Line | Branch | Exec | Source |
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1 | /* | ||
2 | - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - | ||
3 | SLEPc - Scalable Library for Eigenvalue Problem Computations | ||
4 | Copyright (c) 2002-, Universitat Politecnica de Valencia, Spain | ||
5 | |||
6 | This file is part of SLEPc. | ||
7 | SLEPc is distributed under a 2-clause BSD license (see LICENSE). | ||
8 | - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - | ||
9 | */ | ||
10 | /* | ||
11 | SLEPc eigensolver: "lobpcg" | ||
12 | |||
13 | Method: Locally Optimal Block Preconditioned Conjugate Gradient | ||
14 | |||
15 | Algorithm: | ||
16 | |||
17 | LOBPCG with soft and hard locking. Follows the implementation | ||
18 | in BLOPEX [2]. | ||
19 | |||
20 | References: | ||
21 | |||
22 | [1] A. V. Knyazev, "Toward the optimal preconditioned eigensolver: | ||
23 | locally optimal block preconditioned conjugate gradient method", | ||
24 | SIAM J. Sci. Comput. 23(2):517-541, 2001. | ||
25 | |||
26 | [2] A. V. Knyazev et al., "Block Locally Optimal Preconditioned | ||
27 | Eigenvalue Xolvers (BLOPEX) in Hypre and PETSc", SIAM J. Sci. | ||
28 | Comput. 29(5):2224-2239, 2007. | ||
29 | */ | ||
30 | |||
31 | #include <slepc/private/epsimpl.h> /*I "slepceps.h" I*/ | ||
32 | |||
33 | typedef struct { | ||
34 | PetscInt bs; /* block size */ | ||
35 | PetscBool lock; /* soft locking active/inactive */ | ||
36 | PetscReal restart; /* restart parameter */ | ||
37 | PetscInt guard; /* number of guard vectors */ | ||
38 | } EPS_LOBPCG; | ||
39 | |||
40 | 284 | static PetscErrorCode EPSSetDimensions_LOBPCG(EPS eps,PetscInt *nev,PetscInt *ncv,PetscInt *mpd) | |
41 | { | ||
42 | 284 | EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data; | |
43 | 284 | PetscInt k; | |
44 | |||
45 |
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284 | PetscFunctionBegin; |
46 |
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284 | if (*nev==0) *nev = 1; |
47 | 284 | k = PetscMax(3*ctx->bs,((*nev-1)/ctx->bs+3)*ctx->bs); | |
48 |
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284 | if (*ncv!=PETSC_DETERMINE) { /* ncv set */ |
49 |
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95 | PetscCheck(*ncv>=k,PetscObjectComm((PetscObject)eps),PETSC_ERR_USER_INPUT,"The value of ncv is not sufficiently large"); |
50 | 189 | } else *ncv = k; | |
51 |
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284 | if (*mpd==PETSC_DETERMINE) *mpd = 3*ctx->bs; |
52 |
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60 | else PetscCheck(*mpd==3*ctx->bs,PetscObjectComm((PetscObject)eps),PETSC_ERR_USER_INPUT,"This solver does not allow a value of mpd different from 3*blocksize"); |
53 |
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58 | PetscFunctionReturn(PETSC_SUCCESS); |
54 | } | ||
55 | |||
56 | 284 | static PetscErrorCode EPSSetUp_LOBPCG(EPS eps) | |
57 | { | ||
58 | 284 | EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data; | |
59 | |||
60 |
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284 | PetscFunctionBegin; |
61 |
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284 | EPSCheckHermitianDefinite(eps); |
62 |
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284 | EPSCheckNotStructured(eps); |
63 |
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408 | if (!ctx->bs) ctx->bs = PetscMin(16,eps->nev?eps->nev:1); |
64 |
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284 | PetscCheck(eps->n-eps->nds>=5*ctx->bs,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"The problem size is too small relative to the block size"); |
65 |
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284 | PetscCall(EPSSetDimensions_LOBPCG(eps,&eps->nev,&eps->ncv,&eps->mpd)); |
66 |
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284 | if (eps->max_it==PETSC_DETERMINE) eps->max_it = PetscMax(100,2*eps->n/eps->ncv); |
67 |
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284 | if (!eps->which) eps->which = EPS_SMALLEST_REAL; |
68 |
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284 | PetscCheck(eps->which==EPS_SMALLEST_REAL || eps->which==EPS_LARGEST_REAL,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver supports only smallest real or largest real eigenvalues"); |
69 |
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284 | EPSCheckUnsupported(eps,EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_EXTRACTION | EPS_FEATURE_THRESHOLD); |
70 |
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284 | EPSCheckIgnored(eps,EPS_FEATURE_BALANCE); |
71 | |||
72 |
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284 | if (!ctx->restart) ctx->restart = 0.9; |
73 | |||
74 | /* number of guard vectors */ | ||
75 |
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284 | if (ctx->bs==1) ctx->guard = 0; |
76 | 244 | else ctx->guard = PetscMin((PetscInt)((1.0-ctx->restart)*ctx->bs+0.45),ctx->bs-1); | |
77 | |||
78 |
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284 | PetscCall(EPSAllocateSolution(eps,0)); |
79 |
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284 | PetscCall(EPS_SetInnerProduct(eps)); |
80 |
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284 | PetscCall(DSSetType(eps->ds,DSGHEP)); |
81 |
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284 | PetscCall(DSAllocate(eps->ds,eps->mpd)); |
82 |
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284 | PetscCall(EPSSetWorkVecs(eps,1)); |
83 |
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58 | PetscFunctionReturn(PETSC_SUCCESS); |
84 | } | ||
85 | |||
86 | 284 | static PetscErrorCode EPSSolve_LOBPCG(EPS eps) | |
87 | { | ||
88 | 284 | EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data; | |
89 | 284 | PetscInt i,j,k,nv,ini,nmat,nc,nconv,locked,its,prev=0; | |
90 | 284 | PetscReal norm; | |
91 | 284 | PetscScalar *eigr,dot; | |
92 | 284 | PetscBool breakdown,countc,flip=PETSC_FALSE,checkprecond=PETSC_FALSE; | |
93 | 284 | Mat A,B,M,V=NULL,W=NULL; | |
94 | 284 | Vec v,z,w=eps->work[0]; | |
95 | 284 | BV X,Y=NULL,Z,R,P,AX,BX; | |
96 | 284 | SlepcSC sc; | |
97 | |||
98 |
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284 | PetscFunctionBegin; |
99 |
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284 | PetscCall(STGetNumMatrices(eps->st,&nmat)); |
100 |
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284 | PetscCall(STGetMatrix(eps->st,0,&A)); |
101 |
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284 | if (nmat>1) PetscCall(STGetMatrix(eps->st,1,&B)); |
102 | 209 | else B = NULL; | |
103 | |||
104 |
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284 | if (eps->which==EPS_LARGEST_REAL) { /* flip spectrum */ |
105 | 12 | flip = PETSC_TRUE; | |
106 |
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12 | PetscCall(DSGetSlepcSC(eps->ds,&sc)); |
107 | 12 | sc->comparison = SlepcCompareSmallestReal; | |
108 | } | ||
109 | |||
110 | /* undocumented option to check for a positive-definite preconditioner (turn-off by default) */ | ||
111 |
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284 | PetscCall(PetscOptionsGetBool(NULL,NULL,"-eps_lobpcg_checkprecond",&checkprecond,NULL)); |
112 | |||
113 | /* 1. Allocate memory */ | ||
114 |
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284 | PetscCall(PetscCalloc1(3*ctx->bs,&eigr)); |
115 |
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284 | PetscCall(BVDuplicateResize(eps->V,3*ctx->bs,&Z)); |
116 |
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284 | PetscCall(BVDuplicateResize(eps->V,ctx->bs,&X)); |
117 |
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284 | PetscCall(BVDuplicateResize(eps->V,ctx->bs,&R)); |
118 |
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284 | PetscCall(BVDuplicateResize(eps->V,ctx->bs,&P)); |
119 |
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284 | PetscCall(BVDuplicateResize(eps->V,ctx->bs,&AX)); |
120 |
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284 | if (B) PetscCall(BVDuplicateResize(eps->V,ctx->bs,&BX)); |
121 | 284 | nc = eps->nds; | |
122 |
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284 | if (nc>0 || eps->nev>ctx->bs-ctx->guard) PetscCall(BVDuplicateResize(eps->V,nc+eps->nev,&Y)); |
123 |
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284 | if (nc>0) { |
124 |
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62 | for (j=0;j<nc;j++) { |
125 |
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38 | PetscCall(BVGetColumn(eps->V,-nc+j,&v)); |
126 |
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38 | PetscCall(BVInsertVec(Y,j,v)); |
127 |
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38 | PetscCall(BVRestoreColumn(eps->V,-nc+j,&v)); |
128 | } | ||
129 |
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24 | PetscCall(BVSetActiveColumns(Y,0,nc)); |
130 | } | ||
131 | |||
132 | /* 2. Apply the constraints to the initial vectors */ | ||
133 | /* 3. B-orthogonalize initial vectors */ | ||
134 |
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2933 | for (k=eps->nini;k<eps->ncv-ctx->bs;k++) { /* Generate more initial vectors if necessary */ |
135 |
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2649 | PetscCall(BVSetRandomColumn(eps->V,k)); |
136 |
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2649 | PetscCall(BVOrthonormalizeColumn(eps->V,k,PETSC_TRUE,NULL,NULL)); |
137 | } | ||
138 | 284 | nv = ctx->bs; | |
139 |
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284 | PetscCall(BVSetActiveColumns(eps->V,0,nv)); |
140 |
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284 | PetscCall(BVSetActiveColumns(Z,0,nv)); |
141 |
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284 | PetscCall(BVCopy(eps->V,Z)); |
142 |
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284 | PetscCall(BVCopy(Z,X)); |
143 | |||
144 | /* 4. Compute initial Ritz vectors */ | ||
145 |
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284 | PetscCall(BVMatMult(X,A,AX)); |
146 |
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284 | PetscCall(DSSetDimensions(eps->ds,nv,0,0)); |
147 |
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284 | PetscCall(DSGetMat(eps->ds,DS_MAT_A,&M)); |
148 |
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284 | PetscCall(BVMatProject(AX,NULL,X,M)); |
149 |
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284 | if (flip) PetscCall(MatScale(M,-1.0)); |
150 |
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284 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&M)); |
151 |
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284 | PetscCall(DSSetIdentity(eps->ds,DS_MAT_B)); |
152 |
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284 | PetscCall(DSSetState(eps->ds,DS_STATE_RAW)); |
153 |
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284 | PetscCall(DSSolve(eps->ds,eigr,NULL)); |
154 |
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284 | PetscCall(DSSort(eps->ds,eigr,NULL,NULL,NULL,NULL)); |
155 |
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284 | PetscCall(DSSynchronize(eps->ds,eigr,NULL)); |
156 |
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1361 | for (j=0;j<nv;j++) eps->eigr[j] = flip? -eigr[j]: eigr[j]; |
157 |
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284 | PetscCall(DSVectors(eps->ds,DS_MAT_X,NULL,NULL)); |
158 |
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284 | PetscCall(DSGetMat(eps->ds,DS_MAT_X,&M)); |
159 |
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284 | PetscCall(BVMultInPlace(X,M,0,nv)); |
160 |
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284 | PetscCall(BVMultInPlace(AX,M,0,nv)); |
161 |
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284 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_X,&M)); |
162 | |||
163 | /* 5. Initialize range of active iterates */ | ||
164 | locked = 0; /* hard-locked vectors, the leading locked columns of V are eigenvectors */ | ||
165 | nconv = 0; /* number of converged eigenvalues in the current block */ | ||
166 | its = 0; /* iterations for the current block */ | ||
167 | |||
168 | /* 6. Main loop */ | ||
169 | 15522 | while (eps->reason == EPS_CONVERGED_ITERATING) { | |
170 | |||
171 |
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15522 | if (ctx->lock) { |
172 |
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12050 | PetscCall(BVSetActiveColumns(R,nconv,ctx->bs)); |
173 |
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12050 | PetscCall(BVSetActiveColumns(AX,nconv,ctx->bs)); |
174 |
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12050 | if (B) PetscCall(BVSetActiveColumns(BX,nconv,ctx->bs)); |
175 | } | ||
176 | |||
177 | /* 7. Compute residuals */ | ||
178 |
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15522 | ini = (ctx->lock)? nconv: 0; |
179 |
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15522 | PetscCall(BVCopy(AX,R)); |
180 |
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15522 | if (B) PetscCall(BVMatMult(X,B,BX)); |
181 |
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60943 | for (j=ini;j<ctx->bs;j++) { |
182 |
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45421 | PetscCall(BVGetColumn(R,j,&v)); |
183 |
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45421 | PetscCall(BVGetColumn(B?BX:X,j,&z)); |
184 |
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45421 | PetscCall(VecAXPY(v,-eps->eigr[locked+j],z)); |
185 |
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45421 | PetscCall(BVRestoreColumn(R,j,&v)); |
186 |
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45421 | PetscCall(BVRestoreColumn(B?BX:X,j,&z)); |
187 | } | ||
188 | |||
189 | /* 8. Compute residual norms and update index set of active iterates */ | ||
190 | k = ini; | ||
191 | countc = PETSC_TRUE; | ||
192 |
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17771 | for (j=ini;j<ctx->bs;j++) { |
193 | 17523 | i = locked+j; | |
194 |
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17523 | PetscCall(BVGetColumn(R,j,&v)); |
195 |
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17523 | PetscCall(VecNorm(v,NORM_2,&norm)); |
196 |
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17523 | PetscCall(BVRestoreColumn(R,j,&v)); |
197 |
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17523 | PetscCall((*eps->converged)(eps,eps->eigr[i],eps->eigi[i],norm,&eps->errest[i],eps->convergedctx)); |
198 |
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17523 | if (countc) { |
199 |
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17523 | if (eps->errest[i] < eps->tol) k++; |
200 | else countc = PETSC_FALSE; | ||
201 | } | ||
202 |
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17523 | if (!countc && !eps->trackall) break; |
203 | } | ||
204 | 15522 | nconv = k; | |
205 | 15522 | eps->nconv = locked + nconv; | |
206 |
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15522 | if (its) PetscCall(EPSMonitor(eps,eps->its+its,eps->nconv,eps->eigr,eps->eigi,eps->errest,locked+ctx->bs)); |
207 |
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15522 | PetscCall((*eps->stopping)(eps,eps->its+its,eps->max_it,eps->nconv,eps->nev,&eps->reason,eps->stoppingctx)); |
208 |
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15522 | if (eps->reason != EPS_CONVERGED_ITERATING || nconv >= ctx->bs-ctx->guard) { |
209 |
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350 | PetscCall(BVSetActiveColumns(eps->V,locked,eps->nconv)); |
210 |
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350 | PetscCall(BVSetActiveColumns(X,0,nconv)); |
211 |
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350 | PetscCall(BVCopy(X,eps->V)); |
212 | } | ||
213 |
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15522 | if (eps->reason != EPS_CONVERGED_ITERATING) { |
214 | break; | ||
215 |
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15238 | } else if (nconv >= ctx->bs-ctx->guard) { |
216 | 66 | eps->its += its-1; | |
217 | 66 | its = 0; | |
218 | 15172 | } else its++; | |
219 | |||
220 |
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15238 | if (nconv >= ctx->bs-ctx->guard) { /* force hard locking of vectors and compute new R */ |
221 | |||
222 | /* extend constraints */ | ||
223 |
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66 | PetscCall(BVSetActiveColumns(Y,nc+locked,nc+locked+nconv)); |
224 |
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66 | PetscCall(BVCopy(X,Y)); |
225 |
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66 | PetscCall(BVSetActiveColumns(Y,0,nc+locked+nconv)); |
226 | |||
227 | /* shift work BV's */ | ||
228 |
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102 | for (j=nconv;j<ctx->bs;j++) { |
229 |
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36 | PetscCall(BVCopyColumn(X,j,j-nconv)); |
230 |
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36 | PetscCall(BVCopyColumn(R,j,j-nconv)); |
231 |
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36 | PetscCall(BVCopyColumn(P,j,j-nconv)); |
232 |
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36 | PetscCall(BVCopyColumn(AX,j,j-nconv)); |
233 |
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36 | if (B) PetscCall(BVCopyColumn(BX,j,j-nconv)); |
234 | } | ||
235 | |||
236 | /* set new initial vectors */ | ||
237 |
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66 | PetscCall(BVSetActiveColumns(eps->V,locked+ctx->bs,locked+ctx->bs+nconv)); |
238 |
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66 | PetscCall(BVSetActiveColumns(X,ctx->bs-nconv,ctx->bs)); |
239 |
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66 | PetscCall(BVCopy(eps->V,X)); |
240 |
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316 | for (j=ctx->bs-nconv;j<ctx->bs;j++) { |
241 |
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250 | PetscCall(BVGetColumn(X,j,&v)); |
242 |
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250 | PetscCall(BVOrthogonalizeVec(Y,v,NULL,&norm,&breakdown)); |
243 |
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250 | if (norm>0.0 && !breakdown) PetscCall(VecScale(v,1.0/norm)); |
244 | else { | ||
245 | ✗ | PetscCall(PetscInfo(eps,"Orthogonalization of initial vector failed\n")); | |
246 | ✗ | eps->reason = EPS_DIVERGED_BREAKDOWN; | |
247 | ✗ | goto diverged; | |
248 | } | ||
249 |
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250 | PetscCall(BVRestoreColumn(X,j,&v)); |
250 | } | ||
251 | 66 | locked += nconv; | |
252 | 66 | nconv = 0; | |
253 |
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66 | PetscCall(BVSetActiveColumns(X,nconv,ctx->bs)); |
254 | |||
255 | /* B-orthogonalize initial vectors */ | ||
256 |
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66 | PetscCall(BVOrthogonalize(X,NULL)); |
257 |
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66 | PetscCall(BVSetActiveColumns(Z,nconv,ctx->bs)); |
258 |
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66 | PetscCall(BVSetActiveColumns(AX,nconv,ctx->bs)); |
259 |
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66 | PetscCall(BVCopy(X,Z)); |
260 | |||
261 | /* compute initial Ritz vectors */ | ||
262 | 66 | nv = ctx->bs; | |
263 |
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66 | PetscCall(BVMatMult(X,A,AX)); |
264 |
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66 | PetscCall(DSSetDimensions(eps->ds,nv,0,0)); |
265 |
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66 | PetscCall(DSGetMat(eps->ds,DS_MAT_A,&M)); |
266 |
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66 | PetscCall(BVMatProject(AX,NULL,X,M)); |
267 |
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66 | if (flip) PetscCall(MatScale(M,-1.0)); |
268 |
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66 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&M)); |
269 |
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66 | PetscCall(DSSetIdentity(eps->ds,DS_MAT_B)); |
270 |
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66 | PetscCall(DSSetState(eps->ds,DS_STATE_RAW)); |
271 |
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66 | PetscCall(DSSolve(eps->ds,eigr,NULL)); |
272 |
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66 | PetscCall(DSSort(eps->ds,eigr,NULL,NULL,NULL,NULL)); |
273 |
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66 | PetscCall(DSSynchronize(eps->ds,eigr,NULL)); |
274 |
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352 | for (j=0;j<nv;j++) if (locked+j<eps->ncv) eps->eigr[locked+j] = flip? -eigr[j]: eigr[j]; |
275 |
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66 | PetscCall(DSVectors(eps->ds,DS_MAT_X,NULL,NULL)); |
276 |
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66 | PetscCall(DSGetMat(eps->ds,DS_MAT_X,&M)); |
277 |
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66 | PetscCall(BVMultInPlace(X,M,0,nv)); |
278 |
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66 | PetscCall(BVMultInPlace(AX,M,0,nv)); |
279 |
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66 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_X,&M)); |
280 | |||
281 | 66 | continue; /* skip the rest of the iteration */ | |
282 | } | ||
283 | |||
284 |
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15172 | ini = (ctx->lock)? nconv: 0; |
285 |
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15172 | if (ctx->lock) { |
286 |
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11740 | PetscCall(BVSetActiveColumns(R,nconv,ctx->bs)); |
287 |
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11740 | PetscCall(BVSetActiveColumns(P,nconv,ctx->bs)); |
288 |
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11740 | PetscCall(BVSetActiveColumns(AX,nconv,ctx->bs)); |
289 |
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11740 | if (B) PetscCall(BVSetActiveColumns(BX,nconv,ctx->bs)); |
290 | } | ||
291 | |||
292 | /* 9. Apply preconditioner to the residuals */ | ||
293 |
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15172 | PetscCall(BVGetMat(R,&V)); |
294 |
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15172 | if (prev != ctx->bs-ini) { |
295 | 890 | prev = ctx->bs-ini; | |
296 |
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890 | PetscCall(MatDestroy(&W)); |
297 |
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890 | PetscCall(MatDuplicate(V,MAT_SHARE_NONZERO_PATTERN,&W)); |
298 | } | ||
299 |
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15172 | PetscCall(STApplyMat(eps->st,V,W)); |
300 |
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15172 | if (checkprecond) { |
301 |
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|
13728 | for (j=ini;j<ctx->bs;j++) { |
302 |
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10296 | PetscCall(MatDenseGetColumnVecRead(V,j-ini,&v)); |
303 |
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10296 | PetscCall(MatDenseGetColumnVecRead(W,j-ini,&w)); |
304 |
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10296 | PetscCall(VecDot(v,w,&dot)); |
305 |
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10296 | PetscCall(MatDenseRestoreColumnVecRead(W,j-ini,&w)); |
306 |
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10296 | PetscCall(MatDenseRestoreColumnVecRead(V,j-ini,&v)); |
307 |
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10296 | if (PetscRealPart(dot)<0.0) { |
308 | ✗ | PetscCall(PetscInfo(eps,"The preconditioner is not positive-definite\n")); | |
309 | ✗ | eps->reason = EPS_DIVERGED_BREAKDOWN; | |
310 | ✗ | goto diverged; | |
311 | } | ||
312 | } | ||
313 | } | ||
314 |
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15172 | if (nc+locked>0) { |
315 |
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13844 | for (j=ini;j<ctx->bs;j++) { |
316 |
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10651 | PetscCall(MatDenseGetColumnVecWrite(W,j-ini,&w)); |
317 |
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|
10651 | PetscCall(BVOrthogonalizeVec(Y,w,NULL,&norm,&breakdown)); |
318 |
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10651 | if (norm>0.0 && !breakdown) PetscCall(VecScale(w,1.0/norm)); |
319 |
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10651 | PetscCall(MatDenseRestoreColumnVecWrite(W,j-ini,&w)); |
320 |
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|
10651 | if (norm<=0.0 || breakdown) { |
321 | ✗ | PetscCall(PetscInfo(eps,"Orthogonalization of preconditioned residual failed\n")); | |
322 | ✗ | eps->reason = EPS_DIVERGED_BREAKDOWN; | |
323 | ✗ | goto diverged; | |
324 | } | ||
325 | } | ||
326 | } | ||
327 |
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15172 | PetscCall(MatCopy(W,V,SAME_NONZERO_PATTERN)); |
328 |
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|
15172 | PetscCall(BVRestoreMat(R,&V)); |
329 | |||
330 | /* 11. B-orthonormalize preconditioned residuals */ | ||
331 |
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15172 | PetscCall(BVOrthogonalize(R,NULL)); |
332 | |||
333 | /* 13-16. B-orthonormalize conjugate directions */ | ||
334 |
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15172 | if (its>1) PetscCall(BVOrthogonalize(P,NULL)); |
335 | |||
336 | /* 17-23. Compute symmetric Gram matrices */ | ||
337 |
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15172 | PetscCall(BVSetActiveColumns(Z,0,ctx->bs)); |
338 |
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15172 | PetscCall(BVSetActiveColumns(X,0,ctx->bs)); |
339 |
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15172 | PetscCall(BVCopy(X,Z)); |
340 |
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15172 | PetscCall(BVSetActiveColumns(Z,ctx->bs,2*ctx->bs-ini)); |
341 |
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15172 | PetscCall(BVCopy(R,Z)); |
342 |
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15172 | if (its>1) { |
343 |
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14832 | PetscCall(BVSetActiveColumns(Z,2*ctx->bs-ini,3*ctx->bs-2*ini)); |
344 |
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14832 | PetscCall(BVCopy(P,Z)); |
345 | } | ||
346 | |||
347 |
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14900 | if (its>1) nv = 3*ctx->bs-2*ini; |
348 | 340 | else nv = 2*ctx->bs-ini; | |
349 | |||
350 |
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15172 | PetscCall(BVSetActiveColumns(Z,0,nv)); |
351 |
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|
15172 | PetscCall(DSSetDimensions(eps->ds,nv,0,0)); |
352 |
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15172 | PetscCall(DSGetMat(eps->ds,DS_MAT_A,&M)); |
353 |
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15172 | PetscCall(BVMatProject(Z,A,Z,M)); |
354 |
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15172 | if (flip) PetscCall(MatScale(M,-1.0)); |
355 |
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15172 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&M)); |
356 |
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15172 | PetscCall(DSGetMat(eps->ds,DS_MAT_B,&M)); |
357 |
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15172 | PetscCall(BVMatProject(Z,B,Z,M)); /* covers also the case B=NULL */ |
358 |
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|
15172 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_B,&M)); |
359 | |||
360 | /* 24. Solve the generalized eigenvalue problem */ | ||
361 |
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15172 | PetscCall(DSSetState(eps->ds,DS_STATE_RAW)); |
362 |
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15172 | PetscCall(DSSolve(eps->ds,eigr,NULL)); |
363 |
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15172 | PetscCall(DSSort(eps->ds,eigr,NULL,NULL,NULL,NULL)); |
364 |
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15172 | PetscCall(DSSynchronize(eps->ds,eigr,NULL)); |
365 |
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|
155524 | for (j=0;j<nv;j++) if (locked+j<eps->ncv) eps->eigr[locked+j] = flip? -eigr[j]: eigr[j]; |
366 |
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15172 | PetscCall(DSVectors(eps->ds,DS_MAT_X,NULL,NULL)); |
367 | |||
368 | /* 25-33. Compute Ritz vectors */ | ||
369 |
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15172 | PetscCall(DSGetMat(eps->ds,DS_MAT_X,&M)); |
370 |
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15172 | PetscCall(BVSetActiveColumns(Z,ctx->bs,nv)); |
371 |
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15172 | if (ctx->lock) PetscCall(BVSetActiveColumns(P,0,ctx->bs)); |
372 |
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15172 | PetscCall(BVMult(P,1.0,0.0,Z,M)); |
373 |
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15172 | PetscCall(BVCopy(P,X)); |
374 |
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15172 | if (ctx->lock) PetscCall(BVSetActiveColumns(P,nconv,ctx->bs)); |
375 |
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15172 | PetscCall(BVSetActiveColumns(Z,0,ctx->bs)); |
376 |
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15172 | PetscCall(BVMult(X,1.0,1.0,Z,M)); |
377 |
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15172 | if (ctx->lock) PetscCall(BVSetActiveColumns(X,nconv,ctx->bs)); |
378 |
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15172 | PetscCall(BVMatMult(X,A,AX)); |
379 |
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30694 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_X,&M)); |
380 | } | ||
381 | |||
382 | 284 | diverged: | |
383 | 284 | eps->its += its; | |
384 | |||
385 |
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284 | if (flip) sc->comparison = SlepcCompareLargestReal; |
386 |
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284 | PetscCall(PetscFree(eigr)); |
387 |
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284 | PetscCall(MatDestroy(&W)); |
388 |
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284 | if (V) PetscCall(BVRestoreMat(R,&V)); /* only needed when goto diverged is reached */ |
389 |
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284 | PetscCall(BVDestroy(&Z)); |
390 |
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284 | PetscCall(BVDestroy(&X)); |
391 |
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284 | PetscCall(BVDestroy(&R)); |
392 |
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284 | PetscCall(BVDestroy(&P)); |
393 |
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284 | PetscCall(BVDestroy(&AX)); |
394 |
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284 | if (B) PetscCall(BVDestroy(&BX)); |
395 |
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284 | if (nc>0 || eps->nev>ctx->bs-ctx->guard) PetscCall(BVDestroy(&Y)); |
396 |
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58 | PetscFunctionReturn(PETSC_SUCCESS); |
397 | } | ||
398 | |||
399 | 80 | static PetscErrorCode EPSLOBPCGSetBlockSize_LOBPCG(EPS eps,PetscInt bs) | |
400 | { | ||
401 | 80 | EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data; | |
402 | |||
403 |
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80 | PetscFunctionBegin; |
404 |
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80 | if (bs == PETSC_DEFAULT || bs == PETSC_DECIDE) bs = 0; |
405 |
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80 | else PetscCheck(bs>0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"Invalid block size %" PetscInt_FMT,bs); |
406 |
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80 | if (ctx->bs != bs) { |
407 | 80 | ctx->bs = bs; | |
408 | 80 | eps->state = EPS_STATE_INITIAL; | |
409 | } | ||
410 |
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16 | PetscFunctionReturn(PETSC_SUCCESS); |
411 | } | ||
412 | |||
413 | /*@ | ||
414 | EPSLOBPCGSetBlockSize - Sets the block size of the LOBPCG method. | ||
415 | |||
416 | Logically Collective | ||
417 | |||
418 | Input Parameters: | ||
419 | + eps - the eigenproblem solver context | ||
420 | - bs - the block size | ||
421 | |||
422 | Options Database Key: | ||
423 | . -eps_lobpcg_blocksize - Sets the block size | ||
424 | |||
425 | Level: advanced | ||
426 | |||
427 | .seealso: EPSLOBPCGGetBlockSize() | ||
428 | @*/ | ||
429 | 80 | PetscErrorCode EPSLOBPCGSetBlockSize(EPS eps,PetscInt bs) | |
430 | { | ||
431 |
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80 | PetscFunctionBegin; |
432 |
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80 | PetscValidHeaderSpecific(eps,EPS_CLASSID,1); |
433 |
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80 | PetscValidLogicalCollectiveInt(eps,bs,2); |
434 |
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80 | PetscTryMethod(eps,"EPSLOBPCGSetBlockSize_C",(EPS,PetscInt),(eps,bs)); |
435 |
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80 | PetscFunctionReturn(PETSC_SUCCESS); |
436 | } | ||
437 | |||
438 | 14 | static PetscErrorCode EPSLOBPCGGetBlockSize_LOBPCG(EPS eps,PetscInt *bs) | |
439 | { | ||
440 | 14 | EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data; | |
441 | |||
442 |
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14 | PetscFunctionBegin; |
443 | 14 | *bs = ctx->bs; | |
444 |
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14 | PetscFunctionReturn(PETSC_SUCCESS); |
445 | } | ||
446 | |||
447 | /*@ | ||
448 | EPSLOBPCGGetBlockSize - Gets the block size used in the LOBPCG method. | ||
449 | |||
450 | Not Collective | ||
451 | |||
452 | Input Parameter: | ||
453 | . eps - the eigenproblem solver context | ||
454 | |||
455 | Output Parameter: | ||
456 | . bs - the block size | ||
457 | |||
458 | Level: advanced | ||
459 | |||
460 | .seealso: EPSLOBPCGSetBlockSize() | ||
461 | @*/ | ||
462 | 14 | PetscErrorCode EPSLOBPCGGetBlockSize(EPS eps,PetscInt *bs) | |
463 | { | ||
464 |
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14 | PetscFunctionBegin; |
465 |
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14 | PetscValidHeaderSpecific(eps,EPS_CLASSID,1); |
466 |
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14 | PetscAssertPointer(bs,2); |
467 |
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14 | PetscUseMethod(eps,"EPSLOBPCGGetBlockSize_C",(EPS,PetscInt*),(eps,bs)); |
468 |
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14 | PetscFunctionReturn(PETSC_SUCCESS); |
469 | } | ||
470 | |||
471 | 14 | static PetscErrorCode EPSLOBPCGSetRestart_LOBPCG(EPS eps,PetscReal restart) | |
472 | { | ||
473 | 14 | EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data; | |
474 | |||
475 |
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14 | PetscFunctionBegin; |
476 |
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14 | if (restart==(PetscReal)PETSC_DEFAULT || restart==(PetscReal)PETSC_DECIDE) restart = 0.9; |
477 |
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14 | PetscCheck(restart>=0.1 && restart<=1.0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The restart argument %g must be in the range [0.1,1.0]",(double)restart); |
478 |
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14 | if (restart != ctx->restart) { |
479 | 14 | ctx->restart = restart; | |
480 | 14 | eps->state = EPS_STATE_INITIAL; | |
481 | } | ||
482 |
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2 | PetscFunctionReturn(PETSC_SUCCESS); |
483 | } | ||
484 | |||
485 | /*@ | ||
486 | EPSLOBPCGSetRestart - Sets the restart parameter for the LOBPCG method. | ||
487 | |||
488 | Logically Collective | ||
489 | |||
490 | Input Parameters: | ||
491 | + eps - the eigenproblem solver context | ||
492 | - restart - the percentage of the block of vectors to force a restart | ||
493 | |||
494 | Options Database Key: | ||
495 | . -eps_lobpcg_restart - Sets the restart parameter | ||
496 | |||
497 | Notes: | ||
498 | The meaning of this parameter is the proportion of vectors within the | ||
499 | current block iterate that must have converged in order to force a | ||
500 | restart with hard locking. | ||
501 | Allowed values are in the range [0.1,1.0]. The default is 0.9. | ||
502 | |||
503 | Level: advanced | ||
504 | |||
505 | .seealso: EPSLOBPCGGetRestart() | ||
506 | @*/ | ||
507 | 14 | PetscErrorCode EPSLOBPCGSetRestart(EPS eps,PetscReal restart) | |
508 | { | ||
509 |
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14 | PetscFunctionBegin; |
510 |
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14 | PetscValidHeaderSpecific(eps,EPS_CLASSID,1); |
511 |
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14 | PetscValidLogicalCollectiveReal(eps,restart,2); |
512 |
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14 | PetscTryMethod(eps,"EPSLOBPCGSetRestart_C",(EPS,PetscReal),(eps,restart)); |
513 |
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14 | PetscFunctionReturn(PETSC_SUCCESS); |
514 | } | ||
515 | |||
516 | 14 | static PetscErrorCode EPSLOBPCGGetRestart_LOBPCG(EPS eps,PetscReal *restart) | |
517 | { | ||
518 | 14 | EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data; | |
519 | |||
520 |
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14 | PetscFunctionBegin; |
521 | 14 | *restart = ctx->restart; | |
522 |
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14 | PetscFunctionReturn(PETSC_SUCCESS); |
523 | } | ||
524 | |||
525 | /*@ | ||
526 | EPSLOBPCGGetRestart - Gets the restart parameter used in the LOBPCG method. | ||
527 | |||
528 | Not Collective | ||
529 | |||
530 | Input Parameter: | ||
531 | . eps - the eigenproblem solver context | ||
532 | |||
533 | Output Parameter: | ||
534 | . restart - the restart parameter | ||
535 | |||
536 | Level: advanced | ||
537 | |||
538 | .seealso: EPSLOBPCGSetRestart() | ||
539 | @*/ | ||
540 | 14 | PetscErrorCode EPSLOBPCGGetRestart(EPS eps,PetscReal *restart) | |
541 | { | ||
542 |
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14 | PetscFunctionBegin; |
543 |
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14 | PetscValidHeaderSpecific(eps,EPS_CLASSID,1); |
544 |
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14 | PetscAssertPointer(restart,2); |
545 |
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14 | PetscUseMethod(eps,"EPSLOBPCGGetRestart_C",(EPS,PetscReal*),(eps,restart)); |
546 |
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14 | PetscFunctionReturn(PETSC_SUCCESS); |
547 | } | ||
548 | |||
549 | 10 | static PetscErrorCode EPSLOBPCGSetLocking_LOBPCG(EPS eps,PetscBool lock) | |
550 | { | ||
551 | 10 | EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data; | |
552 | |||
553 |
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10 | PetscFunctionBegin; |
554 | 10 | ctx->lock = lock; | |
555 |
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10 | PetscFunctionReturn(PETSC_SUCCESS); |
556 | } | ||
557 | |||
558 | /*@ | ||
559 | EPSLOBPCGSetLocking - Choose between locking and non-locking variants of | ||
560 | the LOBPCG method. | ||
561 | |||
562 | Logically Collective | ||
563 | |||
564 | Input Parameters: | ||
565 | + eps - the eigenproblem solver context | ||
566 | - lock - true if the locking variant must be selected | ||
567 | |||
568 | Options Database Key: | ||
569 | . -eps_lobpcg_locking - Sets the locking flag | ||
570 | |||
571 | Notes: | ||
572 | This flag refers to soft locking (converged vectors within the current | ||
573 | block iterate), since hard locking is always used (when nev is larger | ||
574 | than the block size). | ||
575 | |||
576 | Level: advanced | ||
577 | |||
578 | .seealso: EPSLOBPCGGetLocking() | ||
579 | @*/ | ||
580 | 10 | PetscErrorCode EPSLOBPCGSetLocking(EPS eps,PetscBool lock) | |
581 | { | ||
582 |
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10 | PetscFunctionBegin; |
583 |
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10 | PetscValidHeaderSpecific(eps,EPS_CLASSID,1); |
584 |
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10 | PetscValidLogicalCollectiveBool(eps,lock,2); |
585 |
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10 | PetscTryMethod(eps,"EPSLOBPCGSetLocking_C",(EPS,PetscBool),(eps,lock)); |
586 |
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10 | PetscFunctionReturn(PETSC_SUCCESS); |
587 | } | ||
588 | |||
589 | 14 | static PetscErrorCode EPSLOBPCGGetLocking_LOBPCG(EPS eps,PetscBool *lock) | |
590 | { | ||
591 | 14 | EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data; | |
592 | |||
593 |
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14 | PetscFunctionBegin; |
594 | 14 | *lock = ctx->lock; | |
595 |
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14 | PetscFunctionReturn(PETSC_SUCCESS); |
596 | } | ||
597 | |||
598 | /*@ | ||
599 | EPSLOBPCGGetLocking - Gets the locking flag used in the LOBPCG method. | ||
600 | |||
601 | Not Collective | ||
602 | |||
603 | Input Parameter: | ||
604 | . eps - the eigenproblem solver context | ||
605 | |||
606 | Output Parameter: | ||
607 | . lock - the locking flag | ||
608 | |||
609 | Level: advanced | ||
610 | |||
611 | .seealso: EPSLOBPCGSetLocking() | ||
612 | @*/ | ||
613 | 14 | PetscErrorCode EPSLOBPCGGetLocking(EPS eps,PetscBool *lock) | |
614 | { | ||
615 |
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14 | PetscFunctionBegin; |
616 |
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14 | PetscValidHeaderSpecific(eps,EPS_CLASSID,1); |
617 |
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14 | PetscAssertPointer(lock,2); |
618 |
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14 | PetscUseMethod(eps,"EPSLOBPCGGetLocking_C",(EPS,PetscBool*),(eps,lock)); |
619 |
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14 | PetscFunctionReturn(PETSC_SUCCESS); |
620 | } | ||
621 | |||
622 | ✗ | static PetscErrorCode EPSView_LOBPCG(EPS eps,PetscViewer viewer) | |
623 | { | ||
624 | ✗ | EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data; | |
625 | ✗ | PetscBool isascii; | |
626 | |||
627 | ✗ | PetscFunctionBegin; | |
628 | ✗ | PetscCall(PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii)); | |
629 | ✗ | if (isascii) { | |
630 | ✗ | PetscCall(PetscViewerASCIIPrintf(viewer," block size %" PetscInt_FMT "\n",ctx->bs)); | |
631 | ✗ | PetscCall(PetscViewerASCIIPrintf(viewer," restart parameter=%g (using %" PetscInt_FMT " guard vectors)\n",(double)ctx->restart,ctx->guard)); | |
632 | ✗ | PetscCall(PetscViewerASCIIPrintf(viewer," soft locking %sactivated\n",ctx->lock?"":"de")); | |
633 | } | ||
634 | ✗ | PetscFunctionReturn(PETSC_SUCCESS); | |
635 | } | ||
636 | |||
637 | 224 | static PetscErrorCode EPSSetFromOptions_LOBPCG(EPS eps,PetscOptionItems PetscOptionsObject) | |
638 | { | ||
639 | 224 | PetscBool lock,flg; | |
640 | 224 | PetscInt bs; | |
641 | 224 | PetscReal restart; | |
642 | |||
643 |
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224 | PetscFunctionBegin; |
644 |
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224 | PetscOptionsHeadBegin(PetscOptionsObject,"EPS LOBPCG Options"); |
645 | |||
646 |
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224 | PetscCall(PetscOptionsInt("-eps_lobpcg_blocksize","Block size","EPSLOBPCGSetBlockSize",20,&bs,&flg)); |
647 |
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224 | if (flg) PetscCall(EPSLOBPCGSetBlockSize(eps,bs)); |
648 | |||
649 |
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224 | PetscCall(PetscOptionsReal("-eps_lobpcg_restart","Percentage of the block of vectors to force a restart","EPSLOBPCGSetRestart",0.5,&restart,&flg)); |
650 |
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224 | if (flg) PetscCall(EPSLOBPCGSetRestart(eps,restart)); |
651 | |||
652 |
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224 | PetscCall(PetscOptionsBool("-eps_lobpcg_locking","Choose between locking and non-locking variants","EPSLOBPCGSetLocking",PETSC_TRUE,&lock,&flg)); |
653 |
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224 | if (flg) PetscCall(EPSLOBPCGSetLocking(eps,lock)); |
654 | |||
655 |
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224 | PetscOptionsHeadEnd(); |
656 |
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46 | PetscFunctionReturn(PETSC_SUCCESS); |
657 | } | ||
658 | |||
659 | 224 | static PetscErrorCode EPSDestroy_LOBPCG(EPS eps) | |
660 | { | ||
661 |
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224 | PetscFunctionBegin; |
662 |
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224 | PetscCall(PetscFree(eps->data)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetBlockSize_C",NULL)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetBlockSize_C",NULL)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetRestart_C",NULL)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetRestart_C",NULL)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetLocking_C",NULL)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetLocking_C",NULL)); |
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46 | PetscFunctionReturn(PETSC_SUCCESS); |
670 | } | ||
671 | |||
672 | 224 | SLEPC_EXTERN PetscErrorCode EPSCreate_LOBPCG(EPS eps) | |
673 | { | ||
674 | 224 | EPS_LOBPCG *lobpcg; | |
675 | |||
676 |
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224 | PetscFunctionBegin; |
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224 | PetscCall(PetscNew(&lobpcg)); |
678 | 224 | eps->data = (void*)lobpcg; | |
679 | 224 | lobpcg->lock = PETSC_TRUE; | |
680 | |||
681 | 224 | eps->useds = PETSC_TRUE; | |
682 | 224 | eps->categ = EPS_CATEGORY_PRECOND; | |
683 | |||
684 | 224 | eps->ops->solve = EPSSolve_LOBPCG; | |
685 | 224 | eps->ops->setup = EPSSetUp_LOBPCG; | |
686 | 224 | eps->ops->setupsort = EPSSetUpSort_Default; | |
687 | 224 | eps->ops->setfromoptions = EPSSetFromOptions_LOBPCG; | |
688 | 224 | eps->ops->destroy = EPSDestroy_LOBPCG; | |
689 | 224 | eps->ops->view = EPSView_LOBPCG; | |
690 | 224 | eps->ops->backtransform = EPSBackTransform_Default; | |
691 | 224 | eps->ops->setdefaultst = EPSSetDefaultST_GMRES; | |
692 | |||
693 |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetBlockSize_C",EPSLOBPCGSetBlockSize_LOBPCG)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetBlockSize_C",EPSLOBPCGGetBlockSize_LOBPCG)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetRestart_C",EPSLOBPCGSetRestart_LOBPCG)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetRestart_C",EPSLOBPCGGetRestart_LOBPCG)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetLocking_C",EPSLOBPCGSetLocking_LOBPCG)); |
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224 | PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetLocking_C",EPSLOBPCGGetLocking_LOBPCG)); |
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46 | PetscFunctionReturn(PETSC_SUCCESS); |
700 | } | ||
701 |