Actual source code: blopex.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:    This file implements a wrapper to the BLOPEX package
 12: */

 14: #include <slepc/private/epsimpl.h>                /*I "slepceps.h" I*/
 15: #include "slepc-interface.h"
 16: #include <blopex_lobpcg.h>
 17: #include <blopex_interpreter.h>
 18: #include <blopex_multivector.h>
 19: #include <blopex_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: {
 35:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)data;
 36:   MPI_Comm       comm = PetscObjectComm((PetscObject)blopex->st);
 37:   KSP            ksp;

 40:   STGetKSP(blopex->st,&ksp);CHKERRABORT(comm,ierr);
 41:   KSPSolve(ksp,(Vec)x,(Vec)y);CHKERRABORT(comm,ierr);
 42:   PetscFunctionReturnVoid();
 43: }

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

 50:   blopex->ii.Eval(Precond_FnSingleVector,data,x,y);
 51:   PetscFunctionReturnVoid();
 52: }

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

 64:   STGetNumMatrices(blopex->st,&nmat);CHKERRABORT(comm,ierr);
 65:   STGetMatrix(blopex->st,0,&A);CHKERRABORT(comm,ierr);
 66:   if (nmat>1) { STGetMatrix(blopex->st,1,&B);CHKERRABORT(comm,ierr); }
 67:   MatMult(A,(Vec)x,(Vec)y);CHKERRABORT(comm,ierr);
 68:   STGetShift(blopex->st,&sigma);CHKERRABORT(comm,ierr);
 69:   if (sigma != 0.0) {
 70:     if (nmat>1) {
 71:       MatMult(B,(Vec)x,blopex->w);CHKERRABORT(comm,ierr);
 72:     } else {
 73:       VecCopy((Vec)x,blopex->w);CHKERRABORT(comm,ierr);
 74:     }
 75:     VecAXPY((Vec)y,-sigma,blopex->w);CHKERRABORT(comm,ierr);
 76:   }
 77:   PetscFunctionReturnVoid();
 78: }

 80: static void OperatorAMultiVector(void *data,void *x,void *y)
 81: {
 82:   EPS_BLOPEX *blopex = (EPS_BLOPEX*)data;

 85:   blopex->ii.Eval(OperatorASingleVector,data,x,y);
 86:   PetscFunctionReturnVoid();
 87: }

 89: static void OperatorBSingleVector(void *data,void *x,void *y)
 90: {
 92:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)data;
 93:   MPI_Comm       comm = PetscObjectComm((PetscObject)blopex->st);
 94:   Mat            B;

 97:   STGetMatrix(blopex->st,1,&B);CHKERRABORT(comm,ierr);
 98:   MatMult(B,(Vec)x,(Vec)y);CHKERRABORT(comm,ierr);
 99:   PetscFunctionReturnVoid();
100: }

102: static void OperatorBMultiVector(void *data,void *x,void *y)
103: {
104:   EPS_BLOPEX *blopex = (EPS_BLOPEX*)data;

107:   blopex->ii.Eval(OperatorBSingleVector,data,x,y);
108:   PetscFunctionReturnVoid();
109: }

111: PetscErrorCode EPSSetDimensions_BLOPEX(EPS eps,PetscInt nev,PetscInt *ncv,PetscInt *mpd)
112: {
114:   EPS_BLOPEX     *ctx = (EPS_BLOPEX*)eps->data;
115:   PetscInt       k;

118:   k = ((eps->nev-1)/ctx->bs+1)*ctx->bs;
119:   if (*ncv) { /* ncv set */
120:     if (*ncv<k) SETERRQ(PetscObjectComm((PetscObject)eps),1,"The value of ncv is not sufficiently large");
121:   } else *ncv = k;
122:   if (!*mpd) *mpd = *ncv;
123:   else { PetscInfo(eps,"Warning: given value of mpd ignored\n"); }
124:   return(0);
125: }

127: PetscErrorCode EPSSetUp_BLOPEX(EPS eps)
128: {
129: #if defined(PETSC_MISSING_LAPACK_POTRF) || defined(PETSC_MISSING_LAPACK_SYGV)
131:   SETERRQ(PETSC_COMM_SELF,PETSC_ERR_SUP,"POTRF/SYGV - Lapack routines are unavailable");
132: #else
134:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)eps->data;
135:   PetscBool      istrivial,flg;

138:   if (!eps->ishermitian || (eps->isgeneralized && !eps->ispositive)) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"blopex only works for Hermitian problems");
139:   if (!blopex->bs) blopex->bs = PetscMin(16,eps->nev);
140:   EPSSetDimensions_BLOPEX(eps,eps->nev,&eps->ncv,&eps->mpd);
141:   if (!eps->max_it) eps->max_it = PetscMax(100,2*eps->n/eps->ncv);
142:   if (!eps->which) eps->which = EPS_SMALLEST_REAL;
143:   if (eps->which!=EPS_SMALLEST_REAL) SETERRQ(PetscObjectComm((PetscObject)eps),1,"Wrong value of eps->which");
144:   if (eps->arbitrary) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Arbitrary selection of eigenpairs not supported in this solver");
145:   if (eps->stopping!=EPSStoppingBasic) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"External packages do not support user-defined stopping test");
146:   if (eps->extraction) { PetscInfo(eps,"Warning: extraction type ignored\n"); }
147:   RGIsTrivial(eps->rg,&istrivial);
148:   if (!istrivial) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support region filtering");

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

152:   if (eps->converged == EPSConvergedRelative) {
153:     blopex->tol.absolute = 0.0;
154:     blopex->tol.relative = eps->tol==PETSC_DEFAULT?SLEPC_DEFAULT_TOL:eps->tol;
155:   } else if (eps->converged == EPSConvergedAbsolute) {
156:     blopex->tol.absolute = eps->tol==PETSC_DEFAULT?SLEPC_DEFAULT_TOL:eps->tol;
157:     blopex->tol.relative = 0.0;
158:   } else SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Convergence test not supported in this solver");

160:   SLEPCSetupInterpreter(&blopex->ii);

162:   /* allocate memory */
163:   if (!eps->V) { EPSGetBV(eps,&eps->V); }
164:   PetscObjectTypeCompareAny((PetscObject)eps->V,&flg,BVVECS,BVCONTIGUOUS,"");
165:   if (!flg) {  /* blopex only works with BVVECS or BVCONTIGUOUS */
166:     BVSetType(eps->V,BVCONTIGUOUS);
167:   }
168:   EPSAllocateSolution(eps,0);
169:   BVCreateVec(eps->V,&blopex->w);
170:   PetscLogObjectParent((PetscObject)eps,(PetscObject)blopex->w);

172: #if defined(PETSC_USE_COMPLEX)
173:   blopex->blap_fn.zpotrf = PETSC_zpotrf_interface;
174:   blopex->blap_fn.zhegv = PETSC_zsygv_interface;
175: #else
176:   blopex->blap_fn.dpotrf = PETSC_dpotrf_interface;
177:   blopex->blap_fn.dsygv = PETSC_dsygv_interface;
178: #endif
179:   return(0);
180: #endif
181: }

183: PetscErrorCode EPSSolve_BLOPEX(EPS eps)
184: {
185:   EPS_BLOPEX        *blopex = (EPS_BLOPEX*)eps->data;
186:   PetscScalar       sigma,*eigr=NULL;
187:   PetscReal         *errest=NULL;
188:   int               i,j,info,its,nconv;
189:   double            *residhist=NULL;
190:   PetscErrorCode    ierr;
191:   mv_MultiVectorPtr eigenvectors,constraints;
192: #if defined(PETSC_USE_COMPLEX)
193:   komplex           *lambda=NULL,*lambdahist=NULL;
194: #else
195:   double            *lambda=NULL,*lambdahist=NULL;
196: #endif

199:   STGetShift(eps->st,&sigma);
200:   PetscMalloc1(blopex->bs,&lambda);
201:   if (eps->numbermonitors>0) {
202:     PetscMalloc4(blopex->bs*(eps->max_it+1),&lambdahist,eps->ncv,&eigr,blopex->bs*(eps->max_it+1),&residhist,eps->ncv,&errest);
203:   }

205:   /* Complete the initial basis with random vectors */
206:   for (i=eps->nini;i<eps->ncv;i++) {
207:     BVSetRandomColumn(eps->V,i);
208:   }

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

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

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

222: #if defined(PETSC_USE_COMPLEX)
223:     info = lobpcg_solve_complex(eigenvectors,blopex,OperatorAMultiVector,
224:           eps->isgeneralized?blopex:NULL,eps->isgeneralized?OperatorBMultiVector:NULL,
225:           blopex,Precond_FnMultiVector,constraints,
226:           blopex->blap_fn,blopex->tol,eps->max_it,0,&its,
227:           lambda,lambdahist,blopex->bs,eps->errest+eps->nconv,residhist,blopex->bs);
228: #else
229:     info = lobpcg_solve_double(eigenvectors,blopex,OperatorAMultiVector,
230:           eps->isgeneralized?blopex:NULL,eps->isgeneralized?OperatorBMultiVector:NULL,
231:           blopex,Precond_FnMultiVector,constraints,
232:           blopex->blap_fn,blopex->tol,eps->max_it,0,&its,
233:           lambda,lambdahist,blopex->bs,eps->errest+eps->nconv,residhist,blopex->bs);
234: #endif
235:     if (info>0) SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"BLOPEX failed with exit code=%d",info);
236:     mv_MultiVectorDestroy(constraints);
237:     mv_MultiVectorDestroy(eigenvectors);

239:     for (j=0;j<blopex->bs;j++) {
240: #if defined(PETSC_USE_COMPLEX)
241:       eps->eigr[eps->nconv+j] = lambda[j].real+PETSC_i*lambda[j].imag;
242: #else
243:       eps->eigr[eps->nconv+j] = lambda[j];
244: #endif
245:     }

247:     if (eps->numbermonitors>0) {
248:       for (i=0;i<its;i++) {
249:         nconv = 0;
250:         for (j=0;j<blopex->bs;j++) {
251: #if defined(PETSC_USE_COMPLEX)
252:           eigr[eps->nconv+j] = lambdahist[j+i*blopex->bs].real+PETSC_i*lambdahist[j+i*blopex->bs].imag;
253: #else
254:           eigr[eps->nconv+j] = lambdahist[j+i*blopex->bs];
255: #endif
256:           errest[eps->nconv+j] = residhist[j+i*blopex->bs];
257:           if (residhist[j+i*blopex->bs]<=eps->tol) nconv++;
258:         }
259:         EPSMonitor(eps,eps->its+i,eps->nconv+nconv,eigr,eps->eigi,errest,eps->nconv+blopex->bs);
260:       }
261:     }

263:     eps->its += its;
264:     if (info==-1) {
265:       eps->reason = EPS_DIVERGED_ITS;
266:       break;
267:     } else {
268:       for (i=0;i<blopex->bs;i++) {
269:         if (sigma != 0.0) eps->eigr[eps->nconv+i] += sigma;
270:       }
271:       eps->nconv += blopex->bs;
272:       if (eps->nconv>=eps->nev) eps->reason = EPS_CONVERGED_TOL;
273:     }
274:   }

276:   PetscFree(lambda);
277:   if (eps->numbermonitors>0) {
278:     PetscFree4(lambdahist,eigr,residhist,errest);
279:   }
280:   return(0);
281: }

283: static PetscErrorCode EPSBLOPEXSetBlockSize_BLOPEX(EPS eps,PetscInt bs)
284: {
285:   EPS_BLOPEX *ctx = (EPS_BLOPEX*)eps->data;

288:   ctx->bs = bs;
289:   return(0);
290: }

292: /*@
293:    EPSBLOPEXSetBlockSize - Sets the block size of the BLOPEX solver.

295:    Logically Collective on EPS

297:    Input Parameters:
298: +  eps - the eigenproblem solver context
299: -  bs  - the block size

301:    Options Database Key:
302: .  -eps_blopex_blocksize - Sets the block size

304:    Level: advanced

306: .seealso: EPSBLOPEXGetBlockSize()
307: @*/
308: PetscErrorCode EPSBLOPEXSetBlockSize(EPS eps,PetscInt bs)
309: {

315:   PetscTryMethod(eps,"EPSBLOPEXSetBlockSize_C",(EPS,PetscInt),(eps,bs));
316:   return(0);
317: }

319: static PetscErrorCode EPSBLOPEXGetBlockSize_BLOPEX(EPS eps,PetscInt *bs)
320: {
321:   EPS_BLOPEX *ctx = (EPS_BLOPEX*)eps->data;

324:   *bs = ctx->bs;
325:   return(0);
326: }

328: /*@
329:    EPSBLOPEXGetBlockSize - Gets the block size used in the BLOPEX solver.

331:    Not Collective

333:    Input Parameter:
334: .  eps - the eigenproblem solver context

336:    Output Parameter:
337: .  bs - the block size

339:    Level: advanced

341: .seealso: EPSBLOPEXSetBlockSize()
342: @*/
343: PetscErrorCode EPSBLOPEXGetBlockSize(EPS eps,PetscInt *bs)
344: {

350:   PetscUseMethod(eps,"EPSBLOPEXGetBlockSize_C",(EPS,PetscInt*),(eps,bs));
351:   return(0);
352: }

354: PetscErrorCode EPSReset_BLOPEX(EPS eps)
355: {
357:   EPS_BLOPEX     *blopex = (EPS_BLOPEX*)eps->data;

360:   VecDestroy(&blopex->w);
361:   return(0);
362: }

364: PetscErrorCode EPSDestroy_BLOPEX(EPS eps)
365: {

369:   LOBPCG_DestroyRandomContext();
370:   PetscFree(eps->data);
371:   PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXSetBlockSize_C",NULL);
372:   PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXGetBlockSize_C",NULL);
373:   return(0);
374: }

376: PetscErrorCode EPSView_BLOPEX(EPS eps,PetscViewer viewer)
377: {
379:   EPS_BLOPEX     *ctx = (EPS_BLOPEX*)eps->data;
380:   PetscBool      isascii;

383:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);
384:   if (isascii) {
385:     PetscViewerASCIIPrintf(viewer,"  block size %D\n",ctx->bs);
386:   }
387:   return(0);
388: }

390: PetscErrorCode EPSSetFromOptions_BLOPEX(PetscOptionItems *PetscOptionsObject,EPS eps)
391: {
393:   PetscBool      flg;
394:   PetscInt       bs;

397:   PetscOptionsHead(PetscOptionsObject,"EPS BLOPEX Options");

399:     PetscOptionsInt("-eps_blopex_blocksize","Block size","EPSBLOPEXSetBlockSize",20,&bs,&flg);
400:     if (flg) { EPSBLOPEXSetBlockSize(eps,bs); }

402:   PetscOptionsTail();

404:   LOBPCG_SetFromOptionsRandomContext();
405:   return(0);
406: }

408: SLEPC_EXTERN PetscErrorCode EPSCreate_BLOPEX(EPS eps)
409: {
410:   EPS_BLOPEX     *ctx;

414:   PetscNewLog(eps,&ctx);
415:   eps->data = (void*)ctx;

417:   eps->categ = EPS_CATEGORY_PRECOND;

419:   eps->ops->solve          = EPSSolve_BLOPEX;
420:   eps->ops->setup          = EPSSetUp_BLOPEX;
421:   eps->ops->setfromoptions = EPSSetFromOptions_BLOPEX;
422:   eps->ops->destroy        = EPSDestroy_BLOPEX;
423:   eps->ops->reset          = EPSReset_BLOPEX;
424:   eps->ops->view           = EPSView_BLOPEX;
425:   eps->ops->backtransform  = EPSBackTransform_Default;
426:   eps->ops->setdefaultst   = EPSSetDefaultST_Precond;

428:   LOBPCG_InitRandomContext(PetscObjectComm((PetscObject)eps),NULL);
429:   PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXSetBlockSize_C",EPSBLOPEXSetBlockSize_BLOPEX);
430:   PetscObjectComposeFunction((PetscObject)eps,"EPSBLOPEXGetBlockSize_C",EPSBLOPEXGetBlockSize_BLOPEX);
431:   if (slepc_blopex_useconstr < 0) { PetscObjectComposedDataRegister(&slepc_blopex_useconstr); }
432:   return(0);
433: }