Actual source code: dvdupdatev.c

slepc-3.11.2 2019-07-30
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  1: /*
  2:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
  3:    SLEPc - Scalable Library for Eigenvalue Problem Computations
  4:    Copyright (c) 2002-2019, 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: "davidson"

 13:    Step: test for restarting, updateV, restartV
 14: */

 16: #include "davidson.h"

 18: typedef struct {
 19:   PetscInt          min_size_V;        /* restart with this number of eigenvectors */
 20:   PetscInt          plusk;             /* at restart, save plusk vectors from last iteration */
 21:   PetscInt          mpd;               /* max size of the searching subspace */
 22:   void              *old_updateV_data; /* old updateV data */
 23:   PetscErrorCode    (*old_isRestarting)(dvdDashboard*,PetscBool*);  /* old isRestarting */
 24:   Mat               oldU;              /* previous projected right igenvectors */
 25:   Mat               oldV;              /* previous projected left eigenvectors */
 26:   PetscInt          size_oldU;         /* size of oldU */
 27:   PetscBool         allResiduals;      /* if computing all the residuals */
 28: } dvdManagV_basic;

 30: static PetscErrorCode dvd_updateV_start(dvdDashboard *d)
 31: {
 32:   dvdManagV_basic *data = (dvdManagV_basic*)d->updateV_data;
 33:   PetscInt        i;

 36:   for (i=0;i<d->eps->ncv;i++) d->eigi[i] = 0.0;
 37:   d->nR = d->real_nR;
 38:   for (i=0;i<d->eps->ncv;i++) d->nR[i] = 1.0;
 39:   d->nX = d->real_nX;
 40:   for (i=0;i<d->eps->ncv;i++) d->errest[i] = 1.0;
 41:   data->size_oldU = 0;
 42:   d->nconv = 0;
 43:   d->npreconv = 0;
 44:   d->V_tra_s = d->V_tra_e = d->V_new_s = d->V_new_e = 0;
 45:   d->size_D = 0;
 46:   return(0);
 47: }

 49: static PetscErrorCode dvd_isrestarting_fullV(dvdDashboard *d,PetscBool *r)
 50: {
 51:   PetscErrorCode  ierr;
 52:   PetscInt        l,k;
 53:   PetscBool       restart;
 54:   dvdManagV_basic *data = (dvdManagV_basic*)d->updateV_data;

 57:   BVGetActiveColumns(d->eps->V,&l,&k);
 58:   restart = (k+2 > d->eps->ncv)? PETSC_TRUE: PETSC_FALSE;

 60:   /* Check old isRestarting function */
 61:   if (!restart && data->old_isRestarting) {
 62:     data->old_isRestarting(d,&restart);
 63:   }
 64:   *r = restart;
 65:   return(0);
 66: }

 68: static PetscErrorCode dvd_managementV_basic_d(dvdDashboard *d)
 69: {
 70:   PetscErrorCode  ierr;
 71:   dvdManagV_basic *data = (dvdManagV_basic*)d->updateV_data;

 74:   /* Restore changes in dvdDashboard */
 75:   d->updateV_data = data->old_updateV_data;

 77:   /* Free local data */
 78:   MatDestroy(&data->oldU);
 79:   MatDestroy(&data->oldV);
 80:   PetscFree(d->real_nR);
 81:   PetscFree(d->real_nX);
 82:   PetscFree(data);
 83:   return(0);
 84: }

 86: static PetscErrorCode dvd_updateV_conv_gen(dvdDashboard *d)
 87: {
 88:   dvdManagV_basic *data = (dvdManagV_basic*)d->updateV_data;
 89:   PetscInt        npreconv,cMT,cMTX,lV,kV,nV;
 90:   PetscErrorCode  ierr;
 91:   Mat             Z;
 92:   PetscBool       t;
 93: #if !defined(PETSC_USE_COMPLEX)
 94:   PetscInt        i;
 95: #endif

 98:   npreconv = d->npreconv;
 99:   /* Constrains the converged pairs to nev */
100: #if !defined(PETSC_USE_COMPLEX)
101:   /* Tries to maintain together conjugate eigenpairs */
102:   for (i=0; (i + (d->eigi[i]!=0.0?1:0) < npreconv) && (d->nconv + i < d->nev); i+= (d->eigi[i]!=0.0?2:1));
103:   npreconv = i;
104: #else
105:   npreconv = PetscMax(PetscMin(d->nev-d->nconv,npreconv),0);
106: #endif
107:   /* For GHEP without B-ortho, converge all of the requested pairs at once */
108:   PetscObjectTypeCompare((PetscObject)d->eps->ds,DSGHEP,&t);
109:   if (t && d->nconv+npreconv<d->nev) npreconv = 0;
110:   /* Quick exit */
111:   if (npreconv == 0) return(0);

113:   BVGetActiveColumns(d->eps->V,&lV,&kV);
114:   nV  = kV - lV;
115:   cMT = nV - npreconv;
116:   /* Harmonics restarts wiht right eigenvectors, and other with the left ones.
117:      If the problem is standard or hermitian, left and right vectors are the same */
118:   if (!(d->W||DVD_IS(d->sEP,DVD_EP_STD)||DVD_IS(d->sEP,DVD_EP_HERMITIAN))) {
119:     /* ps.Q <- [ps.Q(0:npreconv-1) ps.Z(npreconv:size_H-1)] */
120:     DSGetMat(d->eps->ds,DS_MAT_Z,&Z);
121:     DSCopyMat(d->eps->ds,DS_MAT_Q,0,npreconv,Z,0,npreconv,nV,cMT,PETSC_FALSE);
122:     MatDestroy(&Z);
123:   }
124:   if (DVD_IS(d->sEP,DVD_EP_INDEFINITE)) {
125:     DSPseudoOrthogonalize(d->eps->ds,DS_MAT_Q,nV,d->nBds,&cMTX,d->nBds);
126:   } else {
127:     DSOrthogonalize(d->eps->ds,DS_MAT_Q,nV,&cMTX);
128:   }
129:   cMT = cMTX - npreconv;

131:   if (d->W) {
132:     DSOrthogonalize(d->eps->ds,DS_MAT_Z,nV,&cMTX);
133:     cMT = PetscMin(cMT,cMTX - npreconv);
134:   }

136:   /* Lock the converged pairs */
137:   d->eigr+= npreconv;
138: #if !defined(PETSC_USE_COMPLEX)
139:   if (d->eigi) d->eigi+= npreconv;
140: #endif
141:   d->nconv+= npreconv;
142:   d->errest+= npreconv;
143:   /* Notify the changes in V and update the other subspaces */
144:   d->V_tra_s = npreconv;          d->V_tra_e = nV;
145:   d->V_new_s = cMT;               d->V_new_e = d->V_new_s;
146:   /* Remove oldU */
147:   data->size_oldU = 0;

149:   d->npreconv-= npreconv;
150:   return(0);
151: }

153: static PetscErrorCode dvd_updateV_restart_gen(dvdDashboard *d)
154: {
155:   dvdManagV_basic *data = (dvdManagV_basic*)d->updateV_data;
156:   PetscInt        lV,kV,nV,size_plusk,size_X,cMTX,cMTY,max_restart_size;
157:   Mat             Z;
158:   PetscErrorCode  ierr;

161:   /* Select size_X desired pairs from V */
162:   /* The restarted basis should:
163:      - have at least one spot to add a new direction;
164:      - keep converged vectors, npreconv;
165:      - keep at least 1 oldU direction if possible.
166:   */
167:   BVGetActiveColumns(d->eps->V,&lV,&kV);
168:   nV = kV - lV;
169:   max_restart_size = PetscMax(0,PetscMin(d->eps->mpd - 1,d->eps->ncv - lV - 2));
170:   size_X = PetscMin(PetscMin(data->min_size_V+d->npreconv,max_restart_size - (max_restart_size - d->npreconv > 1 && data->plusk > 0 && data->size_oldU > 0 ? 1 : 0)), nV);

172:   /* Add plusk eigenvectors from the previous iteration */
173:   size_plusk = PetscMax(0,PetscMin(PetscMin(PetscMin(data->plusk,data->size_oldU),max_restart_size - size_X),nV - size_X));

175:   d->size_MT = nV;
176:   /* ps.Q <- orth([pX(0:size_X-1) [oldU(0:size_plusk-1); 0] ]) */
177:   /* Harmonics restarts wiht right eigenvectors, and other with the left ones.
178:      If the problem is standard or hermitian, left and right vectors are the same */
179:   if (!(d->W||DVD_IS(d->sEP,DVD_EP_STD)||DVD_IS(d->sEP,DVD_EP_HERMITIAN))) {
180:     DSGetMat(d->eps->ds,DS_MAT_Z,&Z);
181:     DSCopyMat(d->eps->ds,DS_MAT_Q,0,0,Z,0,0,nV,size_X,PETSC_FALSE);
182:     MatDestroy(&Z);
183:   }
184:   if (size_plusk > 0 && DVD_IS(d->sEP,DVD_EP_INDEFINITE)) SETERRQ(PETSC_COMM_SELF,PETSC_ERR_SUP,"Unsupported plusk>0 in indefinite eigenvalue problems");
185:   if (size_plusk > 0) {
186:     DSCopyMat(d->eps->ds,DS_MAT_Q,0,size_X,data->oldU,0,0,nV,size_plusk,PETSC_FALSE);
187:   }
188:   if (DVD_IS(d->sEP,DVD_EP_INDEFINITE)) {
189:     DSPseudoOrthogonalize(d->eps->ds,DS_MAT_Q,size_X,d->nBds,&cMTX,d->nBds);
190:   } else {
191:     DSOrthogonalize(d->eps->ds,DS_MAT_Q,size_X+size_plusk,&cMTX);
192:   }

194:   if (d->W && size_plusk > 0) {
195:     /* ps.Z <- orth([ps.Z(0:size_X-1) [oldV(0:size_plusk-1); 0] ]) */
196:     DSCopyMat(d->eps->ds,DS_MAT_Z,0,size_X,data->oldV,0,0,nV,size_plusk,PETSC_FALSE);
197:     DSOrthogonalize(d->eps->ds,DS_MAT_Z,size_X+size_plusk,&cMTY);
198:     cMTX = PetscMin(cMTX, cMTY);
199:   }
200:   if (cMTX > size_X+size_plusk) SETERRQ(PETSC_COMM_SELF,PETSC_ERR_SUP,"Invalid number of columns to restart");

202:   /* Notify the changes in V and update the other subspaces */
203:   d->V_tra_s = 0;                     d->V_tra_e = cMTX;
204:   d->V_new_s = d->V_tra_e;            d->V_new_e = d->V_new_s;

206:   /* Remove oldU */
207:   data->size_oldU = 0;

209:   /* Remove npreconv */
210:   d->npreconv = 0;
211:   return(0);
212: }

214: static PetscErrorCode dvd_updateV_testConv(dvdDashboard *d,PetscInt s,PetscInt pre,PetscInt e,PetscInt *nConv)
215: {
216:   PetscInt        i,j,b;
217:   PetscReal       norm;
218:   PetscErrorCode  ierr;
219:   PetscBool       conv, c;
220:   dvdManagV_basic *data = (dvdManagV_basic*)d->updateV_data;

223:   if (nConv) *nConv = s;
224:   for (i=s,conv=PETSC_TRUE;(conv || data->allResiduals) && (i < e);i+=b) {
225: #if !defined(PETSC_USE_COMPLEX)
226:     b = d->eigi[i]!=0.0?2:1;
227: #else
228:     b = 1;
229: #endif
230:     if (i+b-1 >= pre) {
231:       d->calcpairs_residual(d,i,i+b);
232:     }
233:     /* Test the Schur vector */
234:     for (j=0,c=PETSC_TRUE;j<b && c;j++) {
235:       norm = d->nR[i+j]/d->nX[i+j];
236:       c = d->testConv(d,d->eigr[i+j],d->eigi[i+j],norm,&d->errest[i+j]);
237:     }
238:     if (conv && c) { if (nConv) *nConv = i+b; }
239:     else conv = PETSC_FALSE;
240:   }
241:   pre = PetscMax(pre,i);

243: #if !defined(PETSC_USE_COMPLEX)
244:   /* Enforce converged conjugate complex eigenpairs */
245:   if (nConv) {
246:     for (j=0;j<*nConv;j++) if (d->eigi[j] != 0.0) j++;
247:     if (j>*nConv) (*nConv)--;
248:   }
249: #endif
250:   for (i=pre;i<e;i++) d->errest[i] = d->nR[i] = 1.0;
251:   return(0);
252: }

254: static PetscErrorCode dvd_updateV_update_gen(dvdDashboard *d)
255: {
256:   dvdManagV_basic *data = (dvdManagV_basic*)d->updateV_data;
257:   PetscInt        size_D,s,lV,kV,nV;
258:   PetscErrorCode  ierr;

261:   /* Select the desired pairs */
262:   BVGetActiveColumns(d->eps->V,&lV,&kV);
263:   nV = kV - lV;
264:   size_D = PetscMin(PetscMin(PetscMin(d->bs,nV),d->eps->ncv-nV),nV);
265:   if (size_D == 0) return(0);

267:   /* Fill V with D */
268:   d->improveX(d,d->npreconv,d->npreconv+size_D,&size_D);

270:   /* If D is empty, exit */
271:   d->size_D = size_D;
272:   if (size_D == 0) return(0);

274:   /* Get the residual of all pairs */
275: #if !defined(PETSC_USE_COMPLEX)
276:   s = (d->eigi[0]!=0.0)? 2: 1;
277: #else
278:   s = 1;
279: #endif
280:   BVGetActiveColumns(d->eps->V,&lV,&kV);
281:   nV = kV - lV;
282:   dvd_updateV_testConv(d,s,s,data->allResiduals?nV:size_D,NULL);

284:   /* Notify the changes in V */
285:   d->V_tra_s = 0;                 d->V_tra_e = 0;
286:   d->V_new_s = nV;                d->V_new_e = nV+size_D;

288:   /* Save the projected eigenvectors */
289:   if (data->plusk > 0) {
290:     MatZeroEntries(data->oldU);
291:     data->size_oldU = nV;
292:     DSCopyMat(d->eps->ds,DS_MAT_Q,0,0,data->oldU,0,0,nV,nV,PETSC_TRUE);
293:     if (d->W) {
294:       MatZeroEntries(data->oldV);
295:       DSCopyMat(d->eps->ds,DS_MAT_Z,0,0,data->oldV,0,0,nV,nV,PETSC_TRUE);
296:     }
297:   }
298:   return(0);
299: }

301: static PetscErrorCode dvd_updateV_extrapol(dvdDashboard *d)
302: {
303:   dvdManagV_basic *data = (dvdManagV_basic*)d->updateV_data;
304:   PetscInt        i;
305:   PetscBool       restart,t;
306:   PetscErrorCode  ierr;

309:   /* TODO: restrict select pairs to each case */
310:   d->calcpairs_selectPairs(d, data->min_size_V+d->npreconv);

312:   /* If the subspaces doesn't need restart, add new vector */
313:   d->isRestarting(d,&restart);
314:   if (!restart) {
315:     d->size_D = 0;
316:     dvd_updateV_update_gen(d);

318:     /* If no vector were converged, exit */
319:     /* For GHEP without B-ortho, converge all of the requested pairs at once */
320:     PetscObjectTypeCompareAny((PetscObject)d->eps->ds,&t,DSGHEP,"");
321:     if (d->nconv+d->npreconv < d->nev && (t || d->npreconv == 0)) return(0);
322:   }

324:   /* If some eigenpairs were converged, lock them  */
325:   if (d->npreconv > 0) {
326:     i = d->npreconv;
327:     dvd_updateV_conv_gen(d);

329:     /* If some eigenpair was locked, exit */
330:     if (i > d->npreconv) return(0);
331:   }

333:   /* Else, a restarting is performed */
334:   dvd_updateV_restart_gen(d);
335:   return(0);
336: }

338: PetscErrorCode dvd_managementV_basic(dvdDashboard *d,dvdBlackboard *b,PetscInt bs,PetscInt mpd,PetscInt min_size_V,PetscInt plusk,PetscBool harm,PetscBool allResiduals)
339: {
340:   PetscErrorCode  ierr;
341:   dvdManagV_basic *data;
342: #if !defined(PETSC_USE_COMPLEX)
343:   PetscBool       her_probl,std_probl;
344: #endif

347:   /* Setting configuration constrains */
348: #if !defined(PETSC_USE_COMPLEX)
349:   /* if the last converged eigenvalue is complex its conjugate pair is also
350:      converged */
351:   her_probl = DVD_IS(d->sEP,DVD_EP_HERMITIAN)? PETSC_TRUE: PETSC_FALSE;
352:   std_probl = DVD_IS(d->sEP,DVD_EP_STD)? PETSC_TRUE: PETSC_FALSE;
353:   b->max_size_X = PetscMax(b->max_size_X,bs+((her_probl && std_probl)?0:1));
354: #else
355:   b->max_size_X = PetscMax(b->max_size_X,bs);
356: #endif

358:   b->max_size_V = PetscMax(b->max_size_V,mpd);
359:   min_size_V = PetscMin(min_size_V,mpd-bs);
360:   b->size_V = PetscMax(b->size_V,b->max_size_V+b->max_size_P+b->max_nev);
361:   b->max_size_oldX = plusk;

363:   /* Setup the step */
364:   if (b->state >= DVD_STATE_CONF) {
365:     PetscNewLog(d->eps,&data);
366:     data->mpd = b->max_size_V;
367:     data->min_size_V = min_size_V;
368:     d->bs = bs;
369:     data->plusk = plusk;
370:     data->allResiduals = allResiduals;

372:     d->eigr = d->eps->eigr;
373:     d->eigi = d->eps->eigi;
374:     d->errest = d->eps->errest;
375:     PetscMalloc1(d->eps->ncv,&d->real_nR);
376:     PetscMalloc1(d->eps->ncv,&d->real_nX);
377:     if (plusk > 0) { MatCreateSeqDense(PETSC_COMM_SELF,d->eps->ncv,d->eps->ncv,NULL,&data->oldU); }
378:     else data->oldU = NULL;
379:     if (harm && plusk>0) { MatCreateSeqDense(PETSC_COMM_SELF,d->eps->ncv,d->eps->ncv,NULL,&data->oldV); }
380:     else data->oldV = NULL;

382:     data->old_updateV_data = d->updateV_data;
383:     d->updateV_data = data;
384:     data->old_isRestarting = d->isRestarting;
385:     d->isRestarting = dvd_isrestarting_fullV;
386:     d->updateV = dvd_updateV_extrapol;
387:     d->preTestConv = dvd_updateV_testConv;
388:     EPSDavidsonFLAdd(&d->startList,dvd_updateV_start);
389:     EPSDavidsonFLAdd(&d->destroyList,dvd_managementV_basic_d);
390:   }
391:   return(0);
392: }