Actual source code: feast.c

slepc-3.6.1 2015-09-03
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  1: /*
  2:    This file implements a wrapper to the FEAST package

  4:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
  5:    SLEPc - Scalable Library for Eigenvalue Problem Computations
  6:    Copyright (c) 2002-2015, 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 <../src/eps/impls/external/feast/feastp.h>

 27: PetscErrorCode EPSSolve_FEAST(EPS);

 31: PetscErrorCode EPSSetUp_FEAST(EPS eps)
 32: {
 34:   PetscInt       ncv;
 35:   PetscBool      issinv,flg;
 36:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
 37:   PetscMPIInt    size;

 40:   MPI_Comm_size(PetscObjectComm((PetscObject)eps),&size);
 41:   if (size!=1) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"The FEAST interface is supported for sequential runs only");
 42:   if (eps->ncv) {
 43:     if (eps->ncv<eps->nev+2) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The value of ncv must be at least nev+2");
 44:   } else eps->ncv = PetscMin(PetscMax(20,2*eps->nev+1),eps->n); /* set default value of ncv */
 45:   if (eps->mpd) { PetscInfo(eps,"Warning: parameter mpd ignored\n"); }
 46:   if (!eps->max_it) eps->max_it = PetscMax(300,(PetscInt)(2*eps->n/eps->ncv));
 47:   if (!eps->which) eps->which = EPS_ALL;

 49:   ncv = eps->ncv;
 50:   PetscFree4(ctx->work1,ctx->work2,ctx->Aq,ctx->Bq);
 51:   PetscMalloc4(eps->nloc*ncv,&ctx->work1,eps->nloc*ncv,&ctx->work2,ncv*ncv,&ctx->Aq,ncv*ncv,&ctx->Bq);
 52:   PetscLogObjectMemory((PetscObject)eps,(2*eps->nloc*ncv+2*ncv*ncv)*sizeof(PetscScalar));

 54:   if (!((PetscObject)(eps->st))->type_name) { /* default to shift-and-invert */
 55:     STSetType(eps->st,STSINVERT);
 56:   }
 57:   PetscObjectTypeCompareAny((PetscObject)eps->st,&issinv,STSINVERT,STCAYLEY,"");
 58:   if (!issinv) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Shift-and-invert or Cayley ST is needed for FEAST");

 60:   if (eps->extraction) { PetscInfo(eps,"Warning: extraction type ignored\n"); }

 62:   if (eps->which!=EPS_ALL || (eps->inta==0.0 && eps->intb==0.0)) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"FEAST must be used with a computational interval");
 63:   if (!eps->ishermitian) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"FEAST only available for symmetric/Hermitian eigenproblems");
 64:   if (eps->balance!=EPS_BALANCE_NONE) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Balancing not supported in the FEAST interface");
 65:   if (eps->arbitrary) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Arbitrary selection of eigenpairs not supported in this solver");

 67:   if (!ctx->npoints) ctx->npoints = 8;

 69:   EPSAllocateSolution(eps,0);
 70:   PetscObjectTypeCompare((PetscObject)eps->V,BVVECS,&flg);
 71:   if (flg) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver requires a BV with contiguous storage");
 72:   EPSSetWorkVecs(eps,1);

 74:   /* dispatch solve method */
 75:   eps->ops->solve = EPSSolve_FEAST;
 76:   return(0);
 77: }

 81: PetscErrorCode EPSSolve_FEAST(EPS eps)
 82: {
 84:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
 85:   PetscBLASInt   n,fpm[64],ijob,info,nev,ncv,loop;
 86:   PetscReal      *evals,epsout;
 87:   PetscInt       i,k,nmat;
 88:   PetscScalar    *pV,Ze;
 89:   Vec            v0,x,y,w = eps->work[0];
 90:   Mat            A,B;

 93:   PetscBLASIntCast(eps->nev,&nev);
 94:   PetscBLASIntCast(eps->ncv,&ncv);
 95:   PetscBLASIntCast(eps->nloc,&n);

 97:   /* parameters */
 98:   FEASTinit_(fpm);
 99:   fpm[0] = (eps->numbermonitors>0)? 1: 0;                      /* runtime comments */
100:   fpm[1] = ctx->npoints;                                       /* contour points */
101:   PetscBLASIntCast(eps->max_it,&fpm[3]);  /* refinement loops */
102: #if !defined(PETSC_HAVE_MPIUNI)
103:   PetscBLASIntCast(MPI_Comm_c2f(PetscObjectComm((PetscObject)eps)),&fpm[8]);
104: #endif

106:   PetscMalloc1(eps->ncv,&evals);
107:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)eps),1,eps->nloc,PETSC_DECIDE,NULL,&x);
108:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)eps),1,eps->nloc,PETSC_DECIDE,NULL,&y);
109:   BVGetColumn(eps->V,0,&v0);
110:   VecGetArray(v0,&pV);

112:   ijob = -1;           /* first call to reverse communication interface */
113:   STGetNumMatrices(eps->st,&nmat);
114:   STGetOperators(eps->st,0,&A);
115:   if (nmat>1) { STGetOperators(eps->st,1,&B); }
116:   else B = NULL;

118:   do {

120:     PetscStackCall("FEASTrci",FEASTrci_(&ijob,&n,&Ze,ctx->work1,ctx->work2,ctx->Aq,ctx->Bq,fpm,&epsout,&loop,&eps->inta,&eps->intb,&eps->ncv,evals,pV,&eps->nconv,eps->errest,&info));

122:     if (ncv!=eps->ncv) SETERRQ1(PetscObjectComm((PetscObject)eps),1,"FEAST changed value of ncv to %d",ncv);
123:     if (ijob == 10 || ijob == 20) {
124:       /* set new quadrature point */
125:       STSetShift(eps->st,-Ze);
126:     } else if (ijob == 11 || ijob == 21) {
127:       /* linear solve (A-sigma*B)\work2, overwrite work2 */
128:       for (k=0;k<ncv;k++) {
129:         VecPlaceArray(x,ctx->work2+eps->nloc*k);
130:         if (ijob == 11) {
131:           STMatSolve(eps->st,x,w);
132:         } else {
133:           STMatSolveTranspose(eps->st,x,w);
134:         }
135:         VecCopy(w,x);
136:         VecScale(x,-1.0);
137:         VecResetArray(x);
138:       }
139:     } else if (ijob == 30 || ijob == 40) {
140:       /* multiplication A*V or B*V, result in work1 */
141:       for (k=0;k<fpm[24];k++) {
142:         VecPlaceArray(x,&pV[(fpm[23]+k-1)*eps->nloc]);
143:         VecPlaceArray(y,&ctx->work1[(fpm[23]+k-1)*eps->nloc]);
144:         if (ijob == 30) {
145:           MatMult(A,x,y);
146:         } else if (nmat>1) {
147:           MatMult(B,x,y);
148:         } else {
149:           VecCopy(x,y);
150:         }
151:         VecResetArray(x);
152:         VecResetArray(y);
153:       }
154:     } else if (ijob != 0) SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Internal error in FEAST reverse comunication interface (ijob=%d)",ijob);

156:   } while (ijob != 0);

158:   eps->reason = EPS_CONVERGED_TOL;
159:   eps->its = loop;
160:   if (info!=0) {
161:     if (info==1) { /* No eigenvalue has been found in the proposed search interval */
162:       eps->nconv = 0;
163:     } else if (info==2) { /* FEAST did not converge "yet" */
164:       eps->reason = EPS_DIVERGED_ITS;
165:     } else SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by FEAST (%d)",info);
166:   }

168:   for (i=0;i<eps->nconv;i++) eps->eigr[i] = evals[i];

170:   VecRestoreArray(v0,&pV);
171:   BVRestoreColumn(eps->V,0,&v0);
172:   VecDestroy(&x);
173:   VecDestroy(&y);
174:   PetscFree(evals);
175:   return(0);
176: }

180: PetscErrorCode EPSReset_FEAST(EPS eps)
181: {
183:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;

186:   PetscFree4(ctx->work1,ctx->work2,ctx->Aq,ctx->Bq);
187:   return(0);
188: }

192: PetscErrorCode EPSDestroy_FEAST(EPS eps)
193: {

197:   PetscFree(eps->data);
198:   PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTSetNumPoints_C",NULL);
199:   PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTGetNumPoints_C",NULL);
200:   return(0);
201: }

205: PetscErrorCode EPSSetFromOptions_FEAST(PetscOptions *PetscOptionsObject,EPS eps)
206: {
208:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
209:   PetscInt       n;
210:   PetscBool      flg;

213:   PetscOptionsHead(PetscOptionsObject,"EPS FEAST Options");

215:   n = ctx->npoints;
216:   PetscOptionsInt("-eps_feast_num_points","Number of contour integration points","EPSFEASTSetNumPoints",n,&n,&flg);
217:   if (flg) {
218:     EPSFEASTSetNumPoints(eps,n);
219:   }

221:   PetscOptionsTail();
222:   return(0);
223: }

227: PetscErrorCode EPSView_FEAST(EPS eps,PetscViewer viewer)
228: {
230:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
231:   PetscBool      isascii;

234:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);
235:   if (isascii) {
236:     PetscViewerASCIIPrintf(viewer,"  FEAST: number of contour integration points=%d\n",ctx->npoints);
237:   }
238:   return(0);
239: }

243: static PetscErrorCode EPSFEASTSetNumPoints_FEAST(EPS eps,PetscInt npoints)
244: {
246:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;

249:   if (npoints == PETSC_DEFAULT) ctx->npoints = 8;
250:   else {
251:     PetscBLASIntCast(npoints,&ctx->npoints);
252:   }
253:   return(0);
254: }

258: /*@
259:    EPSFEASTSetNumPoints - Sets the number of contour integration points for
260:    the FEAST package.

262:    Collective on EPS

264:    Input Parameters:
265: +  eps     - the eigenproblem solver context
266: -  npoints - number of contour integration points

268:    Options Database Key:
269: .  -eps_feast_num_points - Sets the number of points

271:    Level: advanced

273: .seealso: EPSFEASTGetNumPoints()
274: @*/
275: PetscErrorCode EPSFEASTSetNumPoints(EPS eps,PetscInt npoints)
276: {

282:   PetscTryMethod(eps,"EPSFEASTSetNumPoints_C",(EPS,PetscInt),(eps,npoints));
283:   return(0);
284: }

288: static PetscErrorCode EPSFEASTGetNumPoints_FEAST(EPS eps,PetscInt *npoints)
289: {
290:   EPS_FEAST *ctx = (EPS_FEAST*)eps->data;

293:   if (npoints) *npoints = ctx->npoints;
294:   return(0);
295: }

299: /*@
300:    EPSFEASTGetNumPoints - Gets the number of contour integration points for
301:    the FEAST package.

303:    Collective on EPS

305:    Input Parameter:
306: .  eps     - the eigenproblem solver context

308:    Output Parameter:
309: -  npoints - number of contour integration points

311:    Level: advanced

313: .seealso: EPSFEASTSetNumPoints()
314: @*/
315: PetscErrorCode EPSFEASTGetNumPoints(EPS eps,PetscInt *npoints)
316: {

321:   PetscTryMethod(eps,"EPSFEASTSetNumPoints_C",(EPS,PetscInt*),(eps,npoints));
322:   return(0);
323: }

327: PETSC_EXTERN PetscErrorCode EPSCreate_FEAST(EPS eps)
328: {
329:   EPS_FEAST      *ctx;

333:   PetscNewLog(eps,&ctx);
334:   eps->data = (void*)ctx;

336:   eps->ops->setup                = EPSSetUp_FEAST;
337:   eps->ops->setfromoptions       = EPSSetFromOptions_FEAST;
338:   eps->ops->destroy              = EPSDestroy_FEAST;
339:   eps->ops->reset                = EPSReset_FEAST;
340:   eps->ops->view                 = EPSView_FEAST;
341:   PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTSetNumPoints_C",EPSFEASTSetNumPoints_FEAST);
342:   PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTGetNumPoints_C",EPSFEASTGetNumPoints_FEAST);
343:   return(0);
344: }