Actual source code: arpack.c
slepc-3.23.1 2025-05-01
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 the ARPACK package
12: */
14: #include <slepc/private/epsimpl.h>
15: #include "arpack.h"
17: static PetscErrorCode EPSSetUp_ARPACK(EPS eps)
18: {
19: PetscInt ncv;
20: EPS_ARPACK *ar = (EPS_ARPACK*)eps->data;
22: PetscFunctionBegin;
23: EPSCheckDefinite(eps);
24: EPSCheckNotStructured(eps);
25: if (eps->nev==0) eps->nev = 1;
26: if (eps->ncv!=PETSC_DETERMINE) {
27: PetscCheck(eps->ncv>=eps->nev+2,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The value of ncv must be at least nev+2");
28: } else eps->ncv = PetscMin(PetscMax(20,2*eps->nev+1),eps->n); /* set default value of ncv */
29: if (eps->mpd!=PETSC_DETERMINE) PetscCall(PetscInfo(eps,"Warning: parameter mpd ignored\n"));
30: if (eps->max_it==PETSC_DETERMINE) eps->max_it = PetscMax(300,(PetscInt)(2*eps->n/eps->ncv));
31: if (!eps->which) PetscCall(EPSSetWhichEigenpairs_Default(eps));
32: PetscCheck(eps->which!=EPS_ALL,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support computing all eigenvalues");
33: PetscCheck(eps->which!=EPS_WHICH_USER,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support user-defined ordering of eigenvalues");
34: EPSCheckUnsupported(eps,EPS_FEATURE_BALANCE | EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_CONVERGENCE | EPS_FEATURE_STOPPING | EPS_FEATURE_TWOSIDED);
35: EPSCheckIgnored(eps,EPS_FEATURE_EXTRACTION);
37: ncv = eps->ncv;
38: #if defined(PETSC_USE_COMPLEX)
39: PetscCall(PetscFree(ar->rwork));
40: PetscCall(PetscMalloc1(ncv,&ar->rwork));
41: ar->lworkl = 3*ncv*ncv+5*ncv;
42: PetscCall(PetscFree(ar->workev));
43: PetscCall(PetscMalloc1(3*ncv,&ar->workev));
44: #else
45: if (eps->ishermitian) {
46: ar->lworkl = ncv*(ncv+8);
47: } else {
48: ar->lworkl = 3*ncv*ncv+6*ncv;
49: PetscCall(PetscFree(ar->workev));
50: PetscCall(PetscMalloc1(3*ncv,&ar->workev));
51: }
52: #endif
53: PetscCall(PetscFree(ar->workl));
54: PetscCall(PetscMalloc1(ar->lworkl,&ar->workl));
55: PetscCall(PetscFree(ar->select));
56: PetscCall(PetscMalloc1(ncv,&ar->select));
57: PetscCall(PetscFree(ar->workd));
58: PetscCall(PetscMalloc1(3*eps->nloc,&ar->workd));
60: PetscCall(EPSAllocateSolution(eps,0));
61: PetscCall(EPS_SetInnerProduct(eps));
62: PetscCall(EPSSetWorkVecs(eps,2));
63: PetscFunctionReturn(PETSC_SUCCESS);
64: }
66: static PetscErrorCode EPSSolve_ARPACK(EPS eps)
67: {
68: EPS_ARPACK *ar = (EPS_ARPACK*)eps->data;
69: char bmat[1],howmny[] = "A";
70: const char *which;
71: PetscInt n,ld,iparam[11],ipntr[14],ido,info,nev,ncv,rvec;
72: #if !defined(PETSC_HAVE_MPIUNI) && !defined(PETSC_HAVE_MSMPI)
73: MPI_Fint fcomm;
74: #endif
75: PetscScalar sigmar,*pV,*resid;
76: Vec x,y,w = eps->work[0];
77: Mat A;
78: PetscBool isSinv,isShift;
79: #if !defined(PETSC_USE_COMPLEX)
80: PetscScalar sigmai = 0.0;
81: #endif
83: PetscFunctionBegin;
84: nev = eps->nev;
85: ncv = eps->ncv;
86: #if !defined(PETSC_HAVE_MPIUNI) && !defined(PETSC_HAVE_MSMPI)
87: fcomm = MPI_Comm_c2f(PetscObjectComm((PetscObject)eps));
88: #endif
89: n = eps->nloc;
90: PetscCall(EPSGetStartVector(eps,0,NULL));
91: PetscCall(BVSetActiveColumns(eps->V,0,0)); /* just for deflation space */
92: PetscCall(BVCopyVec(eps->V,0,eps->work[1]));
93: PetscCall(BVGetLeadingDimension(eps->V,&ld));
94: PetscCall(BVGetArray(eps->V,&pV));
95: PetscCall(VecGetArray(eps->work[1],&resid));
97: ido = 0; /* first call to reverse communication interface */
98: info = 1; /* indicates an initial vector is provided */
99: iparam[0] = 1; /* use exact shifts */
100: iparam[2] = eps->max_it; /* max Arnoldi iterations */
101: iparam[3] = 1; /* blocksize */
102: iparam[4] = 0; /* number of converged Ritz values */
104: /*
105: Computational modes ([]=not supported):
106: symmetric non-symmetric complex
107: 1 1 'I' 1 'I' 1 'I'
108: 2 3 'I' 3 'I' 3 'I'
109: 3 2 'G' 2 'G' 2 'G'
110: 4 3 'G' 3 'G' 3 'G'
111: 5 [ 4 'G' ] [ 3 'G' ]
112: 6 [ 5 'G' ] [ 4 'G' ]
113: */
114: PetscCall(PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&isSinv));
115: PetscCall(PetscObjectTypeCompare((PetscObject)eps->st,STSHIFT,&isShift));
116: PetscCall(STGetShift(eps->st,&sigmar));
117: PetscCall(STGetMatrix(eps->st,0,&A));
118: PetscCall(MatCreateVecsEmpty(A,&x,&y));
120: if (isSinv) {
121: /* shift-and-invert mode */
122: iparam[6] = 3;
123: if (eps->ispositive) bmat[0] = 'G';
124: else bmat[0] = 'I';
125: } else if (isShift && eps->ispositive) {
126: /* generalized shift mode with B positive definite */
127: iparam[6] = 2;
128: bmat[0] = 'G';
129: } else {
130: /* regular mode */
131: PetscCheck(!eps->ishermitian || !eps->isgeneralized,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Spectral transformation not supported by ARPACK hermitian solver");
132: iparam[6] = 1;
133: bmat[0] = 'I';
134: }
136: #if !defined(PETSC_USE_COMPLEX)
137: if (eps->ishermitian) {
138: switch (eps->which) {
139: case EPS_TARGET_MAGNITUDE:
140: case EPS_LARGEST_MAGNITUDE: which = "LM"; break;
141: case EPS_SMALLEST_MAGNITUDE: which = "SM"; break;
142: case EPS_TARGET_REAL:
143: case EPS_LARGEST_REAL: which = "LA"; break;
144: case EPS_SMALLEST_REAL: which = "SA"; break;
145: default: SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"Wrong value of eps->which");
146: }
147: } else {
148: #endif
149: switch (eps->which) {
150: case EPS_TARGET_MAGNITUDE:
151: case EPS_LARGEST_MAGNITUDE: which = "LM"; break;
152: case EPS_SMALLEST_MAGNITUDE: which = "SM"; break;
153: case EPS_TARGET_REAL:
154: case EPS_LARGEST_REAL: which = "LR"; break;
155: case EPS_SMALLEST_REAL: which = "SR"; break;
156: case EPS_TARGET_IMAGINARY:
157: case EPS_LARGEST_IMAGINARY: which = "LI"; break;
158: case EPS_SMALLEST_IMAGINARY: which = "SI"; break;
159: default: SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"Wrong value of eps->which");
160: }
161: #if !defined(PETSC_USE_COMPLEX)
162: }
163: #endif
165: do {
167: #if !defined(PETSC_USE_COMPLEX)
168: if (eps->ishermitian) {
169: PetscStackCallExternalVoid("ARPACKsaupd",ARPACKsaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&ld,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
170: } else {
171: PetscStackCallExternalVoid("ARPACKnaupd",ARPACKnaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&ld,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
172: }
173: #else
174: PetscStackCallExternalVoid("ARPACKnaupd",ARPACKnaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&ld,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,ar->rwork,&info));
175: #endif
177: if (ido == -1 || ido == 1 || ido == 2) {
178: if (ido == 1 && iparam[6] == 3 && bmat[0] == 'G') PetscCall(VecPlaceArray(x,&ar->workd[ipntr[2]-1])); /* special case for shift-and-invert with B semi-positive definite*/
179: else PetscCall(VecPlaceArray(x,&ar->workd[ipntr[0]-1]));
180: PetscCall(VecPlaceArray(y,&ar->workd[ipntr[1]-1]));
182: if (ido == -1) {
183: /* Y = OP * X for the initialization phase to
184: force the starting vector into the range of OP */
185: PetscCall(STApply(eps->st,x,y));
186: } else if (ido == 2) {
187: /* Y = B * X */
188: PetscCall(BVApplyMatrix(eps->V,x,y));
189: } else { /* ido == 1 */
190: if (iparam[6] == 3 && bmat[0] == 'G') {
191: /* Y = OP * X for shift-and-invert with B semi-positive definite */
192: PetscCall(STMatSolve(eps->st,x,y));
193: } else if (iparam[6] == 2) {
194: /* X=A*X Y=B^-1*X for shift with B positive definite */
195: PetscCall(MatMult(A,x,y));
196: if (sigmar != 0.0) {
197: PetscCall(BVApplyMatrix(eps->V,x,w));
198: PetscCall(VecAXPY(y,sigmar,w));
199: }
200: PetscCall(VecCopy(y,x));
201: PetscCall(STMatSolve(eps->st,x,y));
202: } else {
203: /* Y = OP * X */
204: PetscCall(STApply(eps->st,x,y));
205: }
206: PetscCall(BVOrthogonalizeVec(eps->V,y,NULL,NULL,NULL));
207: }
209: PetscCall(VecResetArray(x));
210: PetscCall(VecResetArray(y));
211: } else PetscCheck(ido==99,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Internal error in ARPACK reverse communication interface (ido=%" PetscInt_FMT ")",ido);
213: } while (ido != 99);
215: eps->nconv = iparam[4];
216: eps->its = iparam[2];
218: PetscCheck(info!=3,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"No shift could be applied in xxAUPD. Try increasing the size of NCV relative to NEV");
219: PetscCheck(info==0 || info==1,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by ARPACK subroutine xxAUPD (%" PetscInt_FMT ")",info);
221: rvec = PETSC_TRUE;
223: if (eps->nconv > 0) {
224: #if !defined(PETSC_USE_COMPLEX)
225: if (eps->ishermitian) {
226: PetscStackCallExternalVoid("ARPACKseupd",ARPACKseupd_(&fcomm,&rvec,howmny,ar->select,eps->eigr,pV,&ld,&sigmar,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&ld,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
227: } else {
228: PetscStackCallExternalVoid("ARPACKneupd",ARPACKneupd_(&fcomm,&rvec,howmny,ar->select,eps->eigr,eps->eigi,pV,&ld,&sigmar,&sigmai,ar->workev,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&ld,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
229: }
230: #else
231: PetscStackCallExternalVoid("ARPACKneupd",ARPACKneupd_(&fcomm,&rvec,howmny,ar->select,eps->eigr,pV,&ld,&sigmar,ar->workev,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&ld,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,ar->rwork,&info));
232: #endif
233: PetscCheck(info==0,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by ARPACK subroutine xxEUPD (%" PetscInt_FMT ")",info);
234: }
236: PetscCall(BVRestoreArray(eps->V,&pV));
237: PetscCall(VecRestoreArray(eps->work[1],&resid));
238: if (eps->nconv >= eps->nev) eps->reason = EPS_CONVERGED_TOL;
239: else eps->reason = EPS_DIVERGED_ITS;
241: PetscCall(VecDestroy(&x));
242: PetscCall(VecDestroy(&y));
243: PetscFunctionReturn(PETSC_SUCCESS);
244: }
246: static PetscErrorCode EPSBackTransform_ARPACK(EPS eps)
247: {
248: PetscBool isSinv;
250: PetscFunctionBegin;
251: PetscCall(PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&isSinv));
252: if (!isSinv) PetscCall(EPSBackTransform_Default(eps));
253: PetscFunctionReturn(PETSC_SUCCESS);
254: }
256: static PetscErrorCode EPSReset_ARPACK(EPS eps)
257: {
258: EPS_ARPACK *ar = (EPS_ARPACK*)eps->data;
260: PetscFunctionBegin;
261: PetscCall(PetscFree(ar->workev));
262: PetscCall(PetscFree(ar->workl));
263: PetscCall(PetscFree(ar->select));
264: PetscCall(PetscFree(ar->workd));
265: #if defined(PETSC_USE_COMPLEX)
266: PetscCall(PetscFree(ar->rwork));
267: #endif
268: PetscFunctionReturn(PETSC_SUCCESS);
269: }
271: static PetscErrorCode EPSDestroy_ARPACK(EPS eps)
272: {
273: PetscFunctionBegin;
274: PetscCall(PetscFree(eps->data));
275: PetscFunctionReturn(PETSC_SUCCESS);
276: }
278: SLEPC_EXTERN PetscErrorCode EPSCreate_ARPACK(EPS eps)
279: {
280: EPS_ARPACK *ctx;
282: PetscFunctionBegin;
283: PetscCall(PetscNew(&ctx));
284: eps->data = (void*)ctx;
286: eps->ops->solve = EPSSolve_ARPACK;
287: eps->ops->setup = EPSSetUp_ARPACK;
288: eps->ops->setupsort = EPSSetUpSort_Basic;
289: eps->ops->destroy = EPSDestroy_ARPACK;
290: eps->ops->reset = EPSReset_ARPACK;
291: eps->ops->backtransform = EPSBackTransform_ARPACK;
292: PetscFunctionReturn(PETSC_SUCCESS);
293: }