Actual source code: scalapack.c

slepc-3.18.3 2023-03-24
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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:   return 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:     PetscCallBLAS("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:     PetscCallBLAS("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:     PetscCallBLAS("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:     PetscCallBLAS("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:     PetscCallBLAS("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:     PetscCallBLAS("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:     PetscCallBLAS("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:     PetscCallBLAS("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:   return 0;
149: }

151: PetscErrorCode EPSDestroy_ScaLAPACK(EPS eps)
152: {
153:   PetscFree(eps->data);
154:   return 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:   return 0;
164: }

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

170:   PetscNew(&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:   return 0;
183: }