Date: 2013-09-02T10:05:16+00:00

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:         if (ijob == 30) {
    150:           MatMult(A,x,y);
    151:         } else if (nmat>1) {
    152:           MatMult(B,x,y);
    153:         } else {
    154:           VecCopy(x,y);
    155:         }
    156:         VecResetArray(x);
    157:         VecResetArray(y);
    158:       }
    159:     } else if (ijob != 0) SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Internal error in FEAST reverse comunication interface (ijob=%d)",ijob);

    161:   } while (ijob != 0);

    163:   eps->reason = EPS_CONVERGED_TOL;
    164:   eps->its = loop;
    165:   if (info!=0) {
    166:     if (info==1) { /* No eigenvalue has been found in the proposed search interval */
    167:       eps->nconv = 0;
    168:     } else if (info==2) { /* FEAST did not converge "yet" */
    169:       eps->reason = EPS_DIVERGED_ITS;
    170:     } else SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by FEAST (%d)",info);
    171:   }

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

    175:   VecRestoreArray(eps->V[0],&pV);
    176:   VecDestroy(&x);
    177:   VecDestroy(&y);
    178:   PetscFree(evals);
    179:   return(0);
    180: }

    184: PetscErrorCode EPSReset_FEAST(EPS eps)
    185: {
    187:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;

    190:   PetscFree(ctx->work1);
    191:   PetscFree(ctx->work2);
    192:   PetscFree(ctx->Aq);
    193:   PetscFree(ctx->Bq);
    194:   EPSReset_Default(eps);
    195:   return(0);
    196: }

    200: PetscErrorCode EPSDestroy_FEAST(EPS eps)
    201: {

    205:   PetscFree(eps->data);
    206:   PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTSetNumPoints_C",NULL);
    207:   PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTGetNumPoints_C",NULL);
    208:   return(0);
    209: }

    213: PetscErrorCode EPSSetFromOptions_FEAST(EPS eps)
    214: {
    216:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
    217:   PetscInt       n;
    218:   PetscBool      flg;

    221:   PetscOptionsHead("EPS FEAST Options");

    223:   n = ctx->npoints;
    224:   PetscOptionsInt("-eps_feast_num_points","Number of contour integration points","EPSFEASTSetNumPoints",n,&n,&flg);
    225:   if (flg) {
    226:     EPSFEASTSetNumPoints(eps,n);
    227:   }

    229:   PetscOptionsTail();
    230:   return(0);
    231: }

    235: PetscErrorCode EPSView_FEAST(EPS eps,PetscViewer viewer)
    236: {
    238:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
    239:   PetscBool      isascii;

    242:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);
    243:   if (isascii) {
    244:     PetscViewerASCIIPrintf(viewer,"  FEAST: number of contour integration points=%d\n",ctx->npoints);
    245:   }
    246:   return(0);
    247: }

    251: static PetscErrorCode EPSFEASTSetNumPoints_FEAST(EPS eps,PetscInt npoints)
    252: {
    254:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;

    257:   if (npoints == PETSC_DEFAULT) ctx->npoints = 8;
    258:   else {
    259:     PetscBLASIntCast(npoints,&ctx->npoints);
    260:   }
    261:   return(0);
    262: }

    266: /*@
    267:    EPSFEASTSetNumPoints - Sets the number of contour integration points for
    268:    the FEAST package.

    270:    Collective on EPS

    272:    Input Parameters:
    273: +  eps     - the eigenproblem solver context
    274: -  npoints - number of contour integration points

    276:    Options Database Key:
    277: .  -eps_feast_num_points - Sets the number of points

    279:    Level: advanced

    281: .seealso: EPSFEASTGetNumPoints()
    282: @*/
    283: PetscErrorCode EPSFEASTSetNumPoints(EPS eps,PetscInt npoints)
    284: {

    290:   PetscTryMethod(eps,"EPSFEASTSetNumPoints_C",(EPS,PetscInt),(eps,npoints));
    291:   return(0);
    292: }

    296: static PetscErrorCode EPSFEASTGetNumPoints_FEAST(EPS eps,PetscInt *npoints)
    297: {
    298:   EPS_FEAST *ctx = (EPS_FEAST*)eps->data;

    301:   if (npoints) *npoints = ctx->npoints;
    302:   return(0);
    303: }

    307: /*@
    308:    EPSFEASTGetNumPoints - Gets the number of contour integration points for
    309:    the FEAST package.

    311:    Collective on EPS

    313:    Input Parameter:
    314: .  eps     - the eigenproblem solver context

    316:    Output Parameter:
    317: -  npoints - number of contour integration points

    319:    Level: advanced

    321: .seealso: EPSFEASTSetNumPoints()
    322: @*/
    323: PetscErrorCode EPSFEASTGetNumPoints(EPS eps,PetscInt *npoints)
    324: {

    329:   PetscTryMethod(eps,"EPSFEASTSetNumPoints_C",(EPS,PetscInt*),(eps,npoints));
    330:   return(0);
    331: }

    335: PETSC_EXTERN PetscErrorCode EPSCreate_FEAST(EPS eps)
    336: {

    340:   PetscNewLog(eps,EPS_FEAST,&eps->data);
    341:   eps->ops->setup                = EPSSetUp_FEAST;
    342:   eps->ops->setfromoptions       = EPSSetFromOptions_FEAST;
    343:   eps->ops->destroy              = EPSDestroy_FEAST;
    344:   eps->ops->reset                = EPSReset_FEAST;
    345:   eps->ops->view                 = EPSView_FEAST;
    346:   eps->ops->computevectors       = EPSComputeVectors_Default;
    347:   PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTSetNumPoints_C",EPSFEASTSetNumPoints_FEAST);
    348:   PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTGetNumPoints_C",EPSFEASTGetNumPoints_FEAST);
    349:   return(0);
    350: }