Actual source code: arpack.c

slepc-3.7.0 2016-05-16
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  1: /*
  2:    This file implements a wrapper to the ARPACK package

  4:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
  5:    SLEPc - Scalable Library for Eigenvalue Problem Computations
  6:    Copyright (c) 2002-2016, 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>
 25: #include <../src/eps/impls/external/arpack/arpackp.h>

 27: PetscErrorCode EPSSolve_ARPACK(EPS);

 31: PetscErrorCode EPSSetUp_ARPACK(EPS eps)
 32: {
 34:   PetscInt       ncv;
 35:   PetscBool      flg,istrivial;
 36:   EPS_ARPACK     *ar = (EPS_ARPACK*)eps->data;

 39:   if (eps->ncv) {
 40:     if (eps->ncv<eps->nev+2) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The value of ncv must be at least nev+2");
 41:   } else eps->ncv = PetscMin(PetscMax(20,2*eps->nev+1),eps->n); /* set default value of ncv */
 42:   if (eps->mpd) { PetscInfo(eps,"Warning: parameter mpd ignored\n"); }
 43:   if (!eps->max_it) eps->max_it = PetscMax(300,(PetscInt)(2*eps->n/eps->ncv));
 44:   if (!eps->which) eps->which = EPS_LARGEST_MAGNITUDE;

 46:   ncv = eps->ncv;
 47: #if defined(PETSC_USE_COMPLEX)
 48:   PetscFree(ar->rwork);
 49:   PetscMalloc1(ncv,&ar->rwork);
 50:   PetscLogObjectMemory((PetscObject)eps,ncv*sizeof(PetscReal));
 51:   PetscBLASIntCast(3*ncv*ncv+5*ncv,&ar->lworkl);
 52:   PetscFree(ar->workev);
 53:   PetscMalloc1(3*ncv,&ar->workev);
 54:   PetscLogObjectMemory((PetscObject)eps,3*ncv*sizeof(PetscScalar));
 55: #else
 56:   if (eps->ishermitian) {
 57:     PetscBLASIntCast(ncv*(ncv+8),&ar->lworkl);
 58:   } else {
 59:     PetscBLASIntCast(3*ncv*ncv+6*ncv,&ar->lworkl);
 60:     PetscFree(ar->workev);
 61:     PetscMalloc1(3*ncv,&ar->workev);
 62:     PetscLogObjectMemory((PetscObject)eps,3*ncv*sizeof(PetscScalar));
 63:   }
 64: #endif
 65:   PetscFree(ar->workl);
 66:   PetscMalloc1(ar->lworkl,&ar->workl);
 67:   PetscLogObjectMemory((PetscObject)eps,ar->lworkl*sizeof(PetscScalar));
 68:   PetscFree(ar->select);
 69:   PetscMalloc1(ncv,&ar->select);
 70:   PetscLogObjectMemory((PetscObject)eps,ncv*sizeof(PetscBool));
 71:   PetscFree(ar->workd);
 72:   PetscMalloc1(3*eps->nloc,&ar->workd);
 73:   PetscLogObjectMemory((PetscObject)eps,3*eps->nloc*sizeof(PetscScalar));

 75:   if (eps->extraction) { PetscInfo(eps,"Warning: extraction type ignored\n"); }

 77:   if (eps->balance!=EPS_BALANCE_NONE) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Balancing not supported in the Arpack interface");
 78:   if (eps->arbitrary) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Arbitrary selection of eigenpairs not supported in this solver");
 79:   if (eps->stopping!=EPSStoppingBasic) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"External packages do not support user-defined stopping test");

 81:   EPSAllocateSolution(eps,0);
 82:   EPS_SetInnerProduct(eps);
 83:   EPSSetWorkVecs(eps,2);

 85:   PetscObjectTypeCompare((PetscObject)eps->V,BVVECS,&flg);
 86:   if (flg) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver requires a BV with contiguous storage");
 87:   RGIsTrivial(eps->rg,&istrivial);
 88:   if (!istrivial) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support region filtering");

 90:   /* dispatch solve method */
 91:   eps->ops->solve = EPSSolve_ARPACK;
 92:   return(0);
 93: }

 97: PetscErrorCode EPSSolve_ARPACK(EPS eps)
 98: {
100:   EPS_ARPACK     *ar = (EPS_ARPACK*)eps->data;
101:   char           bmat[1],howmny[] = "A";
102:   const char     *which;
103:   PetscBLASInt   n,iparam[11],ipntr[14],ido,info,nev,ncv;
104: #if !defined(PETSC_HAVE_MPIUNI)
105:   PetscBLASInt   fcomm;
106: #endif
107:   PetscScalar    sigmar,*pV,*resid;
108:   Vec            v0,x,y,w = eps->work[0];
109:   Mat            A;
110:   PetscBool      isSinv,isShift,rvec;
111: #if !defined(PETSC_USE_COMPLEX)
112:   PetscScalar    sigmai = 0.0;
113: #endif

116:   PetscBLASIntCast(eps->nev,&nev);
117:   PetscBLASIntCast(eps->ncv,&ncv);
118: #if !defined(PETSC_HAVE_MPIUNI)
119:   PetscBLASIntCast(MPI_Comm_c2f(PetscObjectComm((PetscObject)eps)),&fcomm);
120: #endif
121:   PetscBLASIntCast(eps->nloc,&n);
122:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)eps),1,eps->nloc,PETSC_DECIDE,NULL,&x);
123:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)eps),1,eps->nloc,PETSC_DECIDE,NULL,&y);
124:   EPSGetStartVector(eps,0,NULL);
125:   BVSetActiveColumns(eps->V,0,0);  /* just for deflation space */
126:   BVGetColumn(eps->V,0,&v0);
127:   VecCopy(v0,eps->work[1]);
128:   VecGetArray(v0,&pV);
129:   VecGetArray(eps->work[1],&resid);

131:   ido  = 0;            /* first call to reverse communication interface */
132:   info = 1;            /* indicates a initial vector is provided */
133:   iparam[0] = 1;       /* use exact shifts */
134:   PetscBLASIntCast(eps->max_it,&iparam[2]);  /* max Arnoldi iterations */
135:   iparam[3] = 1;       /* blocksize */
136:   iparam[4] = 0;       /* number of converged Ritz values */

138:   /*
139:      Computational modes ([]=not supported):
140:             symmetric    non-symmetric    complex
141:         1     1  'I'        1  'I'         1  'I'
142:         2     3  'I'        3  'I'         3  'I'
143:         3     2  'G'        2  'G'         2  'G'
144:         4     3  'G'        3  'G'         3  'G'
145:         5   [ 4  'G' ]    [ 3  'G' ]
146:         6   [ 5  'G' ]    [ 4  'G' ]
147:    */
148:   PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&isSinv);
149:   PetscObjectTypeCompare((PetscObject)eps->st,STSHIFT,&isShift);
150:   STGetShift(eps->st,&sigmar);
151:   STGetOperators(eps->st,0,&A);

153:   if (isSinv) {
154:     /* shift-and-invert mode */
155:     iparam[6] = 3;
156:     if (eps->ispositive) bmat[0] = 'G';
157:     else bmat[0] = 'I';
158:   } else if (isShift && eps->ispositive) {
159:     /* generalized shift mode with B positive definite */
160:     iparam[6] = 2;
161:     bmat[0] = 'G';
162:   } else {
163:     /* regular mode */
164:     if (eps->ishermitian && eps->isgeneralized)
165:       SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Spectral transformation not supported by ARPACK hermitian solver");
166:     iparam[6] = 1;
167:     bmat[0] = 'I';
168:   }

170: #if !defined(PETSC_USE_COMPLEX)
171:     if (eps->ishermitian) {
172:       switch (eps->which) {
173:         case EPS_TARGET_MAGNITUDE:
174:         case EPS_LARGEST_MAGNITUDE:  which = "LM"; break;
175:         case EPS_SMALLEST_MAGNITUDE: which = "SM"; break;
176:         case EPS_TARGET_REAL:
177:         case EPS_LARGEST_REAL:       which = "LA"; break;
178:         case EPS_SMALLEST_REAL:      which = "SA"; break;
179:         default: SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"Wrong value of eps->which");
180:       }
181:     } else {
182: #endif
183:       switch (eps->which) {
184:         case EPS_TARGET_MAGNITUDE:
185:         case EPS_LARGEST_MAGNITUDE:  which = "LM"; break;
186:         case EPS_SMALLEST_MAGNITUDE: which = "SM"; break;
187:         case EPS_TARGET_REAL:
188:         case EPS_LARGEST_REAL:       which = "LR"; break;
189:         case EPS_SMALLEST_REAL:      which = "SR"; break;
190:         case EPS_TARGET_IMAGINARY:
191:         case EPS_LARGEST_IMAGINARY:  which = "LI"; break;
192:         case EPS_SMALLEST_IMAGINARY: which = "SI"; break;
193:         default: SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"Wrong value of eps->which");
194:       }
195: #if !defined(PETSC_USE_COMPLEX)
196:     }
197: #endif

199:   do {

201: #if !defined(PETSC_USE_COMPLEX)
202:     if (eps->ishermitian) {
203:       PetscStackCall("ARPACKsaupd",ARPACKsaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&n,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
204:     } else {
205:       PetscStackCall("ARPACKnaupd",ARPACKnaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&n,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
206:     }
207: #else
208:     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));
209: #endif

211:     if (ido == -1 || ido == 1 || ido == 2) {
212:       if (ido == 1 && iparam[6] == 3 && bmat[0] == 'G') {
213:         /* special case for shift-and-invert with B semi-positive definite*/
214:         VecPlaceArray(x,&ar->workd[ipntr[2]-1]);
215:       } else {
216:         VecPlaceArray(x,&ar->workd[ipntr[0]-1]);
217:       }
218:       VecPlaceArray(y,&ar->workd[ipntr[1]-1]);

220:       if (ido == -1) {
221:         /* Y = OP * X for for the initialization phase to
222:            force the starting vector into the range of OP */
223:         STApply(eps->st,x,y);
224:       } else if (ido == 2) {
225:         /* Y = B * X */
226:         BVApplyMatrix(eps->V,x,y);
227:       } else { /* ido == 1 */
228:         if (iparam[6] == 3 && bmat[0] == 'G') {
229:           /* Y = OP * X for shift-and-invert with B semi-positive definite */
230:           STMatSolve(eps->st,x,y);
231:         } else if (iparam[6] == 2) {
232:           /* X=A*X Y=B^-1*X for shift with B positive definite */
233:           MatMult(A,x,y);
234:           if (sigmar != 0.0) {
235:             BVApplyMatrix(eps->V,x,w);
236:             VecAXPY(y,sigmar,w);
237:           }
238:           VecCopy(y,x);
239:           STMatSolve(eps->st,x,y);
240:         } else {
241:           /* Y = OP * X */
242:           STApply(eps->st,x,y);
243:         }
244:         BVOrthogonalizeVec(eps->V,y,NULL,NULL,NULL);
245:       }

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

251:   } while (ido != 99);

253:   eps->nconv = iparam[4];
254:   eps->its = iparam[2];

256:   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");
257:   else if (info!=0 && info!=1) SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by ARPACK subroutine xxAUPD (%d)",info);

259:   rvec = PETSC_TRUE;

261:   if (eps->nconv > 0) {
262: #if !defined(PETSC_USE_COMPLEX)
263:     if (eps->ishermitian) {
264:       EPSMonitor(eps,iparam[2],iparam[4],&ar->workl[ipntr[5]-1],eps->eigi,&ar->workl[ipntr[6]-1],eps->ncv);
265:       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));
266:     } else {
267:       EPSMonitor(eps,iparam[2],iparam[4],&ar->workl[ipntr[5]-1],&ar->workl[ipntr[6]-1],&ar->workl[ipntr[7]-1],eps->ncv);
268:       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));
269:     }
270: #else
271:     EPSMonitor(eps,eps->its,iparam[4],&ar->workl[ipntr[5]-1],eps->eigi,(PetscReal*)&ar->workl[ipntr[7]-1],eps->ncv);
272:     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));
273: #endif
274:     if (info!=0) SETERRQ1(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by ARPACK subroutine xxEUPD (%d)",info);
275:   }

277:   VecRestoreArray(v0,&pV);
278:   BVRestoreColumn(eps->V,0,&v0);
279:   VecRestoreArray(eps->work[1],&resid);
280:   if (eps->nconv >= eps->nev) eps->reason = EPS_CONVERGED_TOL;
281:   else eps->reason = EPS_DIVERGED_ITS;

283:   if (eps->ishermitian) {
284:     PetscMemcpy(eps->errest,&ar->workl[ipntr[8]-1],eps->nconv);
285:   } else {
286:     PetscMemcpy(eps->errest,&ar->workl[ipntr[10]-1],eps->nconv);
287:   }

289:   VecDestroy(&x);
290:   VecDestroy(&y);
291:   return(0);
292: }

296: PetscErrorCode EPSBackTransform_ARPACK(EPS eps)
297: {
299:   PetscBool      isSinv;

302:   PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&isSinv);
303:   if (!isSinv) {
304:     EPSBackTransform_Default(eps);
305:   }
306:   return(0);
307: }

311: PetscErrorCode EPSReset_ARPACK(EPS eps)
312: {
314:   EPS_ARPACK     *ar = (EPS_ARPACK*)eps->data;

317:   PetscFree(ar->workev);
318:   PetscFree(ar->workl);
319:   PetscFree(ar->select);
320:   PetscFree(ar->workd);
321: #if defined(PETSC_USE_COMPLEX)
322:   PetscFree(ar->rwork);
323: #endif
324:   return(0);
325: }

329: PetscErrorCode EPSDestroy_ARPACK(EPS eps)
330: {

334:   PetscFree(eps->data);
335:   return(0);
336: }

340: PETSC_EXTERN PetscErrorCode EPSCreate_ARPACK(EPS eps)
341: {
342:   EPS_ARPACK     *ctx;

346:   PetscNewLog(eps,&ctx);
347:   eps->data = (void*)ctx;

349:   eps->ops->setup                = EPSSetUp_ARPACK;
350:   eps->ops->destroy              = EPSDestroy_ARPACK;
351:   eps->ops->reset                = EPSReset_ARPACK;
352:   eps->ops->backtransform        = EPSBackTransform_ARPACK;
353:   return(0);
354: }