Actual source code: blopex.c

slepc-3.7.4 2017-05-17
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  1: /*
  2:    This file implements a wrapper to the BLOPEX package

  4:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
  5:    SLEPc - Scalable Library for Eigenvalue Problem Computations
  6:    Copyright (c) 2002-2016, Universitat Politecnica de Valencia, Spain

  8:    This file is part of SLEPc.

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

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

 19:    You  should have received a copy of the GNU Lesser General  Public  License
 20:    along with SLEPc. If not, see <http://www.gnu.org/licenses/>.
 21:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
 22: */

 24: #include <slepc/private/epsimpl.h>                /*I "slepceps.h" I*/
 25: #include "slepc-interface.h"
 26: #include <blopex_lobpcg.h>
 27: #include <blopex_interpreter.h>
 28: #include <blopex_multivector.h>
 29: #include <blopex_temp_multivector.h>

 31: PetscInt slepc_blopex_useconstr = -1;

 33: PetscErrorCode EPSSolve_BLOPEX(EPS);

 35: typedef struct {
 36:   lobpcg_Tolerance           tol;
 37:   lobpcg_BLASLAPACKFunctions blap_fn;
 38:   mv_InterfaceInterpreter    ii;
 39:   ST                         st;
 40:   Vec                        w;
 41:   PetscInt                   bs;     /* block size */
 42: } EPS_BLOPEX;

 46: static void Precond_FnSingleVector(void *data,void *x,void *y)
 47: {
 49:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)data;
 50:   MPI_Comm       comm = PetscObjectComm((PetscObject)blopex->st);
 51:   KSP            ksp;

 54:   STGetKSP(blopex->st,&ksp);CHKERRABORT(comm,ierr);
 55:   KSPSolve(ksp,(Vec)x,(Vec)y);CHKERRABORT(comm,ierr);
 56:   PetscFunctionReturnVoid();
 57: }

 61: static void Precond_FnMultiVector(void *data,void *x,void *y)
 62: {
 63:   EPS_BLOPEX *blopex = (EPS_BLOPEX*)data;

 66:   blopex->ii.Eval(Precond_FnSingleVector,data,x,y);
 67:   PetscFunctionReturnVoid();
 68: }

 72: static void OperatorASingleVector(void *data,void *x,void *y)
 73: {
 75:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)data;
 76:   MPI_Comm       comm = PetscObjectComm((PetscObject)blopex->st);
 77:   Mat            A,B;
 78:   PetscScalar    sigma;
 79:   PetscInt       nmat;

 82:   STGetNumMatrices(blopex->st,&nmat);CHKERRABORT(comm,ierr);
 83:   STGetOperators(blopex->st,0,&A);CHKERRABORT(comm,ierr);
 84:   if (nmat>1) { STGetOperators(blopex->st,1,&B);CHKERRABORT(comm,ierr); }
 85:   MatMult(A,(Vec)x,(Vec)y);CHKERRABORT(comm,ierr);
 86:   STGetShift(blopex->st,&sigma);CHKERRABORT(comm,ierr);
 87:   if (sigma != 0.0) {
 88:     if (nmat>1) {
 89:       MatMult(B,(Vec)x,blopex->w);CHKERRABORT(comm,ierr);
 90:     } else {
 91:       VecCopy((Vec)x,blopex->w);CHKERRABORT(comm,ierr);
 92:     }
 93:     VecAXPY((Vec)y,-sigma,blopex->w);CHKERRABORT(comm,ierr);
 94:   }
 95:   PetscFunctionReturnVoid();
 96: }

100: static void OperatorAMultiVector(void *data,void *x,void *y)
101: {
102:   EPS_BLOPEX *blopex = (EPS_BLOPEX*)data;

105:   blopex->ii.Eval(OperatorASingleVector,data,x,y);
106:   PetscFunctionReturnVoid();
107: }

111: static void OperatorBSingleVector(void *data,void *x,void *y)
112: {
114:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)data;
115:   MPI_Comm       comm = PetscObjectComm((PetscObject)blopex->st);
116:   Mat            B;

119:   STGetOperators(blopex->st,1,&B);CHKERRABORT(comm,ierr);
120:   MatMult(B,(Vec)x,(Vec)y);CHKERRABORT(comm,ierr);
121:   PetscFunctionReturnVoid();
122: }

126: static void OperatorBMultiVector(void *data,void *x,void *y)
127: {
128:   EPS_BLOPEX *blopex = (EPS_BLOPEX*)data;

131:   blopex->ii.Eval(OperatorBSingleVector,data,x,y);
132:   PetscFunctionReturnVoid();
133: }

137: PetscErrorCode EPSSetDimensions_BLOPEX(EPS eps,PetscInt nev,PetscInt *ncv,PetscInt *mpd)
138: {
140:   EPS_BLOPEX     *ctx = (EPS_BLOPEX*)eps->data;
141:   PetscInt       k;

144:   k = ((eps->nev-1)/ctx->bs+1)*ctx->bs;
145:   if (*ncv) { /* ncv set */
146:     if (*ncv<k) SETERRQ(PetscObjectComm((PetscObject)eps),1,"The value of ncv is not sufficiently large");
147:   } else *ncv = k;
148:   if (!*mpd) *mpd = *ncv;
149:   else { PetscInfo(eps,"Warning: given value of mpd ignored\n"); }
150:   return(0);
151: }

155: PetscErrorCode EPSSetUp_BLOPEX(EPS eps)
156: {
157: #if defined(PETSC_MISSING_LAPACK_POTRF) || defined(PETSC_MISSING_LAPACK_SYGV)
159:   SETERRQ(PETSC_COMM_SELF,PETSC_ERR_SUP,"POTRF/SYGV - Lapack routine is unavailable");
160: #else
162:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)eps->data;
163:   PetscBool      isPrecond,istrivial,flg;

166:   if (!eps->ishermitian || (eps->isgeneralized && !eps->ispositive)) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"blopex only works for Hermitian problems");
167:   if (!blopex->bs) blopex->bs = PetscMin(16,eps->nev);
168:   EPSSetDimensions_BLOPEX(eps,eps->nev,&eps->ncv,&eps->mpd);
169:   if (!eps->max_it) eps->max_it = PetscMax(100,2*eps->n/eps->ncv);
170:   if (!eps->which) eps->which = EPS_SMALLEST_REAL;
171:   if (eps->which!=EPS_SMALLEST_REAL) SETERRQ(PetscObjectComm((PetscObject)eps),1,"Wrong value of eps->which");
172:   if (eps->arbitrary) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Arbitrary selection of eigenpairs not supported in this solver");
173:   if (eps->stopping!=EPSStoppingBasic) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"External packages do not support user-defined stopping test");
174:   if (eps->extraction) { PetscInfo(eps,"Warning: extraction type ignored\n"); }
175:   RGIsTrivial(eps->rg,&istrivial);
176:   if (!istrivial) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support region filtering");

178:   STSetUp(eps->st);
179:   PetscObjectTypeCompare((PetscObject)eps->st,STPRECOND,&isPrecond);
180:   if (!isPrecond) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"blopex only works with STPRECOND");
181:   blopex->st = eps->st;

183:   if (eps->converged == EPSConvergedRelative) {
184:     blopex->tol.absolute = 0.0;
185:     blopex->tol.relative = eps->tol==PETSC_DEFAULT?SLEPC_DEFAULT_TOL:eps->tol;
186:   } else if (eps->converged == EPSConvergedAbsolute) {
187:     blopex->tol.absolute = eps->tol==PETSC_DEFAULT?SLEPC_DEFAULT_TOL:eps->tol;
188:     blopex->tol.relative = 0.0;
189:   } else SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Convergence test not supported in this solver");

191:   SLEPCSetupInterpreter(&blopex->ii);

193:   /* allocate memory */
194:   if (!eps->V) { EPSGetBV(eps,&eps->V); }
195:   PetscObjectTypeCompareAny((PetscObject)eps->V,&flg,BVVECS,BVCONTIGUOUS,"");
196:   if (!flg) {  /* blopex only works with BVVECS or BVCONTIGUOUS */
197:     BVSetType(eps->V,BVCONTIGUOUS);
198:   }
199:   EPSAllocateSolution(eps,0);
200:   BVCreateVec(eps->V,&blopex->w);
201:   PetscLogObjectParent((PetscObject)eps,(PetscObject)blopex->w);

203: #if defined(PETSC_USE_COMPLEX)
204:   blopex->blap_fn.zpotrf = PETSC_zpotrf_interface;
205:   blopex->blap_fn.zhegv = PETSC_zsygv_interface;
206: #else
207:   blopex->blap_fn.dpotrf = PETSC_dpotrf_interface;
208:   blopex->blap_fn.dsygv = PETSC_dsygv_interface;
209: #endif

211:   /* dispatch solve method */
212:   eps->ops->solve = EPSSolve_BLOPEX;
213:   return(0);
214: #endif
215: }

219: PetscErrorCode EPSSolve_BLOPEX(EPS eps)
220: {
221:   EPS_BLOPEX        *blopex = (EPS_BLOPEX*)eps->data;
222:   PetscScalar       sigma,*eigr=NULL;
223:   PetscReal         *errest=NULL;
224:   int               i,j,info,its,nconv;
225:   double            *residhist=NULL;
226:   PetscErrorCode    ierr;
227:   mv_MultiVectorPtr eigenvectors,constraints;
228: #if defined(PETSC_USE_COMPLEX)
229:   komplex           *lambda=NULL,*lambdahist=NULL;
230: #else
231:   double            *lambda=NULL,*lambdahist=NULL;
232: #endif

235:   STGetShift(eps->st,&sigma);
236:   PetscMalloc1(blopex->bs,&lambda);
237:   if (eps->numbermonitors>0) {
238:     PetscMalloc4(blopex->bs*(eps->max_it+1),&lambdahist,eps->ncv,&eigr,blopex->bs*(eps->max_it+1),&residhist,eps->ncv,&errest);
239:   }

241:   /* Complete the initial basis with random vectors */
242:   for (i=eps->nini;i<eps->ncv;i++) {
243:     BVSetRandomColumn(eps->V,i);
244:   }

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

248:     /* Create multivector of constraints from leading columns of V */
249:     PetscObjectComposedDataSetInt((PetscObject)eps->V,slepc_blopex_useconstr,1);
250:     BVSetActiveColumns(eps->V,0,eps->nconv);
251:     constraints = mv_MultiVectorCreateFromSampleVector(&blopex->ii,eps->nds+eps->nconv,eps->V);

253:     /* Create multivector where eigenvectors of this run will be stored */
254:     PetscObjectComposedDataSetInt((PetscObject)eps->V,slepc_blopex_useconstr,0);
255:     BVSetActiveColumns(eps->V,eps->nconv,eps->nconv+blopex->bs);
256:     eigenvectors = mv_MultiVectorCreateFromSampleVector(&blopex->ii,blopex->bs,eps->V);

258: #if defined(PETSC_USE_COMPLEX)
259:     info = lobpcg_solve_complex(eigenvectors,blopex,OperatorAMultiVector,
260:           eps->isgeneralized?blopex:NULL,eps->isgeneralized?OperatorBMultiVector:NULL,
261:           blopex,Precond_FnMultiVector,constraints,
262:           blopex->blap_fn,blopex->tol,eps->max_it,0,&its,
263:           lambda,lambdahist,blopex->bs,eps->errest+eps->nconv,residhist,blopex->bs);
264: #else
265:     info = lobpcg_solve_double(eigenvectors,blopex,OperatorAMultiVector,
266:           eps->isgeneralized?blopex:NULL,eps->isgeneralized?OperatorBMultiVector:NULL,
267:           blopex,Precond_FnMultiVector,constraints,
268:           blopex->blap_fn,blopex->tol,eps->max_it,0,&its,
269:           lambda,lambdahist,blopex->bs,eps->errest+eps->nconv,residhist,blopex->bs);
270: #endif
271:     if (info>0) SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"BLOPEX failed with exit code=%d",info);
272:     mv_MultiVectorDestroy(constraints);
273:     mv_MultiVectorDestroy(eigenvectors);

275:     for (j=0;j<blopex->bs;j++) {
276: #if defined(PETSC_USE_COMPLEX)
277:       eps->eigr[eps->nconv+j] = lambda[j].real+PETSC_i*lambda[j].imag;
278: #else
279:       eps->eigr[eps->nconv+j] = lambda[j];
280: #endif
281:     }

283:     if (eps->numbermonitors>0) {
284:       for (i=0;i<its;i++) {
285:         nconv = 0;
286:         for (j=0;j<blopex->bs;j++) {
287: #if defined(PETSC_USE_COMPLEX)
288:           eigr[eps->nconv+j] = lambdahist[j+i*blopex->bs].real+PETSC_i*lambdahist[j+i*blopex->bs].imag;
289: #else
290:           eigr[eps->nconv+j] = lambdahist[j+i*blopex->bs];
291: #endif
292:           errest[eps->nconv+j] = residhist[j+i*blopex->bs];
293:           if (residhist[j+i*blopex->bs]<=eps->tol) nconv++;
294:         }
295:         EPSMonitor(eps,eps->its+i,eps->nconv+nconv,eigr,eps->eigi,errest,eps->nconv+blopex->bs);
296:       }
297:     }

299:     eps->its += its;
300:     if (info==-1) {
301:       eps->reason = EPS_DIVERGED_ITS;
302:       break;
303:     } else {
304:       for (i=0;i<blopex->bs;i++) {
305:         if (sigma != 0.0) eps->eigr[eps->nconv+i] += sigma;
306:       }
307:       eps->nconv += blopex->bs;
308:       if (eps->nconv>=eps->nev) eps->reason = EPS_CONVERGED_TOL;
309:     }
310:   }

312:   PetscFree(lambda);
313:   if (eps->numbermonitors>0) {
314:     PetscFree4(lambdahist,eigr,residhist,errest);
315:   }
316:   return(0);
317: }

321: static PetscErrorCode EPSBLOPEXSetBlockSize_BLOPEX(EPS eps,PetscInt bs)
322: {
323:   EPS_BLOPEX *ctx = (EPS_BLOPEX*)eps->data;

326:   ctx->bs = bs;
327:   return(0);
328: }

332: /*@
333:    EPSBLOPEXSetBlockSize - Sets the block size of the BLOPEX solver.

335:    Logically Collective on EPS

337:    Input Parameters:
338: +  eps - the eigenproblem solver context
339: -  bs  - the block size

341:    Options Database Key:
342: .  -eps_blopex_blocksize - Sets the block size

344:    Level: advanced

346: .seealso: EPSBLOPEXGetBlockSize()
347: @*/
348: PetscErrorCode EPSBLOPEXSetBlockSize(EPS eps,PetscInt bs)
349: {

355:   PetscTryMethod(eps,"EPSBLOPEXSetBlockSize_C",(EPS,PetscInt),(eps,bs));
356:   return(0);
357: }

361: static PetscErrorCode EPSBLOPEXGetBlockSize_BLOPEX(EPS eps,PetscInt *bs)
362: {
363:   EPS_BLOPEX *ctx = (EPS_BLOPEX*)eps->data;

366:   *bs = ctx->bs;
367:   return(0);
368: }

372: /*@
373:    EPSBLOPEXGetBlockSize - Gets the block size used in the BLOPEX solver.

375:    Not Collective

377:    Input Parameter:
378: .  eps - the eigenproblem solver context

380:    Output Parameter:
381: .  bs - the block size

383:    Level: advanced

385: .seealso: EPSBLOPEXSetBlockSize()
386: @*/
387: PetscErrorCode EPSBLOPEXGetBlockSize(EPS eps,PetscInt *bs)
388: {

394:   PetscUseMethod(eps,"EPSBLOPEXGetBlockSize_C",(EPS,PetscInt*),(eps,bs));
395:   return(0);
396: }

400: PetscErrorCode EPSReset_BLOPEX(EPS eps)
401: {
403:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)eps->data;

406:   VecDestroy(&blopex->w);
407:   return(0);
408: }

412: PetscErrorCode EPSDestroy_BLOPEX(EPS eps)
413: {

417:   LOBPCG_DestroyRandomContext();
418:   PetscFree(eps->data);
419:   PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXSetBlockSize_C",NULL);
420:   PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXGetBlockSize_C",NULL);
421:   return(0);
422: }

426: PetscErrorCode EPSView_BLOPEX(EPS eps,PetscViewer viewer)
427: {
429:   EPS_BLOPEX     *ctx = (EPS_BLOPEX*)eps->data;
430:   PetscBool      isascii;

433:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);
434:   if (isascii) {
435:     PetscViewerASCIIPrintf(viewer,"  BLOPEX: block size %D\n",ctx->bs);
436:   }
437:   return(0);
438: }

442: PetscErrorCode EPSSetFromOptions_BLOPEX(PetscOptionItems *PetscOptionsObject,EPS eps)
443: {
445:   KSP            ksp;
446:   PetscBool      flg;
447:   PetscInt       bs;

450:   PetscOptionsHead(PetscOptionsObject,"EPS BLOPEX Options");
451:   PetscOptionsInt("-eps_blopex_blocksize","BLOPEX block size","EPSBLOPEXSetBlockSize",20,&bs,&flg);
452:   if (flg) {
453:     EPSBLOPEXSetBlockSize(eps,bs);
454:   }
455:   LOBPCG_SetFromOptionsRandomContext();

457:   /* Set STPrecond as the default ST */
458:   if (!((PetscObject)eps->st)->type_name) {
459:     STSetType(eps->st,STPRECOND);
460:   }
461:   STPrecondSetKSPHasMat(eps->st,PETSC_TRUE);

463:   /* Set the default options of the KSP */
464:   STGetKSP(eps->st,&ksp);
465:   if (!((PetscObject)ksp)->type_name) {
466:     KSPSetType(ksp,KSPPREONLY);
467:   }
468:   PetscOptionsTail();
469:   return(0);
470: }

474: PETSC_EXTERN PetscErrorCode EPSCreate_BLOPEX(EPS eps)
475: {
476:   EPS_BLOPEX     *ctx;

480:   PetscNewLog(eps,&ctx);
481:   eps->data = (void*)ctx;

483:   eps->ops->setup          = EPSSetUp_BLOPEX;
484:   eps->ops->setfromoptions = EPSSetFromOptions_BLOPEX;
485:   eps->ops->destroy        = EPSDestroy_BLOPEX;
486:   eps->ops->reset          = EPSReset_BLOPEX;
487:   eps->ops->view           = EPSView_BLOPEX;
488:   eps->ops->backtransform  = EPSBackTransform_Default;
489:   LOBPCG_InitRandomContext(PetscObjectComm((PetscObject)eps),NULL);
490:   PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXSetBlockSize_C",EPSBLOPEXSetBlockSize_BLOPEX);
491:   PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXGetBlockSize_C",EPSBLOPEXGetBlockSize_BLOPEX);
492:   if (slepc_blopex_useconstr < 0) { PetscObjectComposedDataRegister(&slepc_blopex_useconstr); }
493:   return(0);
494: }