Date: 2024-12-02T08:56:51+00:00

Actual source code: feast.c
slepc-3.22.2 2024-12-02
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      1: /*
      2:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
      3:    SLEPc - Scalable Library for Eigenvalue Problem Computations
      4:    Copyright (c) 2002-, 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 FEAST solver in MKL
     12: */

     14: #include <petscsys.h>
     15: #if defined(PETSC_HAVE_MKL_INTEL_ILP64)
     16: #define MKL_ILP64
     17: #endif
     18: #include <mkl.h>
     19: #include <slepc/private/epsimpl.h>

     21: #if defined(PETSC_USE_COMPLEX)
     22: #  if defined(PETSC_USE_REAL_SINGLE)
     23: #    define FEAST_RCI cfeast_hrci
     24: #    define SCALAR_CAST (MKL_Complex8*)
     25: #  else
     26: #    define FEAST_RCI zfeast_hrci
     27: #    define SCALAR_CAST (MKL_Complex16*)
     28: #  endif
     29: #else
     30: #  if defined(PETSC_USE_REAL_SINGLE)
     31: #    define FEAST_RCI sfeast_srci
     32: #  else
     33: #    define FEAST_RCI dfeast_srci
     34: #  endif
     35: #  define SCALAR_CAST
     36: #endif

     38: typedef struct {
     39:   PetscInt      npoints;          /* number of contour points */
     40:   PetscScalar   *work1,*Aq,*Bq;   /* workspace */
     41: #if defined(PETSC_USE_REAL_SINGLE)
     42:   MKL_Complex8  *work2;
     43: #else
     44:   MKL_Complex16 *work2;
     45: #endif
     46: } EPS_FEAST;

     48: static PetscErrorCode EPSSetUp_FEAST(EPS eps)
     49: {
     50:   PetscInt       ncv;
     51:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
     52:   PetscMPIInt    size;

     54:   PetscFunctionBegin;
     55:   PetscCallMPI(MPI_Comm_size(PetscObjectComm((PetscObject)eps),&size));
     56:   PetscCheck(size==1,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"The FEAST interface is supported for sequential runs only");
     57:   EPSCheckHermitianDefinite(eps);
     58:   EPSCheckSinvertCayley(eps);
     59:   if (eps->ncv!=PETSC_DETERMINE) {
     60:     PetscCheck(eps->ncv>=eps->nev+2,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The value of ncv must be at least nev+2");
     61:   } else eps->ncv = PetscMin(PetscMax(20,2*eps->nev+1),eps->n); /* set default value of ncv */
     62:   if (eps->mpd!=PETSC_DETERMINE) PetscCall(PetscInfo(eps,"Warning: parameter mpd ignored\n"));
     63:   if (eps->max_it==PETSC_DETERMINE) eps->max_it = 20;
     64:   if (!eps->which) eps->which = EPS_ALL;
     65:   PetscCheck(eps->which==EPS_ALL && eps->inta!=eps->intb,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver must be used with a computational interval");
     66:   EPSCheckUnsupported(eps,EPS_FEATURE_BALANCE | EPS_FEATURE_ARBITRARY | EPS_FEATURE_CONVERGENCE | EPS_FEATURE_STOPPING | EPS_FEATURE_TWOSIDED);
     67:   EPSCheckIgnored(eps,EPS_FEATURE_EXTRACTION);

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

     71:   ncv = eps->ncv;
     72:   PetscCall(PetscFree4(ctx->work1,ctx->work2,ctx->Aq,ctx->Bq));
     73:   PetscCall(PetscMalloc4(eps->nloc*ncv,&ctx->work1,eps->nloc*ncv,&ctx->work2,ncv*ncv,&ctx->Aq,ncv*ncv,&ctx->Bq));

     75:   PetscCall(EPSAllocateSolution(eps,0));
     76:   PetscCall(EPSSetWorkVecs(eps,2));
     77:   PetscFunctionReturn(PETSC_SUCCESS);
     78: }

     80: static PetscErrorCode EPSSolve_FEAST(EPS eps)
     81: {
     82:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
     83:   MKL_INT        fpm[128],ijob,n,ncv,nconv,loop,info;
     84:   PetscReal      *evals,epsout=0.0;
     85:   PetscInt       i,k,nmat,ld;
     86:   PetscScalar    *pV,*pz,*X=NULL;
     87:   Vec            x,y,w=eps->work[0],z=eps->work[1];
     88:   Mat            A,B;
     89: #if defined(PETSC_USE_REAL_SINGLE)
     90:   MKL_Complex8   Ze;
     91: #else
     92:   MKL_Complex16  Ze;
     93: #endif

     95:   PetscFunctionBegin;
     96: #if !defined(PETSC_HAVE_64BIT_BLAS_INDICES)
     97:   PetscCall(PetscBLASIntCast(eps->ncv,&ncv));
     98:   PetscCall(PetscBLASIntCast(eps->nloc,&n));
     99: #else
    100:   ncv = eps->ncv;
    101:   n   = eps->nloc;
    102: #endif

    104:   /* parameters */
    105:   feastinit(fpm);
    106:   fpm[0] = (eps->numbermonitors>0)? 1: 0;   /* runtime comments */
    107:   fpm[1] = (MKL_INT)ctx->npoints;           /* contour points */
    108: #if !defined(PETSC_USE_REAL_SINGLE)
    109:   fpm[2] = -PetscLog10Real(eps->tol);       /* tolerance for trace */
    110: #endif
    111:   fpm[3] = (MKL_INT)eps->max_it;            /* refinement loops */
    112:   fpm[5] = 1;                               /* second stopping criterion */
    113: #if defined(PETSC_USE_REAL_SINGLE)
    114:   fpm[6] = -PetscLog10Real(eps->tol);       /* tolerance for trace */
    115: #endif

    117:   PetscCall(PetscMalloc1(eps->ncv,&evals));
    118:   PetscCall(BVGetLeadingDimension(eps->V,&ld));
    119:   PetscCall(BVGetArray(eps->V,&pV));
    120:   if (ld==n) X = pV;
    121:   else PetscCall(PetscMalloc1(eps->ncv*n,&X));

    123:   ijob = -1;           /* first call to reverse communication interface */
    124:   PetscCall(STGetNumMatrices(eps->st,&nmat));
    125:   PetscCall(STGetMatrix(eps->st,0,&A));
    126:   if (nmat>1) PetscCall(STGetMatrix(eps->st,1,&B));
    127:   else B = NULL;
    128:   PetscCall(MatCreateVecsEmpty(A,&x,&y));

    130:   do {

    132:     FEAST_RCI(&ijob,&n,&Ze,SCALAR_CAST ctx->work1,ctx->work2,SCALAR_CAST ctx->Aq,SCALAR_CAST ctx->Bq,fpm,&epsout,&loop,&eps->inta,&eps->intb,&ncv,evals,SCALAR_CAST X,&nconv,eps->errest,&info);

    134:     PetscCheck(ncv==eps->ncv,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"FEAST changed value of ncv to %d",(int)ncv);
    135:     if (ijob == 10) {
    136:       /* set new quadrature point */
    137:       PetscCall(STSetShift(eps->st,Ze.real));
    138:     } else if (ijob == 20) {
    139:       /* use same quadrature point and factorization for transpose solve */
    140:     } else if (ijob == 11 || ijob == 21) {
    141:       /* linear solve (A-sigma*B)\work2, overwrite work2 */
    142:       for (k=0;k<ncv;k++) {
    143:         PetscCall(VecGetArray(z,&pz));
    144: #if defined(PETSC_USE_COMPLEX)
    145:         for (i=0;i<eps->nloc;i++) pz[i] = PetscCMPLX(ctx->work2[eps->nloc*k+i].real,ctx->work2[eps->nloc*k+i].imag);
    146: #else
    147:         for (i=0;i<eps->nloc;i++) pz[i] = ctx->work2[eps->nloc*k+i].real;
    148: #endif
    149:         PetscCall(VecRestoreArray(z,&pz));
    150:         if (ijob == 11) PetscCall(STMatSolve(eps->st,z,w));
    151:         else PetscCall(STMatSolveHermitianTranspose(eps->st,z,w));
    152:         PetscCall(VecGetArray(w,&pz));
    153: #if defined(PETSC_USE_COMPLEX)
    154:         for (i=0;i<eps->nloc;i++) {
    155:           ctx->work2[eps->nloc*k+i].real = PetscRealPart(pz[i]);
    156:           ctx->work2[eps->nloc*k+i].imag = PetscImaginaryPart(pz[i]);
    157:         }
    158: #else
    159:         for (i=0;i<eps->nloc;i++) ctx->work2[eps->nloc*k+i].real = pz[i];
    160: #endif
    161:         PetscCall(VecRestoreArray(w,&pz));
    162:       }
    163:     } else if (ijob == 30 || ijob == 40) {
    164:       /* multiplication A*V or B*V, result in work1 */
    165:       for (k=fpm[23]-1;k<fpm[23]+fpm[24]-1;k++) {
    166:         PetscCall(VecPlaceArray(x,&X[k*eps->nloc]));
    167:         PetscCall(VecPlaceArray(y,&ctx->work1[k*eps->nloc]));
    168:         if (ijob == 30) PetscCall(MatMult(A,x,y));
    169:         else if (nmat>1) PetscCall(MatMult(B,x,y));
    170:         else PetscCall(VecCopy(x,y));
    171:         PetscCall(VecResetArray(x));
    172:         PetscCall(VecResetArray(y));
    173:       }
    174:     } else PetscCheck(ijob==0 || ijob==-2,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Internal error in FEAST reverse communication interface (ijob=%d)",(int)ijob);

    176:   } while (ijob);

    178:   eps->reason = EPS_CONVERGED_TOL;
    179:   eps->its    = loop;
    180:   eps->nconv  = nconv;
    181:   if (info) {
    182:     switch (info) {
    183:       case 1:  /* No eigenvalue has been found in the proposed search interval */
    184:         eps->nconv = 0;
    185:         break;
    186:       case 2:   /* FEAST did not converge "yet" */
    187:         eps->reason = EPS_DIVERGED_ITS;
    188:         break;
    189:       default:
    190:         SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by FEAST (%d)",(int)info);
    191:     }
    192:   }

    194:   for (i=0;i<eps->nconv;i++) eps->eigr[i] = evals[i];
    195:   if (ld!=n) {
    196:     for (i=0;i<eps->nconv;i++) PetscCall(PetscArraycpy(pV+i*ld,X+i*n,n));
    197:     PetscCall(PetscFree(X));
    198:   }
    199:   PetscCall(BVRestoreArray(eps->V,&pV));
    200:   PetscCall(VecDestroy(&x));
    201:   PetscCall(VecDestroy(&y));
    202:   PetscCall(PetscFree(evals));
    203:   PetscFunctionReturn(PETSC_SUCCESS);
    204: }

    206: static PetscErrorCode EPSReset_FEAST(EPS eps)
    207: {
    208:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;

    210:   PetscFunctionBegin;
    211:   PetscCall(PetscFree4(ctx->work1,ctx->work2,ctx->Aq,ctx->Bq));
    212:   PetscFunctionReturn(PETSC_SUCCESS);
    213: }

    215: static PetscErrorCode EPSDestroy_FEAST(EPS eps)
    216: {
    217:   PetscFunctionBegin;
    218:   PetscCall(PetscFree(eps->data));
    219:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTSetNumPoints_C",NULL));
    220:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTGetNumPoints_C",NULL));
    221:   PetscFunctionReturn(PETSC_SUCCESS);
    222: }

    224: static PetscErrorCode EPSSetFromOptions_FEAST(EPS eps,PetscOptionItems *PetscOptionsObject)
    225: {
    226:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
    227:   PetscInt       n;
    228:   PetscBool      flg;

    230:   PetscFunctionBegin;
    231:   PetscOptionsHeadBegin(PetscOptionsObject,"EPS FEAST Options");

    233:     n = ctx->npoints;
    234:     PetscCall(PetscOptionsInt("-eps_feast_num_points","Number of contour integration points","EPSFEASTSetNumPoints",n,&n,&flg));
    235:     if (flg) PetscCall(EPSFEASTSetNumPoints(eps,n));

    237:   PetscOptionsHeadEnd();
    238:   PetscFunctionReturn(PETSC_SUCCESS);
    239: }

    241: static PetscErrorCode EPSView_FEAST(EPS eps,PetscViewer viewer)
    242: {
    243:   EPS_FEAST      *ctx = (EPS_FEAST*)eps->data;
    244:   PetscBool      isascii;

    246:   PetscFunctionBegin;
    247:   PetscCall(PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii));
    248:   if (isascii) PetscCall(PetscViewerASCIIPrintf(viewer,"  number of contour integration points=%" PetscInt_FMT "\n",ctx->npoints));
    249:   PetscFunctionReturn(PETSC_SUCCESS);
    250: }

    252: static PetscErrorCode EPSSetDefaultST_FEAST(EPS eps)
    253: {
    254:   PetscFunctionBegin;
    255:   if (!((PetscObject)eps->st)->type_name) PetscCall(STSetType(eps->st,STSINVERT));
    256:   PetscFunctionReturn(PETSC_SUCCESS);
    257: }

    259: static PetscErrorCode EPSFEASTSetNumPoints_FEAST(EPS eps,PetscInt npoints)
    260: {
    261:   EPS_FEAST *ctx = (EPS_FEAST*)eps->data;

    263:   PetscFunctionBegin;
    264:   if (npoints == PETSC_DEFAULT || npoints == PETSC_DECIDE) ctx->npoints = 8;
    265:   else ctx->npoints = npoints;
    266:   PetscFunctionReturn(PETSC_SUCCESS);
    267: }

    269: /*@
    270:    EPSFEASTSetNumPoints - Sets the number of contour integration points for
    271:    the FEAST package.

    273:    Logically Collective

    275:    Input Parameters:
    276: +  eps     - the eigenproblem solver context
    277: -  npoints - number of contour integration points

    279:    Options Database Key:
    280: .  -eps_feast_num_points - Sets the number of points

    282:    Level: advanced

    284: .seealso: EPSFEASTGetNumPoints()
    285: @*/
    286: PetscErrorCode EPSFEASTSetNumPoints(EPS eps,PetscInt npoints)
    287: {
    288:   PetscFunctionBegin;
    291:   PetscTryMethod(eps,"EPSFEASTSetNumPoints_C",(EPS,PetscInt),(eps,npoints));
    292:   PetscFunctionReturn(PETSC_SUCCESS);
    293: }

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

    299:   PetscFunctionBegin;
    300:   *npoints = ctx->npoints;
    301:   PetscFunctionReturn(PETSC_SUCCESS);
    302: }

    304: /*@
    305:    EPSFEASTGetNumPoints - Gets the number of contour integration points for
    306:    the FEAST package.

    308:    Not Collective

    310:    Input Parameter:
    311: .  eps     - the eigenproblem solver context

    313:    Output Parameter:
    314: .  npoints - number of contour integration points

    316:    Level: advanced

    318: .seealso: EPSFEASTSetNumPoints()
    319: @*/
    320: PetscErrorCode EPSFEASTGetNumPoints(EPS eps,PetscInt *npoints)
    321: {
    322:   PetscFunctionBegin;
    324:   PetscAssertPointer(npoints,2);
    325:   PetscUseMethod(eps,"EPSFEASTGetNumPoints_C",(EPS,PetscInt*),(eps,npoints));
    326:   PetscFunctionReturn(PETSC_SUCCESS);
    327: }

    329: SLEPC_EXTERN PetscErrorCode EPSCreate_FEAST(EPS eps)
    330: {
    331:   EPS_FEAST      *ctx;

    333:   PetscFunctionBegin;
    334:   PetscCall(PetscNew(&ctx));
    335:   eps->data = (void*)ctx;

    337:   eps->categ = EPS_CATEGORY_CONTOUR;

    339:   eps->ops->solve          = EPSSolve_FEAST;
    340:   eps->ops->setup          = EPSSetUp_FEAST;
    341:   eps->ops->setupsort      = EPSSetUpSort_Basic;
    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->setdefaultst   = EPSSetDefaultST_FEAST;

    348:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTSetNumPoints_C",EPSFEASTSetNumPoints_FEAST));
    349:   PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTGetNumPoints_C",EPSFEASTGetNumPoints_FEAST));
    350:   PetscFunctionReturn(PETSC_SUCCESS);
    351: }