Actual source code: arpack.c

  1: /*
  2:        This file implements a wrapper to the ARPACK package

  4:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
  5:    SLEPc - Scalable Library for Eigenvalue Problem Computations
  6:    Copyright (c) 2002-2012, Universitat Politecnica de Valencia, Spain

  8:    This file is part of SLEPc.
  9:       
 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>        /*I "slepceps.h" I*/
 25: #include <slepc-private/stimpl.h>         /*I "slepcst.h" I*/
 26: #include <../src/eps/impls/external/arpack/arpackp.h>

 28: PetscErrorCode EPSSolve_ARPACK(EPS);

 32: PetscErrorCode EPSSetUp_ARPACK(EPS eps)
 33: {
 35:   PetscInt       ncv;
 36:   EPS_ARPACK     *ar = (EPS_ARPACK *)eps->data;

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

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

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

 72:   if (eps->balance!=EPS_BALANCE_NONE) SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_SUP,"Balancing not supported in the Arpack interface");
 73:   if (eps->arbit_func) SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_SUP,"Arbitrary selection of eigenpairs not supported in this solver");

 75:   EPSAllocateSolution(eps);
 76:   EPSDefaultGetWork(eps,2);

 78:   /* dispatch solve method */
 79:   if (eps->leftvecs) SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_SUP,"Left vectors not supported in this solver");
 80:   eps->ops->solve = EPSSolve_ARPACK;
 81:   return(0);
 82: }

 86: PetscErrorCode EPSSolve_ARPACK(EPS eps)
 87: {
 89:   EPS_ARPACK     *ar = (EPS_ARPACK *)eps->data;
 90:   char           bmat[1],howmny[] = "A";
 91:   const char     *which;
 92:   PetscBLASInt   n,iparam[11],ipntr[14],ido,info,nev,ncv;
 93: #if !defined(PETSC_HAVE_MPIUNI)
 94:   PetscBLASInt   fcomm;
 95: #endif
 96:   PetscScalar    sigmar,*pV,*resid;
 97:   Vec            x,y,w = eps->work[0];
 98:   Mat            A;
 99:   PetscBool      isSinv,isShift,rvec;
100: #if !defined(PETSC_USE_COMPLEX)
101:   PetscScalar    sigmai = 0.0;
102: #endif

105:   nev = PetscBLASIntCast(eps->nev);
106:   ncv = PetscBLASIntCast(eps->ncv);
107: #if !defined(PETSC_HAVE_MPIUNI)
108:   fcomm = PetscBLASIntCast(MPI_Comm_c2f(((PetscObject)eps)->comm));
109: #endif
110:   n = PetscBLASIntCast(eps->nloc);
111:   VecCreateMPIWithArray(((PetscObject)eps)->comm,1,eps->nloc,PETSC_DECIDE,PETSC_NULL,&x);
112:   VecCreateMPIWithArray(((PetscObject)eps)->comm,1,eps->nloc,PETSC_DECIDE,PETSC_NULL,&y);
113:   VecGetArray(eps->V[0],&pV);
114:   EPSGetStartVector(eps,0,eps->work[1],PETSC_NULL);
115:   VecGetArray(eps->work[1],&resid);
116: 
117:   ido  = 0;            /* first call to reverse communication interface */
118:   info = 1;            /* indicates a initial vector is provided */
119:   iparam[0] = 1;       /* use exact shifts */
120:   iparam[2] = PetscBLASIntCast(eps->max_it);  /* maximum number of Arnoldi update iterations */
121:   iparam[3] = 1;       /* blocksize */
122:   iparam[4] = 0;       /* number of converged Ritz values */
123: 
124:   /*
125:      Computational modes ([]=not supported):
126:             symmetric    non-symmetric    complex
127:         1     1  'I'        1  'I'         1  'I'
128:         2     3  'I'        3  'I'         3  'I'
129:         3     2  'G'        2  'G'         2  'G'
130:         4     3  'G'        3  'G'         3  'G'
131:         5   [ 4  'G' ]    [ 3  'G' ]
132:         6   [ 5  'G' ]    [ 4  'G' ]
133:    */
134:   PetscObjectTypeCompare((PetscObject)eps->OP,STSINVERT,&isSinv);
135:   PetscObjectTypeCompare((PetscObject)eps->OP,STSHIFT,&isShift);
136:   STGetShift(eps->OP,&sigmar);
137:   STGetOperators(eps->OP,&A,PETSC_NULL);

139:   if (isSinv) {
140:     /* shift-and-invert mode */
141:     iparam[6] = 3;
142:     if (eps->ispositive) bmat[0] = 'G';
143:     else bmat[0] = 'I';
144:   } else if (isShift && eps->ispositive) {
145:     /* generalized shift mode with B positive definite */
146:     iparam[6] = 2;
147:     bmat[0] = 'G';
148:   } else {
149:     /* regular mode */
150:     if (eps->ishermitian && eps->isgeneralized)
151:       SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_SUP,"Spectral transformation not supported by ARPACK hermitian solver");
152:     iparam[6] = 1;
153:     bmat[0] = 'I';
154:   }
155: 
156: #if !defined(PETSC_USE_COMPLEX)
157:     if (eps->ishermitian) {
158:       switch(eps->which) {
159:         case EPS_TARGET_MAGNITUDE:
160:         case EPS_LARGEST_MAGNITUDE:  which = "LM"; break;
161:         case EPS_SMALLEST_MAGNITUDE: which = "SM"; break;
162:         case EPS_TARGET_REAL:
163:         case EPS_LARGEST_REAL:       which = "LA"; break;
164:         case EPS_SMALLEST_REAL:      which = "SA"; break;
165:         default: SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_ARG_WRONG,"Wrong value of eps->which");
166:       }
167:     } else {
168: #endif
169:       switch(eps->which) {
170:         case EPS_TARGET_MAGNITUDE:
171:         case EPS_LARGEST_MAGNITUDE:  which = "LM"; break;
172:         case EPS_SMALLEST_MAGNITUDE: which = "SM"; break;
173:         case EPS_TARGET_REAL:
174:         case EPS_LARGEST_REAL:       which = "LR"; break;
175:         case EPS_SMALLEST_REAL:      which = "SR"; break;
176:         case EPS_TARGET_IMAGINARY:
177:         case EPS_LARGEST_IMAGINARY:  which = "LI"; break;
178:         case EPS_SMALLEST_IMAGINARY: which = "SI"; break;
179:         default: SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_ARG_WRONG,"Wrong value of eps->which");
180:       }
181: #if !defined(PETSC_USE_COMPLEX)
182:     }
183: #endif

185:   do {

187: #if !defined(PETSC_USE_COMPLEX)
188:     if (eps->ishermitian) {
189:       ARsaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,
190:                resid,&ncv,pV,&n,iparam,ipntr,ar->workd,
191:                ar->workl,&ar->lworkl,&info);
192:     }
193:     else {
194:       ARnaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,
195:                resid,&ncv,pV,&n,iparam,ipntr,ar->workd,
196:                ar->workl,&ar->lworkl,&info);
197:     }
198: #else
199:     ARnaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,
200:              resid,&ncv,pV,&n,iparam,ipntr,ar->workd,
201:              ar->workl,&ar->lworkl,ar->rwork,&info);
202: #endif
203: 
204:     if (ido == -1 || ido == 1 || ido == 2) {
205:       if (ido == 1 && iparam[6] == 3 && bmat[0] == 'G') {
206:         /* special case for shift-and-invert with B semi-positive definite*/
207:         VecPlaceArray(x,&ar->workd[ipntr[2]-1]);
208:       } else {
209:         VecPlaceArray(x,&ar->workd[ipntr[0]-1]);
210:       }
211:       VecPlaceArray(y,&ar->workd[ipntr[1]-1]);
212: 
213:       if (ido == -1) {
214:         /* Y = OP * X for for the initialization phase to 
215:            force the starting vector into the range of OP */
216:         STApply(eps->OP,x,y);
217:       } else if (ido == 2) {
218:         /* Y = B * X */
219:         IPApplyMatrix(eps->ip,x,y);
220:       } else { /* ido == 1 */
221:         if (iparam[6] == 3 && bmat[0] == 'G') {
222:           /* Y = OP * X for shift-and-invert with B semi-positive definite */
223:           STAssociatedKSPSolve(eps->OP,x,y);
224:         } else if (iparam[6] == 2) {
225:           /* X=A*X Y=B^-1*X for shift with B positive definite */
226:           MatMult(A,x,y);
227:           if (sigmar != 0.0) {
228:             IPApplyMatrix(eps->ip,x,w);
229:             VecAXPY(y,sigmar,w);
230:           }
231:           VecCopy(y,x);
232:           STAssociatedKSPSolve(eps->OP,x,y);
233:         } else  {
234:           /* Y = OP * X */
235:           STApply(eps->OP,x,y);
236:         }
237:         IPOrthogonalize(eps->ip,0,PETSC_NULL,eps->nds,PETSC_NULL,eps->defl,y,PETSC_NULL,PETSC_NULL,PETSC_NULL);
238:       }
239: 
240:       VecResetArray(x);
241:       VecResetArray(y);
242:     } else if (ido != 99) SETERRQ1(((PetscObject)eps)->comm,PETSC_ERR_LIB,"Internal error in ARPACK reverse comunication interface (ido=%d)",ido);
243: 
244:   } while (ido != 99);

246:   eps->nconv = iparam[4];
247:   eps->its = iparam[2];
248: 
249:   if (info==3) SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_LIB,"No shift could be applied in xxAUPD.\nTry increasing the size of NCV relative to NEV");
250:   else if (info!=0 && info!=1) SETERRQ1(((PetscObject)eps)->comm,PETSC_ERR_LIB,"Error reported by ARPACK subroutine xxAUPD (%d)",info);

252:   rvec = PETSC_TRUE;

254:   if (eps->nconv > 0) {
255: #if !defined(PETSC_USE_COMPLEX)
256:     if (eps->ishermitian) {
257:       EPSMonitor(eps,iparam[2],iparam[4],&ar->workl[ipntr[5]-1],eps->eigi,&ar->workl[ipntr[6]-1],eps->ncv);
258:       ARseupd_ (&fcomm,&rvec,howmny,ar->select,eps->eigr,
259:                 pV,&n,&sigmar,
260:                 bmat,&n,which,&nev,&eps->tol,
261:                 resid,&ncv,pV,&n,iparam,ipntr,ar->workd,
262:                 ar->workl,&ar->lworkl,&info);
263:     }
264:     else {
265:       EPSMonitor(eps,iparam[2],iparam[4],&ar->workl[ipntr[5]-1],&ar->workl[ipntr[6]-1],&ar->workl[ipntr[7]-1],eps->ncv);
266:       ARneupd_ (&fcomm,&rvec,howmny,ar->select,eps->eigr,eps->eigi,
267:                 pV,&n,&sigmar,&sigmai,ar->workev,
268:                 bmat,&n,which,&nev,&eps->tol,
269:                 resid,&ncv,pV,&n,iparam,ipntr,ar->workd,
270:                 ar->workl,&ar->lworkl,&info);
271:     }
272: #else
273:     EPSMonitor(eps,eps->its,iparam[4],&ar->workl[ipntr[5]-1],eps->eigi,(PetscReal*)&ar->workl[ipntr[7]-1],eps->ncv);
274:     ARneupd_ (&fcomm,&rvec,howmny,ar->select,eps->eigr,
275:               pV,&n,&sigmar,ar->workev,
276:               bmat,&n,which,&nev,&eps->tol,
277:               resid,&ncv,pV,&n,iparam,ipntr,ar->workd,
278:               ar->workl,&ar->lworkl,ar->rwork,&info);
279: #endif
280:     if (info!=0) SETERRQ1(((PetscObject)eps)->comm,PETSC_ERR_LIB,"Error reported by ARPACK subroutine xxEUPD (%d)",info);
281:   }

283:   VecRestoreArray(eps->V[0],&pV);
284:   VecRestoreArray(eps->work[1],&resid);
285:   if (eps->nconv >= eps->nev) eps->reason = EPS_CONVERGED_TOL;
286:   else eps->reason = EPS_DIVERGED_ITS;

288:   if (eps->ishermitian) {
289:     PetscMemcpy(eps->errest,&ar->workl[ipntr[8]-1],eps->nconv);
290:   } else {
291:     PetscMemcpy(eps->errest,&ar->workl[ipntr[10]-1],eps->nconv);
292:   }

294:   VecDestroy(&x);
295:   VecDestroy(&y);
296:   return(0);
297: }

301: PetscErrorCode EPSBackTransform_ARPACK(EPS eps)
302: {
304:   PetscBool      isSinv;

307:   PetscObjectTypeCompare((PetscObject)eps->OP,STSINVERT,&isSinv);
308:   if (!isSinv) {
309:     EPSBackTransform_Default(eps);
310:   }
311:   return(0);
312: }

316: PetscErrorCode EPSReset_ARPACK(EPS eps)
317: {
319:   EPS_ARPACK     *ar = (EPS_ARPACK *)eps->data;

322:   PetscFree(ar->workev);
323:   PetscFree(ar->workl);
324:   PetscFree(ar->select);
325:   PetscFree(ar->workd);
326: #if defined(PETSC_USE_COMPLEX)
327:   PetscFree(ar->rwork);
328: #endif
329:   EPSDefaultFreeWork(eps);
330:   EPSFreeSolution(eps);
331:   return(0);
332: }

336: PetscErrorCode EPSDestroy_ARPACK(EPS eps)
337: {

341:   PetscFree(eps->data);
342:   return(0);
343: }

345: EXTERN_C_BEGIN
348: PetscErrorCode EPSCreate_ARPACK(EPS eps)
349: {

353:   PetscNewLog(eps,EPS_ARPACK,&eps->data);
354:   eps->ops->setup                = EPSSetUp_ARPACK;
355:   eps->ops->destroy              = EPSDestroy_ARPACK;
356:   eps->ops->reset                = EPSReset_ARPACK;
357:   eps->ops->backtransform        = EPSBackTransform_ARPACK;
358:   eps->ops->computevectors       = EPSComputeVectors_Default;
359:   return(0);
360: }
361: EXTERN_C_END