will be stored */
    205:     PetscCall(PetscObjectComposedDataSetInt((PetscObject)eps->V,slepc_blopex_useconstr,0));
    206:     PetscCall(BVSetActiveColumns(eps->V,eps->nconv,eps->nconv+blopex->bs));
    207:     eigenvectors = mv_MultiVectorCreateFromSampleVector(&blopex->ii,blopex->bs,eps->V);

    209: #if defined(PETSC_USE_COMPLEX)
    210:     info = lobpcg_solve_complex(eigenvectors,blopex,OperatorAMultiVector,
    211:           eps->isgeneralized?blopex:NULL,eps->isgeneralized?OperatorBMultiVector:NULL,
    212:           blopex,Precond_FnMultiVector,constraints,
    213:           blopex->blap_fn,blopex->tol,eps->max_it,0,&its,
    214:           lambda,lambdahist,blopex->bs,eps->errest+eps->nconv,residhist,blopex->bs);
    215: #else
    216:     info = lobpcg_solve_double(eigenvectors,blopex,OperatorAMultiVector,
    217:           eps->isgeneralized?blopex:NULL,eps->isgeneralized?OperatorBMultiVector:NULL,
    218:           blopex,Precond_FnMultiVector,constraints,
    219:           blopex->blap_fn,blopex->tol,eps->max_it,0,&its,
    220:           lambda,lambdahist,blopex->bs,eps->errest+eps->nconv,residhist,blopex->bs);
    221: #endif
    222:     PetscCheck(info==0,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"BLOPEX failed with exit code=%d",info);
    223:     mv_MultiVectorDestroy(constraints);
    224:     mv_MultiVectorDestroy(eigenvectors);

    226:     for (j=0;j<blopex->bs;j++) {
    227: #if defined(PETSC_USE_COMPLEX)
    228:       eps->eigr[eps->nconv+j] = PetscCMPLX(lambda[j].real,lambda[j].imag);
    229: #else
    230:       eps->eigr[eps->nconv+j] = lambda[j];
    231: #endif
    232:     }

    234:     if (eps->numbermonitors>0) {
    235:       for (i=0;i<its;i++) {
    236:         nconv = 0;
    237:         for (j=0;j<blopex->bs;j++) {
    238: #if defined(PETSC_USE_COMPLEX)
    239:           eigr[eps->nconv+j] = PetscCMPLX(lambdahist[j+i*blopex->bs].real,lambdahist[j+i*blopex->bs].imag);
    240: #else
    241:           eigr[eps->nconv+j] = lambdahist[j+i*blopex->bs];
    242: #endif
    243:           errest[eps->nconv+j] = residhist[j+i*blopex->bs];
    244:           if (residhist[j+i*blopex->bs]<=eps->tol) nconv++;
    245:         }
    246:         PetscCall(EPSMonitor(eps,eps->its+i,eps->nconv+nconv,eigr,eps->eigi,errest,eps->nconv+blopex->bs));
    247:       }
    248:     }

    250:     eps->its += its;
    251:     if (info==-1) {
    252:       eps->reason = EPS_DIVERGED_ITS;
    253:       break;
    254:     } else {
    255:       for (i=0;i<blopex->bs;i++) {
    256:         if (sigma != 0.0) eps->eigr[eps->nconv+i] += sigma;
    257:       }
    258:       eps->nconv += blopex->bs;
    259:       if (eps->nconv>=eps->nev) eps->reason = EPS_CONVERGED_TOL;
    260:     }
    261:   }

    263:   PetscCall(PetscFree(lambda));
    264:   if (eps->numbermonitors>0) PetscCall(PetscFree4(lambdahist,eigr,residhist,errest));
    265:   PetscFunctionReturn(PETSC_SUCCESS);
    266: }

    268: static PetscErrorCode EPSBLOPEXSetBlockSize_BLOPEX(EPS eps,PetscInt bs)
    269: {
    270:   EPS_BLOPEX *ctx = (EPS_BLOPEX*)eps->data;

    272:   PetscFunctionBegin;
    273:   if (bs==PETSC_DEFAULT) {
    274:     ctx->bs    = 0;
    275:     eps->state = EPS_STATE_INITIAL;
    276:   } else {
    277:     PetscCheck(bs>0,PETSC_COMM_SELF,PETSC_ERR_ARG_OUTOFRANGE,"Block size must be >0");
    278:     ctx->bs = bs;
    279:   }
    280:   PetscFunctionReturn(PETSC_SUCCESS);
    281: }

    283: /*@
    284:    EPSBLOPEXSetBlockSize - Sets the block size of the BLOPEX solver.

    286:    Logically Collective

    288:    Input Parameters:
    289: +  eps - the eigenproblem solver context
    290: -  bs  - the block size

    292:    Options Database Key:
    293: .  -eps_blopex_blocksize - Sets the block size

    295:    Level: advanced

    297: .seealso: EPSBLOPEXGetBlockSize()
    298: @*/
    299: PetscErrorCode EPSBLOPEXSetBlockSize(EPS eps,PetscInt bs)
    300: {
    301:   PetscFunctionBegin;
    304:   PetscTryMethod(eps,"EPSBLOPEXSetBlockSize_C",(EPS,PetscInt),(eps,bs));
    305:   PetscFunctionReturn(PETSC_SUCCESS);
    306: }

    308: static PetscErrorCode EPSBLOPEXGetBlockSize_BLOPEX(EPS eps,PetscInt *bs)
    309: {
    310:   EPS_BLOPEX *ctx = (EPS_BLOPEX*)eps->data;

    312:   PetscFunctionBegin;
    313:   *bs = ctx->bs;
    314:   PetscFunctionReturn(PETSC_SUCCESS);
    315: }

    317: /*@
    318:    EPSBLOPEXGetBlockSize - Gets the block size used in the BLOPEX solver.

    320:    Not Collective

    322:    Input Parameter:
    323: .  eps - the eigenproblem solver context

    325:    Output Parameter:
    326: .  bs - the block size

    328:    Level: advanced

    330: .seealso: EPSBLOPEXSetBlockSize()
    331: @*/
    332: PetscErrorCode EPSBLOPEXGetBlockSize(EPS eps,PetscInt *bs)
    333: {
    334:   PetscFunctionBegin;
    336:   PetscAssertPointer(bs,2);
    337:   PetscUseMethod(eps,"EPSBLOPEXGetBlockSize_C",(EPS,PetscInt*),(eps,bs));
    338:   PetscFunctionReturn(PETSC_SUCCESS);
    339: }

    341: static PetscErrorCode EPSReset_BLOPEX(EPS eps)
    342: {
    343:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)eps->data;

    345:   PetscFunctionBegin;
    346:   PetscCall(VecDestroy(&blopex->w));
    347:   PetscFunctionReturn(PETSC_SUCCESS);
    348: }

    350: static PetscErrorCode EPSDestroy_BLOPEX(EPS eps)
    351: {
    352:   PetscFunctionBegin;
    353:   LOBPCG_DestroyRandomContext();
    354:   PetscCall(PetscFree(eps->data));
    355:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXSetBlockSize_C",NULL));
    356:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXGetBlockSize_C",NULL));
    357:   PetscFunctionReturn(PETSC_SUCCESS);
    358: }

    360: static PetscErrorCode EPSView_BLOPEX(EPS eps,PetscViewer viewer)
    361: {
    362:   EPS_BLOPEX     *ctx = (EPS_BLOPEX*)eps->data;
    363:   PetscBool      isascii;

    365:   PetscFunctionBegin;
    366:   PetscCall(PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii));
    367:   if (isascii) PetscCall(PetscViewerASCIIPrintf(viewer,"  block size %" PetscInt_FMT "\n",ctx->bs));
    368:   PetscFunctionReturn(PETSC_SUCCESS);
    369: }

    371: static PetscErrorCode EPSSetFromOptions_BLOPEX(EPS eps,PetscOptionItems *PetscOptionsObject)
    372: {
    373:   PetscBool      flg;
    374:   PetscInt       bs;

    376:   PetscFunctionBegin;
    377:   PetscOptionsHeadBegin(PetscOptionsObject,"EPS BLOPEX Options");

    379:     PetscCall(PetscOptionsInt("-eps_blopex_blocksize","Block size","EPSBLOPEXSetBlockSize",20,&bs,&flg));
    380:     if (flg) PetscCall(EPSBLOPEXSetBlockSize(eps,bs));

    382:   PetscOptionsHeadEnd();

    384:   LOBPCG_SetFromOptionsRandomContext();
    385:   PetscFunctionReturn(PETSC_SUCCESS);
    386: }

    388: SLEPC_EXTERN PetscErrorCode EPSCreate_BLOPEX(EPS eps)
    389: {
    390:   EPS_BLOPEX     *ctx;

    392:   PetscFunctionBegin;
    393:   PetscCall(PetscNew(&ctx));
    394:   eps->data = (void*)ctx;

    396:   eps->categ = EPS_CATEGORY_PRECOND;

    398:   eps->ops->solve          = EPSSolve_BLOPEX;
    399:   eps->ops->setup          = EPSSetUp_BLOPEX;
    400:   eps->ops->setupsort      = EPSSetUpSort_Basic;
    401:   eps->ops->setfromoptions = EPSSetFromOptions_BLOPEX;
    402:   eps->ops->destroy        = EPSDestroy_BLOPEX;
    403:   eps->ops->reset          = EPSReset_BLOPEX;
    404:   eps->ops->view           = EPSView_BLOPEX;
    405:   eps->ops->backtransform  = EPSBackTransform_Default;
    406:   eps->ops->setdefaultst   = EPSSetDefaultST_GMRES;

    408:   LOBPCG_InitRandomContext(PetscObjectComm((PetscObject)eps),NULL);
    409:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXSetBlockSize_C",EPSBLOPEXSetBlockSize_BLOPEX));
    410:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXGetBlockSize_C",EPSBLOPEXGetBlockSize_BLOPEX));
    411:   if (slepc_blopex_useconstr < 0) PetscCall(PetscObjectComposedDataRegister(&slepc_blopex_useconstr));
    412:   PetscFunctionReturn(PETSC_SUCCESS);
    413: }