Date: 2022-08-09T09:05:37+00:00

Actual source code: scalapack.c
slepc-3.17.2 2022-08-09
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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 eigensolvers in ScaLAPACK.
     12: */

     14: #include <slepc/private/epsimpl.h>
     15: #include <slepc/private/slepcscalapack.h>

     17: typedef struct {
     18:   Mat As,Bs;        /* converted matrices */
     19: } EPS_ScaLAPACK;

     21: PetscErrorCode EPSSetUp_ScaLAPACK(EPS eps)
     22: {
     23:   EPS_ScaLAPACK  *ctx = (EPS_ScaLAPACK*)eps->data;
     24:   Mat            A,B;
     25:   PetscInt       nmat;
     26:   PetscBool      isshift;
     27:   PetscScalar    shift;

     29:   EPSCheckHermitianDefinite(eps);
     30:   PetscObjectTypeCompare((PetscObject)eps->st,STSHIFT,&isshift);
     32:   eps->ncv = eps->n;
     33:   if (eps->mpd!=PETSC_DEFAULT) PetscInfo(eps,"Warning: parameter mpd ignored\n");
     34:   if (eps->max_it==PETSC_DEFAULT) eps->max_it = 1;
     35:   if (!eps->which) EPSSetWhichEigenpairs_Default(eps);
     37:   EPSCheckUnsupported(eps,EPS_FEATURE_BALANCE | EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_STOPPING);
     38:   EPSCheckIgnored(eps,EPS_FEATURE_EXTRACTION | EPS_FEATURE_CONVERGENCE);
     39:   EPSAllocateSolution(eps,0);

     41:   /* convert matrices */
     42:   MatDestroy(&ctx->As);
     43:   MatDestroy(&ctx->Bs);
     44:   STGetNumMatrices(eps->st,&nmat);
     45:   STGetMatrix(eps->st,0,&A);
     46:   MatConvert(A,MATSCALAPACK,MAT_INITIAL_MATRIX,&ctx->As);
     47:   if (nmat>1) {
     48:     STGetMatrix(eps->st,1,&B);
     49:     MatConvert(B,MATSCALAPACK,MAT_INITIAL_MATRIX,&ctx->Bs);
     50:   }
     51:   STGetShift(eps->st,&shift);
     52:   if (shift != 0.0) {
     53:     if (nmat>1) MatAXPY(ctx->As,-shift,ctx->Bs,SAME_NONZERO_PATTERN);
     54:     else MatShift(ctx->As,-shift);
     55:   }
     56:   PetscFunctionReturn(0);
     57: }

     59: PetscErrorCode EPSSolve_ScaLAPACK(EPS eps)
     60: {
     61:   EPS_ScaLAPACK  *ctx = (EPS_ScaLAPACK*)eps->data;
     62:   Mat            A = ctx->As,B = ctx->Bs,Q,V;
     63:   Mat_ScaLAPACK  *a = (Mat_ScaLAPACK*)A->data,*b,*q;
     64:   PetscReal      rdummy=0.0,abstol=0.0,*gap=NULL,orfac=-1.0,*w = eps->errest;  /* used to store real eigenvalues */
     65:   PetscScalar    *work,minlwork[3];
     66:   PetscBLASInt   i,m,info,idummy=0,lwork=-1,liwork=-1,minliwork,*iwork,*ifail=NULL,*iclustr=NULL,one=1;
     67: #if defined(PETSC_USE_COMPLEX)
     68:   PetscReal      *rwork,minlrwork[3];
     69:   PetscBLASInt   lrwork=-1;
     70: #endif

     72:   MatDuplicate(A,MAT_DO_NOT_COPY_VALUES,&Q);
     73:   PetscFPTrapPush(PETSC_FP_TRAP_OFF);
     74:   q = (Mat_ScaLAPACK*)Q->data;

     76:   if (B) {

     78:     b = (Mat_ScaLAPACK*)B->data;
     79:     PetscMalloc3(a->grid->nprow*a->grid->npcol,&gap,a->N,&ifail,2*a->grid->nprow*a->grid->npcol,&iclustr);
     80: #if !defined(PETSC_USE_COMPLEX)
     81:     /* allocate workspace */
     82:     PetscStackCallBLAS("SCALAPACKsygvx",SCALAPACKsygvx_(&one,"V","A","L",&a->N,a->loc,&one,&one,a->desc,b->loc,&one,&one,b->desc,&rdummy,&rdummy,&idummy,&idummy,&abstol,&m,&idummy,w,&orfac,q->loc,&one,&one,q->desc,minlwork,&lwork,&minliwork,&liwork,ifail,iclustr,gap,&info));
     84:     PetscBLASIntCast((PetscInt)minlwork[0],&lwork);
     85:     liwork = minliwork;
     86:     /* call computational routine */
     87:     PetscMalloc2(lwork,&work,liwork,&iwork);
     88:     PetscStackCallBLAS("SCALAPACKsygvx",SCALAPACKsygvx_(&one,"V","A","L",&a->N,a->loc,&one,&one,a->desc,b->loc,&one,&one,b->desc,&rdummy,&rdummy,&idummy,&idummy,&abstol,&m,&idummy,w,&orfac,q->loc,&one,&one,q->desc,work,&lwork,iwork,&liwork,ifail,iclustr,gap,&info));
     90:     PetscFree2(work,iwork);
     91: #else
     92:     /* allocate workspace */
     93:     PetscStackCallBLAS("SCALAPACKsygvx",SCALAPACKsygvx_(&one,"V","A","L",&a->N,a->loc,&one,&one,a->desc,b->loc,&one,&one,b->desc,&rdummy,&rdummy,&idummy,&idummy,&abstol,&m,&idummy,w,&orfac,q->loc,&one,&one,q->desc,minlwork,&lwork,minlrwork,&lrwork,&minliwork,&liwork,ifail,iclustr,gap,&info));
     95:     PetscBLASIntCast((PetscInt)PetscRealPart(minlwork[0]),&lwork);
     96:     PetscBLASIntCast((PetscInt)minlrwork[0],&lrwork);
     97:     lrwork += a->N*a->N;
     98:     liwork = minliwork;
     99:     /* call computational routine */
    100:     PetscMalloc3(lwork,&work,lrwork,&rwork,liwork,&iwork);
    101:     PetscStackCallBLAS("SCALAPACKsygvx",SCALAPACKsygvx_(&one,"V","A","L",&a->N,a->loc,&one,&one,a->desc,b->loc,&one,&one,b->desc,&rdummy,&rdummy,&idummy,&idummy,&abstol,&m,&idummy,w,&orfac,q->loc,&one,&one,q->desc,work,&lwork,rwork,&lrwork,iwork,&liwork,ifail,iclustr,gap,&info));
    103:     PetscFree3(work,rwork,iwork);
    104: #endif
    105:     PetscFree3(gap,ifail,iclustr);

    107:   } else {

    109: #if !defined(PETSC_USE_COMPLEX)
    110:     /* allocate workspace */
    111:     PetscStackCallBLAS("SCALAPACKsyev",SCALAPACKsyev_("V","L",&a->N,a->loc,&one,&one,a->desc,w,q->loc,&one,&one,q->desc,minlwork,&lwork,&info));
    113:     PetscBLASIntCast((PetscInt)minlwork[0],&lwork);
    114:     PetscMalloc1(lwork,&work);
    115:     /* call computational routine */
    116:     PetscStackCallBLAS("SCALAPACKsyev",SCALAPACKsyev_("V","L",&a->N,a->loc,&one,&one,a->desc,w,q->loc,&one,&one,q->desc,work,&lwork,&info));
    118:     PetscFree(work);
    119: #else
    120:     /* allocate workspace */
    121:     PetscStackCallBLAS("SCALAPACKsyev",SCALAPACKsyev_("V","L",&a->N,a->loc,&one,&one,a->desc,w,q->loc,&one,&one,q->desc,minlwork,&lwork,minlrwork,&lrwork,&info));
    123:     PetscBLASIntCast((PetscInt)PetscRealPart(minlwork[0]),&lwork);
    124:     lrwork = 4*a->N;  /* PetscBLASIntCast((PetscInt)minlrwork[0],&lrwork); */
    125:     PetscMalloc2(lwork,&work,lrwork,&rwork);
    126:     /* call computational routine */
    127:     PetscStackCallBLAS("SCALAPACKsyev",SCALAPACKsyev_("V","L",&a->N,a->loc,&one,&one,a->desc,w,q->loc,&one,&one,q->desc,work,&lwork,rwork,&lrwork,&info));
    129:     PetscFree2(work,rwork);
    130: #endif

    132:   }
    133:   PetscFPTrapPop();

    135:   for (i=0;i<eps->ncv;i++) {
    136:     eps->eigr[i]   = eps->errest[i];
    137:     eps->errest[i] = PETSC_MACHINE_EPSILON;
    138:   }

    140:   BVGetMat(eps->V,&V);
    141:   MatConvert(Q,MATDENSE,MAT_REUSE_MATRIX,&V);
    142:   BVRestoreMat(eps->V,&V);
    143:   MatDestroy(&Q);

    145:   eps->nconv  = eps->ncv;
    146:   eps->its    = 1;
    147:   eps->reason = EPS_CONVERGED_TOL;
    148:   PetscFunctionReturn(0);
    149: }

    151: PetscErrorCode EPSDestroy_ScaLAPACK(EPS eps)
    152: {
    153:   PetscFree(eps->data);
    154:   PetscFunctionReturn(0);
    155: }

    157: PetscErrorCode EPSReset_ScaLAPACK(EPS eps)
    158: {
    159:   EPS_ScaLAPACK  *ctx = (EPS_ScaLAPACK*)eps->data;

    161:   MatDestroy(&ctx->As);
    162:   MatDestroy(&ctx->Bs);
    163:   PetscFunctionReturn(0);
    164: }

    166: SLEPC_EXTERN PetscErrorCode EPSCreate_ScaLAPACK(EPS eps)
    167: {
    168:   EPS_ScaLAPACK  *ctx;

    170:   PetscNewLog(eps,&ctx);
    171:   eps->data = (void*)ctx;

    173:   eps->categ = EPS_CATEGORY_OTHER;

    175:   eps->ops->solve          = EPSSolve_ScaLAPACK;
    176:   eps->ops->setup          = EPSSetUp_ScaLAPACK;
    177:   eps->ops->setupsort      = EPSSetUpSort_Basic;
    178:   eps->ops->destroy        = EPSDestroy_ScaLAPACK;
    179:   eps->ops->reset          = EPSReset_ScaLAPACK;
    180:   eps->ops->backtransform  = EPSBackTransform_Default;
    181:   eps->ops->setdefaultst   = EPSSetDefaultST_NoFactor;
    182:   PetscFunctionReturn(0);
    183: }