Actual source code: arpack.c

slepc-3.14.1 2020-12-08
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  1: /*
  2:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
  3:    SLEPc - Scalable Library for Eigenvalue Problem Computations
  4:    Copyright (c) 2002-2020, 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 ARPACK package
 12: */

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

 17: PetscErrorCode EPSSetUp_ARPACK(EPS eps)
 18: {
 20:   PetscInt       ncv;
 21:   EPS_ARPACK     *ar = (EPS_ARPACK*)eps->data;

 24:   EPSCheckDefinite(eps);
 25:   if (eps->ncv!=PETSC_DEFAULT) {
 26:     if (eps->ncv<eps->nev+2) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The value of ncv must be at least nev+2");
 27:   } else eps->ncv = PetscMin(PetscMax(20,2*eps->nev+1),eps->n); /* set default value of ncv */
 28:   if (eps->mpd!=PETSC_DEFAULT) { PetscInfo(eps,"Warning: parameter mpd ignored\n"); }
 29:   if (eps->max_it==PETSC_DEFAULT) eps->max_it = PetscMax(300,(PetscInt)(2*eps->n/eps->ncv));
 30:   if (!eps->which) { EPSSetWhichEigenpairs_Default(eps); }
 31:   if (eps->which==EPS_ALL) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support computing all eigenvalues");
 32:   if (eps->which==EPS_WHICH_USER) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support user-defined ordering of eigenvalues");
 33:   EPSCheckUnsupported(eps,EPS_FEATURE_BALANCE | EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_CONVERGENCE | EPS_FEATURE_STOPPING | EPS_FEATURE_TWOSIDED);
 34:   EPSCheckIgnored(eps,EPS_FEATURE_EXTRACTION);

 36:   ncv = eps->ncv;
 37: #if defined(PETSC_USE_COMPLEX)
 38:   PetscFree(ar->rwork);
 39:   PetscMalloc1(ncv,&ar->rwork);
 40:   PetscLogObjectMemory((PetscObject)eps,ncv*sizeof(PetscReal));
 41:   ar->lworkl = 3*ncv*ncv+5*ncv;
 42:   PetscFree(ar->workev);
 43:   PetscMalloc1(3*ncv,&ar->workev);
 44:   PetscLogObjectMemory((PetscObject)eps,3*ncv*sizeof(PetscScalar));
 45: #else
 46:   if (eps->ishermitian) {
 47:     ar->lworkl = ncv*(ncv+8);
 48:   } else {
 49:     ar->lworkl = 3*ncv*ncv+6*ncv;
 50:     PetscFree(ar->workev);
 51:     PetscMalloc1(3*ncv,&ar->workev);
 52:     PetscLogObjectMemory((PetscObject)eps,3*ncv*sizeof(PetscScalar));
 53:   }
 54: #endif
 55:   PetscFree(ar->workl);
 56:   PetscMalloc1(ar->lworkl,&ar->workl);
 57:   PetscLogObjectMemory((PetscObject)eps,ar->lworkl*sizeof(PetscScalar));
 58:   PetscFree(ar->select);
 59:   PetscMalloc1(ncv,&ar->select);
 60:   PetscLogObjectMemory((PetscObject)eps,ncv*sizeof(PetscInt));
 61:   PetscFree(ar->workd);
 62:   PetscMalloc1(3*eps->nloc,&ar->workd);
 63:   PetscLogObjectMemory((PetscObject)eps,3*eps->nloc*sizeof(PetscScalar));

 65:   EPSAllocateSolution(eps,0);
 66:   EPS_SetInnerProduct(eps);
 67:   EPSSetWorkVecs(eps,2);
 68:   return(0);
 69: }

 71: PetscErrorCode EPSSolve_ARPACK(EPS eps)
 72: {
 74:   EPS_ARPACK     *ar = (EPS_ARPACK*)eps->data;
 75:   char           bmat[1],howmny[] = "A";
 76:   const char     *which;
 77:   PetscInt       n,iparam[11],ipntr[14],ido,info,nev,ncv,rvec;
 78: #if !defined(PETSC_HAVE_MPIUNI) && !defined(PETSC_HAVE_MSMPI)
 79:   MPI_Fint       fcomm;
 80: #endif
 81:   PetscScalar    sigmar,*pV,*resid;
 82:   Vec            x,y,w = eps->work[0];
 83:   Mat            A;
 84:   PetscBool      isSinv,isShift;
 85: #if !defined(PETSC_USE_COMPLEX)
 86:   PetscScalar    sigmai = 0.0;
 87: #endif

 90:   nev = eps->nev;
 91:   ncv = eps->ncv;
 92: #if !defined(PETSC_HAVE_MPIUNI) && !defined(PETSC_HAVE_MSMPI)
 93:   fcomm = MPI_Comm_c2f(PetscObjectComm((PetscObject)eps));
 94: #endif
 95:   n = eps->nloc;
 96:   EPSGetStartVector(eps,0,NULL);
 97:   BVSetActiveColumns(eps->V,0,0);  /* just for deflation space */
 98:   BVCopyVec(eps->V,0,eps->work[1]);
 99:   BVGetArray(eps->V,&pV);
100:   VecGetArray(eps->work[1],&resid);

102:   ido  = 0;            /* first call to reverse communication interface */
103:   info = 1;            /* indicates an initial vector is provided */
104:   iparam[0] = 1;       /* use exact shifts */
105:   iparam[2] = eps->max_it;  /* max Arnoldi iterations */
106:   iparam[3] = 1;       /* blocksize */
107:   iparam[4] = 0;       /* number of converged Ritz values */

109:   /*
110:      Computational modes ([]=not supported):
111:             symmetric    non-symmetric    complex
112:         1     1  'I'        1  'I'         1  'I'
113:         2     3  'I'        3  'I'         3  'I'
114:         3     2  'G'        2  'G'         2  'G'
115:         4     3  'G'        3  'G'         3  'G'
116:         5   [ 4  'G' ]    [ 3  'G' ]
117:         6   [ 5  'G' ]    [ 4  'G' ]
118:    */
119:   PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&isSinv);
120:   PetscObjectTypeCompare((PetscObject)eps->st,STSHIFT,&isShift);
121:   STGetShift(eps->st,&sigmar);
122:   STGetMatrix(eps->st,0,&A);
123:   MatCreateVecsEmpty(A,&x,&y);

125:   if (isSinv) {
126:     /* shift-and-invert mode */
127:     iparam[6] = 3;
128:     if (eps->ispositive) bmat[0] = 'G';
129:     else bmat[0] = 'I';
130:   } else if (isShift && eps->ispositive) {
131:     /* generalized shift mode with B positive definite */
132:     iparam[6] = 2;
133:     bmat[0] = 'G';
134:   } else {
135:     /* regular mode */
136:     if (eps->ishermitian && eps->isgeneralized) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Spectral transformation not supported by ARPACK hermitian solver");
137:     iparam[6] = 1;
138:     bmat[0] = 'I';
139:   }

141: #if !defined(PETSC_USE_COMPLEX)
142:   if (eps->ishermitian) {
143:     switch (eps->which) {
144:       case EPS_TARGET_MAGNITUDE:
145:       case EPS_LARGEST_MAGNITUDE:  which = "LM"; break;
146:       case EPS_SMALLEST_MAGNITUDE: which = "SM"; break;
147:       case EPS_TARGET_REAL:
148:       case EPS_LARGEST_REAL:       which = "LA"; break;
149:       case EPS_SMALLEST_REAL:      which = "SA"; break;
150:       default: SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"Wrong value of eps->which");
151:     }
152:   } else {
153: #endif
154:     switch (eps->which) {
155:       case EPS_TARGET_MAGNITUDE:
156:       case EPS_LARGEST_MAGNITUDE:  which = "LM"; break;
157:       case EPS_SMALLEST_MAGNITUDE: which = "SM"; break;
158:       case EPS_TARGET_REAL:
159:       case EPS_LARGEST_REAL:       which = "LR"; break;
160:       case EPS_SMALLEST_REAL:      which = "SR"; break;
161:       case EPS_TARGET_IMAGINARY:
162:       case EPS_LARGEST_IMAGINARY:  which = "LI"; break;
163:       case EPS_SMALLEST_IMAGINARY: which = "SI"; break;
164:       default: SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"Wrong value of eps->which");
165:     }
166: #if !defined(PETSC_USE_COMPLEX)
167:   }
168: #endif

170:   do {

172: #if !defined(PETSC_USE_COMPLEX)
173:     if (eps->ishermitian) {
174:       PetscStackCall("ARPACKsaupd",ARPACKsaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&n,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
175:     } else {
176:       PetscStackCall("ARPACKnaupd",ARPACKnaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&n,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
177:     }
178: #else
179:     PetscStackCall("ARPACKnaupd",ARPACKnaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&n,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,ar->rwork,&info));
180: #endif

182:     if (ido == -1 || ido == 1 || ido == 2) {
183:       if (ido == 1 && iparam[6] == 3 && bmat[0] == 'G') {
184:         /* special case for shift-and-invert with B semi-positive definite*/
185:         VecPlaceArray(x,&ar->workd[ipntr[2]-1]);
186:       } else {
187:         VecPlaceArray(x,&ar->workd[ipntr[0]-1]);
188:       }
189:       VecPlaceArray(y,&ar->workd[ipntr[1]-1]);

191:       if (ido == -1) {
192:         /* Y = OP * X for for the initialization phase to
193:            force the starting vector into the range of OP */
194:         STApply(eps->st,x,y);
195:       } else if (ido == 2) {
196:         /* Y = B * X */
197:         BVApplyMatrix(eps->V,x,y);
198:       } else { /* ido == 1 */
199:         if (iparam[6] == 3 && bmat[0] == 'G') {
200:           /* Y = OP * X for shift-and-invert with B semi-positive definite */
201:           STMatSolve(eps->st,x,y);
202:         } else if (iparam[6] == 2) {
203:           /* X=A*X Y=B^-1*X for shift with B positive definite */
204:           MatMult(A,x,y);
205:           if (sigmar != 0.0) {
206:             BVApplyMatrix(eps->V,x,w);
207:             VecAXPY(y,sigmar,w);
208:           }
209:           VecCopy(y,x);
210:           STMatSolve(eps->st,x,y);
211:         } else {
212:           /* Y = OP * X */
213:           STApply(eps->st,x,y);
214:         }
215:         BVOrthogonalizeVec(eps->V,y,NULL,NULL,NULL);
216:       }

218:       VecResetArray(x);
219:       VecResetArray(y);
220:     } else if (ido != 99) SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Internal error in ARPACK reverse comunication interface (ido=%d)",ido);

222:   } while (ido != 99);

224:   eps->nconv = iparam[4];
225:   eps->its = iparam[2];

227:   if (info==3) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"No shift could be applied in xxAUPD.\nTry increasing the size of NCV relative to NEV");
228:   else if (info!=0 && info!=1) SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by ARPACK subroutine xxAUPD (%d)",(int)info);

230:   rvec = PETSC_TRUE;

232:   if (eps->nconv > 0) {
233: #if !defined(PETSC_USE_COMPLEX)
234:     if (eps->ishermitian) {
235:       PetscStackCall("ARPACKseupd",ARPACKseupd_(&fcomm,&rvec,howmny,ar->select,eps->eigr,pV,&n,&sigmar,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&n,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
236:     } else {
237:       PetscStackCall("ARPACKneupd",ARPACKneupd_(&fcomm,&rvec,howmny,ar->select,eps->eigr,eps->eigi,pV,&n,&sigmar,&sigmai,ar->workev,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&n,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
238:     }
239: #else
240:     PetscStackCall("ARPACKneupd",ARPACKneupd_(&fcomm,&rvec,howmny,ar->select,eps->eigr,pV,&n,&sigmar,ar->workev,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&n,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,ar->rwork,&info));
241: #endif
242:     if (info!=0) SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by ARPACK subroutine xxEUPD (%d)",(int)info);
243:   }

245:   BVRestoreArray(eps->V,&pV);
246:   VecRestoreArray(eps->work[1],&resid);
247:   if (eps->nconv >= eps->nev) eps->reason = EPS_CONVERGED_TOL;
248:   else eps->reason = EPS_DIVERGED_ITS;

250:   VecDestroy(&x);
251:   VecDestroy(&y);
252:   return(0);
253: }

255: PetscErrorCode EPSBackTransform_ARPACK(EPS eps)
256: {
258:   PetscBool      isSinv;

261:   PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&isSinv);
262:   if (!isSinv) {
263:     EPSBackTransform_Default(eps);
264:   }
265:   return(0);
266: }

268: PetscErrorCode EPSReset_ARPACK(EPS eps)
269: {
271:   EPS_ARPACK     *ar = (EPS_ARPACK*)eps->data;

274:   PetscFree(ar->workev);
275:   PetscFree(ar->workl);
276:   PetscFree(ar->select);
277:   PetscFree(ar->workd);
278: #if defined(PETSC_USE_COMPLEX)
279:   PetscFree(ar->rwork);
280: #endif
281:   return(0);
282: }

284: PetscErrorCode EPSDestroy_ARPACK(EPS eps)
285: {

289:   PetscFree(eps->data);
290:   return(0);
291: }

293: SLEPC_EXTERN PetscErrorCode EPSCreate_ARPACK(EPS eps)
294: {
295:   EPS_ARPACK     *ctx;

299:   PetscNewLog(eps,&ctx);
300:   eps->data = (void*)ctx;

302:   eps->ops->solve          = EPSSolve_ARPACK;
303:   eps->ops->setup          = EPSSetUp_ARPACK;
304:   eps->ops->setupsort      = EPSSetUpSort_Basic;
305:   eps->ops->destroy        = EPSDestroy_ARPACK;
306:   eps->ops->reset          = EPSReset_ARPACK;
307:   eps->ops->backtransform  = EPSBackTransform_ARPACK;
308:   return(0);
309: }