Actual source code: subspace.c

  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: "subspace"

 13:    Method: Subspace Iteration

 15:    Algorithm:

 17:        Subspace iteration with Rayleigh-Ritz projection and locking,
 18:        based on the SRRIT implementation.

 20:    References:

 22:        [1] "Subspace Iteration in SLEPc", SLEPc Technical Report STR-3,
 23:            available at https://slepc.upv.es.
 24: */

 26: #include <slepc/private/epsimpl.h>

 28: typedef struct {
 29:   PetscBool estimatedrange;     /* the filter range was not set by the user */
 30:   MatState  fstate;             /* state of matrix used to compute the filter */
 31: } EPS_SUBSPACE;

 33: static PetscErrorCode EPSSetUp_Subspace_Filter(EPS eps)
 34: {
 35:   EPS_SUBSPACE   *ctx = (EPS_SUBSPACE*)eps->data;
 36:   PetscBool      estimaterange=PETSC_TRUE,same;
 37:   PetscReal      rleft,rright;
 38:   Mat            A;

 40:   PetscFunctionBegin;
 41:   EPSCheckHermitianCondition(eps,PETSC_TRUE," with polynomial filter");
 42:   EPSCheckStandardCondition(eps,PETSC_TRUE," with polynomial filter");
 43:   PetscCheck(eps->intb<PETSC_MAX_REAL || eps->inta>PETSC_MIN_REAL,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"The defined computational interval should have at least one of their sides bounded");
 44:   EPSCheckUnsupportedCondition(eps,EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_EXTRACTION,PETSC_TRUE," with polynomial filter");
 45:   PetscCall(STFilterSetInterval(eps->st,eps->inta,eps->intb));
 46:   if (!ctx->estimatedrange) {
 47:     PetscCall(STFilterGetRange(eps->st,&rleft,&rright));
 48:     estimaterange = (!rleft && !rright)? PETSC_TRUE: PETSC_FALSE;
 49:   }
 50:   PetscCall(STGetMatrix(eps->st,0,&A));
 51:   PetscCall(MatStateCompareUpdate(A,&ctx->fstate,&same));
 52:   if (estimaterange && !same) { /* user did not set a range */
 53:     PetscCall(MatEstimateSpectralRange_EPS(A,&rleft,&rright));
 54:     PetscCall(PetscInfo(eps,"Setting eigenvalue range to [%g,%g]\n",(double)rleft,(double)rright));
 55:     PetscCall(STFilterSetRange(eps->st,rleft,rright));
 56:     ctx->estimatedrange = PETSC_TRUE;
 57:   }
 58:   PetscCall(EPSSetStoppingTest(eps,EPS_STOP_THRESHOLD));
 59:   PetscCall(EPSSetDimensions_Default(eps,&eps->nev,&eps->ncv,&eps->mpd));
 60:   PetscCheck(eps->ncv<=eps->nev+eps->mpd,PetscObjectComm((PetscObject)eps),PETSC_ERR_USER_INPUT,"The value of ncv must not be larger than nev+mpd");
 61:   PetscFunctionReturn(PETSC_SUCCESS);
 62: }

 64: static PetscErrorCode EPSSetUp_Subspace(EPS eps)
 65: {
 66:   PetscBool isfilt;

 68:   PetscFunctionBegin;
 69:   EPSCheckDefinite(eps);
 70:   EPSCheckNotStructured(eps);
 71:   if (eps->max_it==PETSC_DETERMINE) eps->max_it = PetscMax(100,2*eps->n/eps->ncv);
 72:   if (!eps->which) PetscCall(EPSSetWhichEigenpairs_Default(eps));
 73:   if (eps->which==EPS_ALL) {
 74:     PetscCall(PetscObjectTypeCompare((PetscObject)eps->st,STFILTER,&isfilt));
 75:     PetscCheck(isfilt,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Spectrum slicing not supported in this solver");
 76:     PetscCall(EPSSetUp_Subspace_Filter(eps));
 77:   } else {
 78:     PetscCheck(eps->which==EPS_LARGEST_MAGNITUDE || eps->which==EPS_TARGET_MAGNITUDE,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver supports only largest magnitude or target magnitude eigenvalues");
 79:     PetscCall(EPSSetDimensions_Default(eps,&eps->nev,&eps->ncv,&eps->mpd));
 80:   }
 81:   EPSCheckUnsupported(eps,EPS_FEATURE_ARBITRARY | EPS_FEATURE_EXTRACTION | EPS_FEATURE_TWOSIDED);
 82:   PetscCheck(eps->converged==EPSConvergedRelative,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver only supports relative convergence test");

 84:   PetscCall(EPSAllocateSolution(eps,0));
 85:   PetscCall(EPS_SetInnerProduct(eps));
 86:   if (eps->ishermitian) PetscCall(DSSetType(eps->ds,DSHEP));
 87:   else PetscCall(DSSetType(eps->ds,DSNHEP));
 88:   PetscCall(DSAllocate(eps->ds,eps->ncv));
 89:   PetscFunctionReturn(PETSC_SUCCESS);
 90: }

 92: static PetscErrorCode EPSSetUpSort_Subspace(EPS eps)
 93: {
 94:   SlepcSC sc;

 96:   PetscFunctionBegin;
 97:   PetscCall(EPSSetUpSort_Default(eps));
 98:   if (eps->which==EPS_ALL) {
 99:     PetscCall(DSGetSlepcSC(eps->ds,&sc));
100:     sc->rg            = NULL;
101:     sc->comparison    = SlepcCompareLargestReal;
102:     sc->comparisonctx = NULL;
103:     sc->map           = NULL;
104:     sc->mapobj        = NULL;
105:   }
106:   PetscFunctionReturn(PETSC_SUCCESS);
107: }

109: /*
110:    EPSSubspaceFindGroup - Find a group of nearly equimodular eigenvalues, provided
111:    in arrays wr and wi, according to the tolerance grptol. Also the 2-norms
112:    of the residuals must be passed in (rsd). Arrays are processed from index
113:    l to index m only. The output information is:

115:    ngrp - number of entries of the group
116:    ctr  - (w(l)+w(l+ngrp-1))/2
117:    ae   - average of wr(l),...,wr(l+ngrp-1)
118:    arsd - average of rsd(l),...,rsd(l+ngrp-1)
119: */
120: static PetscErrorCode EPSSubspaceFindGroup(PetscInt l,PetscInt m,PetscScalar *wr,PetscScalar *wi,PetscReal *rsd,PetscReal grptol,PetscInt *ngrp,PetscReal *ctr,PetscReal *ae,PetscReal *arsd)
121: {
122:   PetscInt  i;
123:   PetscReal rmod,rmod1;

125:   PetscFunctionBegin;
126:   *ngrp = 0;
127:   *ctr = 0;
128:   rmod = SlepcAbsEigenvalue(wr[l],wi[l]);

130:   for (i=l;i<m;) {
131:     rmod1 = SlepcAbsEigenvalue(wr[i],wi[i]);
132:     if (PetscAbsReal(rmod-rmod1) > grptol*(rmod+rmod1)) break;
133:     *ctr = (rmod+rmod1)/2.0;
134:     if (wi[i] == 0.0) {
135:       (*ngrp)++;
136:       i++;
137:     } else {
138:       (*ngrp)+=2;
139:       i+=2;
140:     }
141:   }

143:   *ae = 0;
144:   *arsd = 0;
145:   if (*ngrp) {
146:     for (i=l;i<l+*ngrp;i++) {
147:       (*ae) += PetscRealPart(wr[i]);
148:       (*arsd) += rsd[i]*rsd[i];
149:     }
150:     *ae = *ae / *ngrp;
151:     *arsd = PetscSqrtReal(*arsd / *ngrp);
152:   }
153:   PetscFunctionReturn(PETSC_SUCCESS);
154: }

156: /*
157:    EPSSubspaceResidualNorms - Computes the column norms of residual vectors
158:    OP*V(1:n,l:m) - V*T(1:m,l:m), where, on entry, OP*V has been computed and
159:    stored in R. On exit, rsd(l) to rsd(m) contain the computed norms.
160: */
161: static PetscErrorCode EPSSubspaceResidualNorms(BV R,BV V,Mat T,PetscInt l,PetscInt m,PetscScalar *eigi,PetscReal *rsd)
162: {
163:   PetscInt       i;

165:   PetscFunctionBegin;
166:   PetscCall(BVMult(R,-1.0,1.0,V,T));
167:   for (i=l;i<m;i++) PetscCall(BVNormColumnBegin(R,i,NORM_2,rsd+i));
168:   for (i=l;i<m;i++) PetscCall(BVNormColumnEnd(R,i,NORM_2,rsd+i));
169: #if !PetscDefined(USE_COMPLEX)
170:   for (i=l;i<m-1;i++) {
171:     if (eigi[i]!=0.0) {
172:       rsd[i]   = SlepcAbs(rsd[i],rsd[i+1]);
173:       rsd[i+1] = rsd[i];
174:       i++;
175:     }
176:   }
177: #endif
178:   PetscFunctionReturn(PETSC_SUCCESS);
179: }

181: static PetscErrorCode EPSSolve_Subspace(EPS eps)
182: {
183:   Mat            H,Q,S,T,B;
184:   BV             AV,R;
185:   PetscBool      indef;
186:   PetscInt       i,k,ngrp,nogrp,*itrsd,*itrsdold,*p_itrsd,*p_itrsdold;
187:   PetscInt       nxtsrr,idsrr,idort,nxtort,nv,its;
188:   PetscReal      arsd,oarsd,ctr,octr,ae,oae,*rsd,*orsd,*p_rsd,*p_orsd,tcond=1.0;
189:   PetscScalar    *oeigr,*oeigi,*p_oeigr,*p_oeigi;
190:   /* Parameters */
191:   PetscInt       init = 5;        /* Number of initial iterations */
192:   PetscReal      stpfac = 1.5;    /* Max num of iter before next SRR step */
193:   PetscReal      alpha = 1.0;     /* Used to predict convergence of next residual */
194:   PetscReal      beta = 1.1;      /* Used to predict convergence of next residual */
195:   PetscReal      grptol = SLEPC_DEFAULT_TOL;   /* Tolerance for EPSSubspaceFindGroup */
196:   PetscReal      cnvtol = 1e-6;   /* Convergence criterion for cnv */
197:   PetscInt       orttol = 2;      /* Number of decimal digits whose loss
198:                                      can be tolerated in orthogonalization */

200:   PetscFunctionBegin;
201:   its = 0;
202:   PetscCall(PetscMalloc6(eps->ncv,&rsd,eps->ncv,&orsd,eps->ncv,&oeigr,eps->ncv,&oeigi,eps->ncv,&itrsd,eps->ncv,&itrsdold));
203:   PetscCall(BVDuplicate(eps->V,&AV));
204:   PetscCall(BVDuplicate(eps->V,&R));
205:   PetscCall(STGetOperator(eps->st,&S));

207:   for (i=0;i<eps->ncv;i++) {
208:     rsd[i] = 0.0;
209:     itrsd[i] = -1;
210:   }

212:   /* Complete the initial basis with random vectors and orthonormalize them */
213:   for (k=eps->nini;k<eps->ncv;k++) {
214:     PetscCall(BVSetRandomColumn(eps->V,k));
215:     PetscCall(BVOrthonormalizeColumn(eps->V,k,PETSC_TRUE,NULL,NULL));
216:   }

218:   while (eps->reason == EPS_CONVERGED_ITERATING) {
219:     eps->its++;
220:     nv = PetscMin(eps->nconv+eps->mpd,eps->ncv);
221:     PetscCall(DSSetDimensions(eps->ds,nv,eps->nconv,0));

223:     for (i=eps->nconv;i<nv;i++) {
224:       oeigr[i] = eps->eigr[i];
225:       oeigi[i] = eps->eigi[i];
226:       orsd[i]  = rsd[i];
227:     }

229:     /* AV(:,idx) = OP * V(:,idx) */
230:     PetscCall(BVSetActiveColumns(eps->V,eps->nconv,nv));
231:     PetscCall(BVSetActiveColumns(AV,eps->nconv,nv));
232:     PetscCall(BVMatMult(eps->V,S,AV));

234:     /* T(:,idx) = V' * AV(:,idx) */
235:     PetscCall(BVSetActiveColumns(eps->V,0,nv));
236:     PetscCall(DSGetMat(eps->ds,DS_MAT_A,&H));
237:     PetscCall(BVDot(AV,eps->V,H));
238:     PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&H));
239:     PetscCall(DSSetState(eps->ds,DS_STATE_RAW));

241:     /* Solve projected problem */
242:     PetscCall(DSSolve(eps->ds,eps->eigr,eps->eigi));
243:     PetscCall(DSSort(eps->ds,eps->eigr,eps->eigi,NULL,NULL,NULL));
244:     PetscCall(DSSynchronize(eps->ds,eps->eigr,eps->eigi));

246:     /* Update vectors V(:,idx) = V * U(:,idx) */
247:     PetscCall(DSGetMat(eps->ds,DS_MAT_Q,&Q));
248:     PetscCall(BVSetActiveColumns(AV,0,nv));
249:     PetscCall(BVSetActiveColumns(R,0,nv));
250:     PetscCall(BVMultInPlace(eps->V,Q,eps->nconv,nv));
251:     PetscCall(BVMultInPlace(AV,Q,eps->nconv,nv));
252:     PetscCall(DSRestoreMat(eps->ds,DS_MAT_Q,&Q));
253:     PetscCall(BVCopy(AV,R));

255:     /* Convergence check */
256:     PetscCall(DSGetMat(eps->ds,DS_MAT_A,&T));
257:     PetscCall(EPSSubspaceResidualNorms(R,eps->V,T,eps->nconv,nv,eps->eigi,rsd));
258:     PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&T));

260:     for (i=eps->nconv;i<nv;i++) {
261:       itrsdold[i] = itrsd[i];
262:       itrsd[i] = its;
263:       eps->errest[i] = rsd[i];
264:     }

266:     for (;;) {
267:       /* Find clusters of computed eigenvalues */
268:       PetscCall(EPSSubspaceFindGroup(eps->nconv,nv,eps->eigr,eps->eigi,eps->errest,grptol,&ngrp,&ctr,&ae,&arsd));
269:       PetscCall(EPSSubspaceFindGroup(eps->nconv,nv,oeigr,oeigi,orsd,grptol,&nogrp,&octr,&oae,&oarsd));
270:       if (ngrp!=nogrp) break;
271:       if (ngrp==0) break;
272:       if (PetscAbsReal(ae-oae)>ctr*cnvtol*(itrsd[eps->nconv]-itrsdold[eps->nconv])) break;
273:       if (arsd>ctr*eps->tol) break;
274:       eps->nconv = eps->nconv + ngrp;
275:       if (eps->nconv>=nv) break;
276:     }

278:     PetscCall(EPSMonitor(eps,eps->its,eps->nconv,eps->eigr,eps->eigi,eps->errest,nv));
279:     EPSSetCtxThreshold(eps,eps->eigr,eps->eigi,eps->errest,eps->nconv,nv);
280:     PetscCall((*eps->stopping)(eps,eps->its,eps->max_it,eps->nconv,eps->nev,&eps->reason,eps->stoppingctx));
281:     if (eps->reason != EPS_CONVERGED_ITERATING) break;

283:     /* Compute nxtsrr (iteration of next projection step) */
284:     nxtsrr = PetscMax((PetscInt)PetscFloorReal(stpfac*its),init);

286:     if (ngrp!=nogrp || ngrp==0 || arsd>=oarsd) {
287:       idsrr = nxtsrr - its;
288:     } else {
289:       idsrr = (PetscInt)PetscFloorReal(alpha+beta*(itrsdold[eps->nconv]-itrsd[eps->nconv])*PetscLogReal(arsd/eps->tol)/PetscLogReal(arsd/oarsd));
290:       idsrr = PetscMax(1,idsrr);
291:     }
292:     nxtsrr = PetscMin(nxtsrr,its+idsrr);

294:     /* Compute nxtort (iteration of next orthogonalization step) */
295:     PetscCall(DSCond(eps->ds,&tcond));
296:     idort = PetscMax(1,(PetscInt)PetscFloorReal(orttol/PetscMax(1,PetscLog10Real(tcond))));
297:     nxtort = PetscMin(its+idort,nxtsrr);
298:     PetscCall(PetscInfo(eps,"Updated iteration counts: nxtort=%" PetscInt_FMT ", nxtsrr=%" PetscInt_FMT "\n",nxtort,nxtsrr));

300:     /* V(:,idx) = AV(:,idx) */
301:     PetscCall(BVSetActiveColumns(eps->V,eps->nconv,nv));
302:     PetscCall(BVSetActiveColumns(AV,eps->nconv,nv));
303:     PetscCall(BVCopy(AV,eps->V));
304:     its++;

306:     /* Orthogonalization loop */
307:     do {
308:       PetscCall(BVGetMatrix(eps->V,&B,&indef));
309:       PetscCall(BVSetMatrix(eps->V,NULL,PETSC_FALSE));
310:       while (its<nxtort) {
311:         /* A(:,idx) = OP*V(:,idx) with normalization */
312:         PetscCall(BVMatMult(eps->V,S,AV));
313:         PetscCall(BVCopy(AV,eps->V));
314:         PetscCall(BVNormalize(eps->V,NULL));
315:         its++;
316:       }
317:       PetscCall(BVSetMatrix(eps->V,B,indef));
318:       /* Orthonormalize vectors */
319:       PetscCall(BVOrthogonalize(eps->V,NULL));
320:       nxtort = PetscMin(its+idort,nxtsrr);
321:     } while (its<nxtsrr);

323:     if (eps->stop==EPS_STOP_THRESHOLD && nv/(PetscReal)eps->nconv<1.3) {  /* reallocate */
324:       eps->ncv = 1.3*eps->nconv+1;
325:       PetscCall(EPSReallocateSolution(eps,eps->ncv));
326:       PetscCall(BVResize(AV,eps->ncv,PETSC_TRUE));
327:       PetscCall(BVResize(R,eps->ncv,PETSC_TRUE));
328:       for (i=nv;i<eps->ncv;i++) eps->perm[i] = i;
329:       PetscCall(DSReallocate(eps->ds,eps->ncv));
330:       for (k=nv;k<eps->ncv;k++) {
331:         PetscCall(BVSetRandomColumn(eps->V,k));
332:         PetscCall(BVOrthonormalizeColumn(eps->V,k,PETSC_TRUE,NULL,NULL));
333:       }
334:       p_rsd      = rsd;
335:       p_orsd     = orsd;
336:       p_oeigr    = oeigr;
337:       p_oeigi    = oeigi;
338:       p_itrsd    = itrsd;
339:       p_itrsdold = itrsdold;
340:       PetscCall(PetscMalloc6(eps->ncv,&rsd,eps->ncv,&orsd,eps->ncv,&oeigr,eps->ncv,&oeigi,eps->ncv,&itrsd,eps->ncv,&itrsdold));
341:       for (i=0;i<nv;i++) {
342:         rsd[i]      = p_rsd[i];
343:         orsd[i]     = p_orsd[i];
344:         oeigr[i]    = p_oeigr[i];
345:         oeigi[i]    = p_oeigi[i];
346:         itrsd[i]    = p_itrsd[i];
347:         itrsdold[i] = p_itrsdold[i];
348:       }
349:       PetscCall(PetscFree6(p_rsd,p_orsd,p_oeigr,p_oeigi,p_itrsd,p_itrsdold));
350:     }

352:   }

354:   PetscCall(PetscFree6(rsd,orsd,oeigr,oeigi,itrsd,itrsdold));
355:   PetscCall(BVDestroy(&AV));
356:   PetscCall(BVDestroy(&R));
357:   PetscCall(STRestoreOperator(eps->st,&S));
358:   PetscCall(DSTruncate(eps->ds,eps->nconv,PETSC_TRUE));
359:   PetscFunctionReturn(PETSC_SUCCESS);
360: }

362: static PetscErrorCode EPSDestroy_Subspace(EPS eps)
363: {
364:   PetscFunctionBegin;
365:   PetscCall(PetscFree(eps->data));
366:   PetscFunctionReturn(PETSC_SUCCESS);
367: }

369: /*MC
370:    EPSSUBSPACE - EPSSUBSPACE = "subspace" - The simple subspace iteration method.

372:    Notes:
373:    This solver is very basic and is not recommended in general, since it
374:    will not be competitive with respect to other solvers.

376:    The implemented method is subspace iteration with Rayleigh-Ritz projection and
377:    locking, based on the SRRIT code {cite:p}`Bai97`.

379:    Level: beginner

381: .seealso: [](ch:eps), `EPS`, `EPSType`, `EPSSetType()`
382: M*/
383: SLEPC_EXTERN PetscErrorCode EPSCreate_Subspace(EPS eps)
384: {
385:   EPS_SUBSPACE *ctx;

387:   PetscFunctionBegin;
388:   PetscCall(PetscNew(&ctx));
389:   eps->data  = (void*)ctx;

391:   eps->useds = PETSC_TRUE;
392:   eps->categ = EPS_CATEGORY_OTHER;

394:   eps->ops->solve          = EPSSolve_Subspace;
395:   eps->ops->setup          = EPSSetUp_Subspace;
396:   eps->ops->setupsort      = EPSSetUpSort_Subspace;
397:   eps->ops->destroy        = EPSDestroy_Subspace;
398:   eps->ops->backtransform  = EPSBackTransform_Default;
399:   eps->ops->computevectors = EPSComputeVectors_Schur;
400:   PetscFunctionReturn(PETSC_SUCCESS);
401: }