Actual source code: feast.c

  1: /*
  2:    This file implements a wrapper to the FEAST package

  4:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
  5:    SLEPc - Scalable Library for Eigenvalue Problem Computations
  6:    Copyright (c) 2002-2013, 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;
 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:   PetscFree(ctx->work1);
 51:   PetscMalloc(eps->nloc*ncv*sizeof(PetscScalar),&ctx->work1);
 52:   PetscFree(ctx->work2);
 53:   PetscMalloc(eps->nloc*ncv*sizeof(PetscScalar),&ctx->work2);
 54:   PetscLogObjectMemory(eps,2*eps->nloc*ncv*sizeof(PetscScalar));
 55:   PetscFree(ctx->Aq);
 56:   PetscMalloc(ncv*ncv*sizeof(PetscScalar),&ctx->Aq);
 57:   PetscFree(ctx->Bq);
 58:   PetscMalloc(ncv*ncv*sizeof(PetscScalar),&ctx->Bq);
 59:   PetscLogObjectMemory(eps,2*ncv*ncv*sizeof(PetscScalar));

 61:   if (!((PetscObject)(eps->st))->type_name) { /* default to shift-and-invert */
 62:     STSetType(eps->st,STSINVERT);
 63:   }
 64:   PetscObjectTypeCompareAny((PetscObject)eps->st,&issinv,STSINVERT,STCAYLEY,"");
 65:   if (!issinv) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Shift-and-invert or Cayley ST is needed for FEAST");

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

 69:   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");
 70:   if (!eps->ishermitian) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"FEAST only available for symmetric/Hermitian eigenproblems");
 71:   if (eps->balance!=EPS_BALANCE_NONE) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Balancing not supported in the Arpack interface");
 72:   if (eps->arbitrary) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Arbitrary selection of eigenpairs not supported in this solver");

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

 76:   EPSAllocateSolution(eps);
 77:   EPSSetWorkVecs(eps,1);

 79:   /* dispatch solve method */
 80:   if (eps->leftvecs) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Left vectors not supported in this solver");
 81:   eps->ops->solve = EPSSolve_FEAST;
 82:   return(0);
 83: }

 87: PetscErrorCode EPSSolve_FEAST(EPS eps)
 88: {
 90:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
 91:   PetscBLASInt   n,fpm[64],ijob,info,nev,ncv,loop;
 92:   PetscReal      *evals,epsout;
 93:   PetscInt       i,k,nmat;
 94:   PetscScalar    *pV,Ze;
 95:   Vec            x,y,w = eps->work[0];
 96:   Mat            A,B;

 99:   PetscBLASIntCast(eps->nev,&nev);
100:   PetscBLASIntCast(eps->ncv,&ncv);
101:   PetscBLASIntCast(eps->nloc,&n);

103:   /* parameters */
104:   FEASTinit_(fpm);
105:   fpm[0] = (eps->numbermonitors>0)? 1: 0;                      /* runtime comments */
106:   fpm[1] = ctx->npoints;                                       /* contour points */
107:   PetscBLASIntCast(eps->max_it,&fpm[3]);  /* refinement loops */
108: #if !defined(PETSC_HAVE_MPIUNI)
109:   PetscBLASIntCast(MPI_Comm_c2f(PetscObjectComm((PetscObject)eps)),&fpm[8]);
110: #endif

112:   PetscMalloc(eps->ncv*sizeof(PetscReal),&evals);
113:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)eps),1,eps->nloc,PETSC_DECIDE,NULL,&x);
114:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)eps),1,eps->nloc,PETSC_DECIDE,NULL,&y);
115:   VecGetArray(eps->V[0],&pV);

117:   ijob = -1;           /* first call to reverse communication interface */
118:   STGetNumMatrices(eps->st,&nmat);
119:   STGetOperators(eps->st,0,&A);
120:   if (nmat>1) { STGetOperators(eps->st,1,&B); }
121:   else B = NULL;

123:   do {

125:     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));

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

155:   } while (ijob != 0);

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

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

169:   VecRestoreArray(eps->V[0],&pV);
170:   VecDestroy(&x);
171:   VecDestroy(&y);
172:   PetscFree(evals);
173:   return(0);
174: }

178: PetscErrorCode EPSReset_FEAST(EPS eps)
179: {
181:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;

184:   PetscFree(ctx->work1);
185:   PetscFree(ctx->work2);
186:   PetscFree(ctx->Aq);
187:   PetscFree(ctx->Bq);
188:   EPSReset_Default(eps);
189:   return(0);
190: }

194: PetscErrorCode EPSDestroy_FEAST(EPS eps)
195: {

199:   PetscFree(eps->data);
200:   PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTSetNumPoints_C",NULL);
201:   PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTGetNumPoints_C",NULL);
202:   return(0);
203: }

207: PetscErrorCode EPSSetFromOptions_FEAST(EPS eps)
208: {
210:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
211:   PetscInt       n;
212:   PetscBool      flg;

215:   PetscOptionsHead("EPS FEAST Options");

217:   n = ctx->npoints;
218:   PetscOptionsInt("-eps_feast_num_points","Number of contour integration points","EPSFEASTSetNumPoints",n,&n,&flg);
219:   if (flg) {
220:     EPSFEASTSetNumPoints(eps,n);
221:   }

223:   PetscOptionsTail();
224:   return(0);
225: }

229: PetscErrorCode EPSView_FEAST(EPS eps,PetscViewer viewer)
230: {
232:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
233:   PetscBool      isascii;

236:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);
237:   if (isascii) {
238:     PetscViewerASCIIPrintf(viewer,"  FEAST: number of contour integration points=%d\n",ctx->npoints);
239:   }
240:   return(0);
241: }

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

251:   if (npoints == PETSC_DEFAULT) ctx->npoints = 8;
252:   else {
253:     PetscBLASIntCast(npoints,&ctx->npoints);
254:   }
255:   return(0);
256: }

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

264:    Collective on EPS

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

270:    Options Database Key:
271: .  -eps_feast_num_points - Sets the number of points

273:    Level: advanced

275: .seealso: EPSFEASTGetNumPoints()
276: @*/
277: PetscErrorCode EPSFEASTSetNumPoints(EPS eps,PetscInt npoints)
278: {

284:   PetscTryMethod(eps,"EPSFEASTSetNumPoints_C",(EPS,PetscInt),(eps,npoints));
285:   return(0);
286: }

290: static PetscErrorCode EPSFEASTGetNumPoints_FEAST(EPS eps,PetscInt *npoints)
291: {
292:   EPS_FEAST *ctx = (EPS_FEAST*)eps->data;

295:   if (npoints) *npoints = ctx->npoints;
296:   return(0);
297: }

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

305:    Collective on EPS

307:    Input Parameter:
308: .  eps     - the eigenproblem solver context

310:    Output Parameter:
311: -  npoints - number of contour integration points

313:    Level: advanced

315: .seealso: EPSFEASTSetNumPoints()
316: @*/
317: PetscErrorCode EPSFEASTGetNumPoints(EPS eps,PetscInt *npoints)
318: {

323:   PetscTryMethod(eps,"EPSFEASTSetNumPoints_C",(EPS,PetscInt*),(eps,npoints));
324:   return(0);
325: }

329: PETSC_EXTERN PetscErrorCode EPSCreate_FEAST(EPS eps)
330: {

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