Actual source code: arpack.c
slepc-3.21.1 2024-04-26
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: if (eps->ncv!=PETSC_DEFAULT) {
25: PetscCheck(eps->ncv>=eps->nev+2,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The value of ncv must be at least nev+2");
26: } else eps->ncv = PetscMin(PetscMax(20,2*eps->nev+1),eps->n); /* set default value of ncv */
27: if (eps->mpd!=PETSC_DEFAULT) PetscCall(PetscInfo(eps,"Warning: parameter mpd ignored\n"));
28: if (eps->max_it==PETSC_DEFAULT) eps->max_it = PetscMax(300,(PetscInt)(2*eps->n/eps->ncv));
29: if (!eps->which) PetscCall(EPSSetWhichEigenpairs_Default(eps));
30: PetscCheck(eps->which!=EPS_ALL,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support computing all eigenvalues");
31: PetscCheck(eps->which!=EPS_WHICH_USER,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support user-defined ordering of eigenvalues");
32: EPSCheckUnsupported(eps,EPS_FEATURE_BALANCE | EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_CONVERGENCE | EPS_FEATURE_STOPPING | EPS_FEATURE_TWOSIDED);
33: EPSCheckIgnored(eps,EPS_FEATURE_EXTRACTION);
35: ncv = eps->ncv;
36: #if defined(PETSC_USE_COMPLEX)
37: PetscCall(PetscFree(ar->rwork));
38: PetscCall(PetscMalloc1(ncv,&ar->rwork));
39: ar->lworkl = 3*ncv*ncv+5*ncv;
40: PetscCall(PetscFree(ar->workev));
41: PetscCall(PetscMalloc1(3*ncv,&ar->workev));
42: #else
43: if (eps->ishermitian) {
44: ar->lworkl = ncv*(ncv+8);
45: } else {
46: ar->lworkl = 3*ncv*ncv+6*ncv;
47: PetscCall(PetscFree(ar->workev));
48: PetscCall(PetscMalloc1(3*ncv,&ar->workev));
49: }
50: #endif
51: PetscCall(PetscFree(ar->workl));
52: PetscCall(PetscMalloc1(ar->lworkl,&ar->workl));
53: PetscCall(PetscFree(ar->select));
54: PetscCall(PetscMalloc1(ncv,&ar->select));
55: PetscCall(PetscFree(ar->workd));
56: PetscCall(PetscMalloc1(3*eps->nloc,&ar->workd));
58: PetscCall(EPSAllocateSolution(eps,0));
59: PetscCall(EPS_SetInnerProduct(eps));
60: PetscCall(EPSSetWorkVecs(eps,2));
61: PetscFunctionReturn(PETSC_SUCCESS);
62: }
64: static PetscErrorCode EPSSolve_ARPACK(EPS eps)
65: {
66: EPS_ARPACK *ar = (EPS_ARPACK*)eps->data;
67: char bmat[1],howmny[] = "A";
68: const char *which;
69: PetscInt n,ld,iparam[11],ipntr[14],ido,info,nev,ncv,rvec;
70: #if !defined(PETSC_HAVE_MPIUNI) && !defined(PETSC_HAVE_MSMPI)
71: MPI_Fint fcomm;
72: #endif
73: PetscScalar sigmar,*pV,*resid;
74: Vec x,y,w = eps->work[0];
75: Mat A;
76: PetscBool isSinv,isShift;
77: #if !defined(PETSC_USE_COMPLEX)
78: PetscScalar sigmai = 0.0;
79: #endif
81: PetscFunctionBegin;
82: nev = eps->nev;
83: ncv = eps->ncv;
84: #if !defined(PETSC_HAVE_MPIUNI) && !defined(PETSC_HAVE_MSMPI)
85: fcomm = MPI_Comm_c2f(PetscObjectComm((PetscObject)eps));
86: #endif
87: n = eps->nloc;
88: PetscCall(EPSGetStartVector(eps,0,NULL));
89: PetscCall(BVSetActiveColumns(eps->V,0,0)); /* just for deflation space */
90: PetscCall(BVCopyVec(eps->V,0,eps->work[1]));
91: PetscCall(BVGetLeadingDimension(eps->V,&ld));
92: PetscCall(BVGetArray(eps->V,&pV));
93: PetscCall(VecGetArray(eps->work[1],&resid));
95: ido = 0; /* first call to reverse communication interface */
96: info = 1; /* indicates an initial vector is provided */
97: iparam[0] = 1; /* use exact shifts */
98: iparam[2] = eps->max_it; /* max Arnoldi iterations */
99: iparam[3] = 1; /* blocksize */
100: iparam[4] = 0; /* number of converged Ritz values */
102: /*
103: Computational modes ([]=not supported):
104: symmetric non-symmetric complex
105: 1 1 'I' 1 'I' 1 'I'
106: 2 3 'I' 3 'I' 3 'I'
107: 3 2 'G' 2 'G' 2 'G'
108: 4 3 'G' 3 'G' 3 'G'
109: 5 [ 4 'G' ] [ 3 'G' ]
110: 6 [ 5 'G' ] [ 4 'G' ]
111: */
112: PetscCall(PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&isSinv));
113: PetscCall(PetscObjectTypeCompare((PetscObject)eps->st,STSHIFT,&isShift));
114: PetscCall(STGetShift(eps->st,&sigmar));
115: PetscCall(STGetMatrix(eps->st,0,&A));
116: PetscCall(MatCreateVecsEmpty(A,&x,&y));
118: if (isSinv) {
119: /* shift-and-invert mode */
120: iparam[6] = 3;
121: if (eps->ispositive) bmat[0] = 'G';
122: else bmat[0] = 'I';
123: } else if (isShift && eps->ispositive) {
124: /* generalized shift mode with B positive definite */
125: iparam[6] = 2;
126: bmat[0] = 'G';
127: } else {
128: /* regular mode */
129: PetscCheck(!eps->ishermitian || !eps->isgeneralized,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Spectral transformation not supported by ARPACK hermitian solver");
130: iparam[6] = 1;
131: bmat[0] = 'I';
132: }
134: #if !defined(PETSC_USE_COMPLEX)
135: if (eps->ishermitian) {
136: switch (eps->which) {
137: case EPS_TARGET_MAGNITUDE:
138: case EPS_LARGEST_MAGNITUDE: which = "LM"; break;
139: case EPS_SMALLEST_MAGNITUDE: which = "SM"; break;
140: case EPS_TARGET_REAL:
141: case EPS_LARGEST_REAL: which = "LA"; break;
142: case EPS_SMALLEST_REAL: which = "SA"; break;
143: default: SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"Wrong value of eps->which");
144: }
145: } else {
146: #endif
147: switch (eps->which) {
148: case EPS_TARGET_MAGNITUDE:
149: case EPS_LARGEST_MAGNITUDE: which = "LM"; break;
150: case EPS_SMALLEST_MAGNITUDE: which = "SM"; break;
151: case EPS_TARGET_REAL:
152: case EPS_LARGEST_REAL: which = "LR"; break;
153: case EPS_SMALLEST_REAL: which = "SR"; break;
154: case EPS_TARGET_IMAGINARY:
155: case EPS_LARGEST_IMAGINARY: which = "LI"; break;
156: case EPS_SMALLEST_IMAGINARY: which = "SI"; break;
157: default: SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"Wrong value of eps->which");
158: }
159: #if !defined(PETSC_USE_COMPLEX)
160: }
161: #endif
163: do {
165: #if !defined(PETSC_USE_COMPLEX)
166: if (eps->ishermitian) {
167: PetscStackCallExternalVoid("ARPACKsaupd",ARPACKsaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&ld,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
168: } else {
169: PetscStackCallExternalVoid("ARPACKnaupd",ARPACKnaupd_(&fcomm,&ido,bmat,&n,which,&nev,&eps->tol,resid,&ncv,pV,&ld,iparam,ipntr,ar->workd,ar->workl,&ar->lworkl,&info));
170: }
171: #else
172: 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));
173: #endif
175: if (ido == -1 || ido == 1 || ido == 2) {
176: 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*/
177: else PetscCall(VecPlaceArray(x,&ar->workd[ipntr[0]-1]));
178: PetscCall(VecPlaceArray(y,&ar->workd[ipntr[1]-1]));
180: if (ido == -1) {
181: /* Y = OP * X for the initialization phase to
182: force the starting vector into the range of OP */
183: PetscCall(STApply(eps->st,x,y));
184: } else if (ido == 2) {
185: /* Y = B * X */
186: PetscCall(BVApplyMatrix(eps->V,x,y));
187: } else { /* ido == 1 */
188: if (iparam[6] == 3 && bmat[0] == 'G') {
189: /* Y = OP * X for shift-and-invert with B semi-positive definite */
190: PetscCall(STMatSolve(eps->st,x,y));
191: } else if (iparam[6] == 2) {
192: /* X=A*X Y=B^-1*X for shift with B positive definite */
193: PetscCall(MatMult(A,x,y));
194: if (sigmar != 0.0) {
195: PetscCall(BVApplyMatrix(eps->V,x,w));
196: PetscCall(VecAXPY(y,sigmar,w));
197: }
198: PetscCall(VecCopy(y,x));
199: PetscCall(STMatSolve(eps->st,x,y));
200: } else {
201: /* Y = OP * X */
202: PetscCall(STApply(eps->st,x,y));
203: }
204: PetscCall(BVOrthogonalizeVec(eps->V,y,NULL,NULL,NULL));
205: }
207: PetscCall(VecResetArray(x));
208: PetscCall(VecResetArray(y));
209: } else PetscCheck(ido==99,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Internal error in ARPACK reverse communication interface (ido=%" PetscInt_FMT ")",ido);
211: } while (ido != 99);
213: eps->nconv = iparam[4];
214: eps->its = iparam[2];
216: 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");
217: PetscCheck(info==0 || info==1,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by ARPACK subroutine xxAUPD (%" PetscInt_FMT ")",info);
219: rvec = PETSC_TRUE;
221: if (eps->nconv > 0) {
222: #if !defined(PETSC_USE_COMPLEX)
223: if (eps->ishermitian) {
224: 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));
225: } else {
226: 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));
227: }
228: #else
229: 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));
230: #endif
231: PetscCheck(info==0,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by ARPACK subroutine xxEUPD (%" PetscInt_FMT ")",info);
232: }
234: PetscCall(BVRestoreArray(eps->V,&pV));
235: PetscCall(VecRestoreArray(eps->work[1],&resid));
236: if (eps->nconv >= eps->nev) eps->reason = EPS_CONVERGED_TOL;
237: else eps->reason = EPS_DIVERGED_ITS;
239: PetscCall(VecDestroy(&x));
240: PetscCall(VecDestroy(&y));
241: PetscFunctionReturn(PETSC_SUCCESS);
242: }
244: static PetscErrorCode EPSBackTransform_ARPACK(EPS eps)
245: {
246: PetscBool isSinv;
248: PetscFunctionBegin;
249: PetscCall(PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&isSinv));
250: if (!isSinv) PetscCall(EPSBackTransform_Default(eps));
251: PetscFunctionReturn(PETSC_SUCCESS);
252: }
254: static PetscErrorCode EPSReset_ARPACK(EPS eps)
255: {
256: EPS_ARPACK *ar = (EPS_ARPACK*)eps->data;
258: PetscFunctionBegin;
259: PetscCall(PetscFree(ar->workev));
260: PetscCall(PetscFree(ar->workl));
261: PetscCall(PetscFree(ar->select));
262: PetscCall(PetscFree(ar->workd));
263: #if defined(PETSC_USE_COMPLEX)
264: PetscCall(PetscFree(ar->rwork));
265: #endif
266: PetscFunctionReturn(PETSC_SUCCESS);
267: }
269: static PetscErrorCode EPSDestroy_ARPACK(EPS eps)
270: {
271: PetscFunctionBegin;
272: PetscCall(PetscFree(eps->data));
273: PetscFunctionReturn(PETSC_SUCCESS);
274: }
276: SLEPC_EXTERN PetscErrorCode EPSCreate_ARPACK(EPS eps)
277: {
278: EPS_ARPACK *ctx;
280: PetscFunctionBegin;
281: PetscCall(PetscNew(&ctx));
282: eps->data = (void*)ctx;
284: eps->ops->solve = EPSSolve_ARPACK;
285: eps->ops->setup = EPSSetUp_ARPACK;
286: eps->ops->setupsort = EPSSetUpSort_Basic;
287: eps->ops->destroy = EPSDestroy_ARPACK;
288: eps->ops->reset = EPSReset_ARPACK;
289: eps->ops->backtransform = EPSBackTransform_ARPACK;
290: PetscFunctionReturn(PETSC_SUCCESS);
291: }