| Line | Branch | Exec | Source |
|---|---|---|---|
| 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: "krylovschur" | ||
| 12 | |||
| 13 | Method: thick-restarted Lanczos for Bethe-Salpeter pseudo-Hermitan matrices | ||
| 14 | |||
| 15 | References: | ||
| 16 | |||
| 17 | [1] M. Shao et al, "A structure preserving Lanczos algorithm for computing | ||
| 18 | the optical absorption spectrum", SIAM J. Matrix Anal. App. 39(2), 2018. | ||
| 19 | |||
| 20 | [2] F. Alvarruiz, B. Mellado-Pinto, J. E. Roman, "Variants of thick-restart | ||
| 21 | Lanczos for the Bethe-Salpeter eigenvalue problem", arXiv:2503.20920, | ||
| 22 | 2025. | ||
| 23 | |||
| 24 | */ | ||
| 25 | #include <slepc/private/epsimpl.h> | ||
| 26 | #include "krylovschur.h" | ||
| 27 | |||
| 28 | static PetscBool cited = PETSC_FALSE; | ||
| 29 | static const char citation[] = | ||
| 30 | "@Misc{slepc-bse,\n" | ||
| 31 | " author = \"F. Alvarruiz and B. Mellado-Pinto and J. E. Roman\",\n" | ||
| 32 | " title = \"Variants of thick-restart {Lanczos} for the {Bethe--Salpeter} eigenvalue problem\",\n" | ||
| 33 | " eprint = \"2503.20920\",\n" | ||
| 34 | " archivePrefix = \"arXiv\",\n" | ||
| 35 | " primaryClass = \"mathematics.numerical analysis\",\n" | ||
| 36 | " year = \"2025,\"\n" | ||
| 37 | " doi = \"https://doi.org/10.48550/arXiv.2503.20920\"\n" | ||
| 38 | "}\n"; | ||
| 39 | |||
| 40 | 16192 | static PetscErrorCode Orthog_Shao(Vec x,BV U,BV V,PetscInt j,PetscScalar *h,PetscScalar *c) | |
| 41 | { | ||
| 42 | 16192 | PetscInt i; | |
| 43 | |||
| 44 |
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16192 | PetscFunctionBegin; |
| 45 |
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16192 | PetscCall(BVSetActiveColumns(U,0,j)); |
| 46 |
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16192 | PetscCall(BVSetActiveColumns(V,0,j)); |
| 47 | /* c = real(V^* x) ; c2 = imag(U^* x)*1i */ | ||
| 48 | #if defined(PETSC_USE_COMPLEX) | ||
| 49 |
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10183 | PetscCall(BVDotVecBegin(V,x,c)); |
| 50 |
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10183 | PetscCall(BVDotVecBegin(U,x,c+j)); |
| 51 |
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10183 | PetscCall(BVDotVecEnd(V,x,c)); |
| 52 |
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10183 | PetscCall(BVDotVecEnd(U,x,c+j)); |
| 53 | #else | ||
| 54 |
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6009 | PetscCall(BVDotVec(V,x,c)); |
| 55 | #endif | ||
| 56 | #if defined(PETSC_USE_COMPLEX) | ||
| 57 |
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133081 | for (i=0; i<j; i++) { |
| 58 | 122898 | c[i] = PetscRealPart(c[i]); | |
| 59 | 122898 | c[j+i] = PetscCMPLX(0.0,PetscImaginaryPart(c[j+i])); | |
| 60 | } | ||
| 61 | #endif | ||
| 62 | /* x = x-U*c-V*c2 */ | ||
| 63 |
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16192 | PetscCall(BVMultVec(U,-1.0,1.0,x,c)); |
| 64 | #if defined(PETSC_USE_COMPLEX) | ||
| 65 |
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10183 | PetscCall(BVMultVec(V,-1.0,1.0,x,c+j)); |
| 66 | #endif | ||
| 67 | /* accumulate orthog coeffs into h */ | ||
| 68 |
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397462 | for (i=0; i<2*j; i++) h[i] += c[i]; |
| 69 |
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2949 | PetscFunctionReturn(PETSC_SUCCESS); |
| 70 | } | ||
| 71 | |||
| 72 | /* Orthogonalize vector x against first j vectors in U and V | ||
| 73 | v is column j-1 of V */ | ||
| 74 | 16192 | static PetscErrorCode OrthogonalizeVector_Shao(Vec x,BV U,BV V,PetscInt j,Vec v,PetscReal *beta,PetscInt k,PetscScalar *h) | |
| 75 | { | ||
| 76 | 16192 | PetscReal alpha; | |
| 77 | 16192 | PetscInt i,l; | |
| 78 | |||
| 79 |
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16192 | PetscFunctionBegin; |
| 80 |
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16192 | PetscCall(PetscArrayzero(h,2*j)); |
| 81 | |||
| 82 | /* Local orthogonalization */ | ||
| 83 |
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16192 | l = j==k+1?0:j-2; /* 1st column to orthogonalize against */ |
| 84 |
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16192 | PetscCall(VecDotRealPart(x,v,&alpha)); |
| 85 |
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50450 | for (i=l; i<j-1; i++) h[i] = beta[i]; |
| 86 | 16192 | h[j-1] = alpha; | |
| 87 | /* x = x-U(:,l:j-1)*h(l:j-1) */ | ||
| 88 |
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16192 | PetscCall(BVSetActiveColumns(U,l,j)); |
| 89 |
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16192 | PetscCall(BVMultVec(U,-1.0,1.0,x,h+l)); |
| 90 | |||
| 91 | /* Full orthogonalization */ | ||
| 92 |
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16192 | PetscCall(Orthog_Shao(x,U,V,j,h,h+2*j)); |
| 93 |
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2949 | PetscFunctionReturn(PETSC_SUCCESS); |
| 94 | } | ||
| 95 | |||
| 96 | 2552 | static PetscErrorCode EPSBSELanczos_Shao(EPS eps,BV U,BV V,PetscReal *alpha,PetscReal *beta,PetscInt k,PetscInt *M,PetscBool *breakdown) | |
| 97 | { | ||
| 98 | 2552 | PetscInt j,m = *M; | |
| 99 | 2552 | Vec v,x,y,w,f,g,vecs[2]; | |
| 100 | 2552 | Mat H; | |
| 101 | 2552 | IS is[2]; | |
| 102 | 2552 | PetscReal nrm; | |
| 103 | 2552 | PetscScalar *hwork,lhwork[100],gamma; | |
| 104 | 2552 | PetscBool alloc=PETSC_FALSE; | |
| 105 | 2552 | PetscContainer container; | |
| 106 | 2552 | SlepcMatStruct mctx; | |
| 107 | |||
| 108 |
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2552 | PetscFunctionBegin; |
| 109 |
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2552 | if (4*m > 100) { |
| 110 | ✗ | PetscCall(PetscMalloc1(4*m,&hwork)); | |
| 111 | alloc = PETSC_TRUE; | ||
| 112 | 2552 | } else hwork = lhwork; | |
| 113 |
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2552 | PetscCall(STGetMatrix(eps->st,0,&H)); |
| 114 |
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2552 | PetscCall(MatNestGetISs(H,is,NULL)); |
| 115 |
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2552 | PetscCall(PetscObjectQuery((PetscObject)H,"SlepcMatStruct",(PetscObject*)&container)); |
| 116 |
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2552 | PetscCall(PetscContainerGetPointer(container,(void**)&mctx)); |
| 117 | |||
| 118 | /* create work vectors */ | ||
| 119 |
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2552 | PetscCall(BVGetColumn(V,0,&v)); |
| 120 |
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2552 | PetscCall(VecDuplicate(v,&w)); |
| 121 | 2552 | vecs[0] = v; | |
| 122 | 2552 | vecs[1] = w; | |
| 123 |
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2552 | PetscCall(VecCreateNest(PetscObjectComm((PetscObject)eps),2,is,vecs,&f)); |
| 124 |
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2552 | PetscCall(VecCreateNest(PetscObjectComm((PetscObject)eps),2,is,vecs,&g)); |
| 125 |
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2552 | PetscCall(BVRestoreColumn(V,0,&v)); |
| 126 | |||
| 127 | /* Normalize initial vector */ | ||
| 128 |
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2552 | if (k==0) { |
| 129 |
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175 | if (eps->nini==0) PetscCall(BVSetRandomColumn(eps->V,0)); |
| 130 |
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175 | PetscCall(BVGetColumn(U,0,&x)); |
| 131 |
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175 | PetscCall(BVGetColumn(V,0,&y)); |
| 132 |
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175 | PetscCall(VecNestSetSubVec(f,0,x)); |
| 133 |
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175 | PetscCall(VecNestSetSubVec(g,0,y)); |
| 134 | 175 | mctx->s = 1.0; | |
| 135 |
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175 | PetscCall(STApply(eps->st,f,g)); |
| 136 |
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175 | PetscCall(VecDot(y,x,&gamma)); |
| 137 | 175 | nrm = PetscSqrtReal(PetscRealPart(gamma)); | |
| 138 |
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175 | if (nrm==0.0) { |
| 139 | ✗ | if (breakdown) *breakdown = PETSC_TRUE; | |
| 140 | ✗ | *M = 1; m = 0; | |
| 141 | } else { | ||
| 142 |
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175 | PetscCall(VecScale(x,1.0/nrm)); |
| 143 |
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175 | PetscCall(VecScale(y,1.0/nrm)); |
| 144 | } | ||
| 145 |
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175 | PetscCall(BVRestoreColumn(U,0,&x)); |
| 146 |
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175 | PetscCall(BVRestoreColumn(V,0,&y)); |
| 147 | } | ||
| 148 | |||
| 149 |
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18744 | for (j=k;j<m;j++) { |
| 150 | /* j+1 columns (indexes 0 to j) have been computed */ | ||
| 151 |
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16192 | PetscCall(BVGetColumn(V,j,&v)); |
| 152 |
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16192 | PetscCall(BVGetColumn(U,j+1,&x)); |
| 153 |
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16192 | PetscCall(BVGetColumn(V,j+1,&y)); |
| 154 |
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16192 | PetscCall(VecNestSetSubVec(f,0,v)); |
| 155 |
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16192 | PetscCall(VecNestSetSubVec(g,0,x)); |
| 156 | 16192 | mctx->s = -1.0; | |
| 157 |
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16192 | PetscCall(STApply(eps->st,f,g)); |
| 158 |
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16192 | PetscCall(OrthogonalizeVector_Shao(x,U,V,j+1,v,beta,k,hwork)); |
| 159 | 16192 | alpha[j] = PetscRealPart(hwork[j]); | |
| 160 |
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16192 | PetscCall(VecNestSetSubVec(f,0,x)); |
| 161 |
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16192 | PetscCall(VecNestSetSubVec(g,0,y)); |
| 162 | 16192 | mctx->s = 1.0; | |
| 163 |
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16192 | PetscCall(STApply(eps->st,f,g)); |
| 164 |
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16192 | PetscCall(VecDot(x,y,&gamma)); |
| 165 | 16192 | beta[j] = PetscSqrtReal(PetscRealPart(gamma)); | |
| 166 |
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16192 | if (beta[j]==0.0) { |
| 167 | ✗ | if (breakdown) *breakdown = PETSC_TRUE; | |
| 168 | ✗ | *M = j+1; m = j; | |
| 169 | } else { | ||
| 170 |
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16192 | PetscCall(VecScale(x,1.0/beta[j])); |
| 171 |
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16192 | PetscCall(VecScale(y,1.0/beta[j])); |
| 172 | } | ||
| 173 |
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16192 | PetscCall(BVRestoreColumn(V,j,&v)); |
| 174 |
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16192 | PetscCall(BVRestoreColumn(U,j+1,&x)); |
| 175 |
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16192 | PetscCall(BVRestoreColumn(V,j+1,&y)); |
| 176 | } | ||
| 177 |
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2552 | if (alloc) PetscCall(PetscFree(hwork)); |
| 178 |
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2552 | PetscCall(VecDestroy(&w)); |
| 179 |
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2552 | PetscCall(VecDestroy(&f)); |
| 180 |
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2552 | PetscCall(VecDestroy(&g)); |
| 181 |
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|
485 | PetscFunctionReturn(PETSC_SUCCESS); |
| 182 | } | ||
| 183 | |||
| 184 | 175 | static PetscErrorCode EPSComputeVectors_BSE_Shao(EPS eps) | |
| 185 | { | ||
| 186 | 175 | Mat H; | |
| 187 | 175 | Vec u1,v1; | |
| 188 | 175 | BV U,V; | |
| 189 | 175 | IS is[2]; | |
| 190 | 175 | PetscInt k; | |
| 191 | 175 | PetscScalar lambda; | |
| 192 | |||
| 193 |
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175 | PetscFunctionBegin; |
| 194 |
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175 | PetscCall(STGetMatrix(eps->st,0,&H)); |
| 195 |
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175 | PetscCall(MatNestGetISs(H,is,NULL)); |
| 196 |
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175 | PetscCall(BVGetSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 197 |
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1305 | for (k=0; k<eps->nconv; k++) { |
| 198 |
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1130 | PetscCall(BVGetColumn(U,k,&u1)); |
| 199 |
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1130 | PetscCall(BVGetColumn(V,k,&v1)); |
| 200 | /* approx eigenvector is [ (eigr[k]*u1+v1)] | ||
| 201 | [conj(eigr[k]*u1-v1)] */ | ||
| 202 | 1130 | lambda = eps->eigr[k]; | |
| 203 |
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1130 | PetscCall(STBackTransform(eps->st,1,&lambda,&eps->eigi[k])); |
| 204 |
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1130 | PetscCall(VecAYPX(u1,lambda,v1)); |
| 205 |
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1130 | PetscCall(VecAYPX(v1,-2.0,u1)); |
| 206 |
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1130 | PetscCall(VecConjugate(v1)); |
| 207 |
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1130 | PetscCall(BVRestoreColumn(U,k,&u1)); |
| 208 |
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1130 | PetscCall(BVRestoreColumn(V,k,&v1)); |
| 209 | } | ||
| 210 |
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175 | PetscCall(BVRestoreSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 211 | /* Normalize eigenvectors */ | ||
| 212 |
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175 | PetscCall(BVSetActiveColumns(eps->V,0,eps->nconv)); |
| 213 |
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175 | PetscCall(BVNormalize(eps->V,NULL)); |
| 214 |
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27 | PetscFunctionReturn(PETSC_SUCCESS); |
| 215 | } | ||
| 216 | |||
| 217 | 15649 | static PetscErrorCode Orthog_Gruning(Vec x,BV U,BV V,BV HU,BV HV,PetscInt j,PetscScalar *h,PetscScalar *c) | |
| 218 | { | ||
| 219 | 15649 | PetscInt i; | |
| 220 | |||
| 221 |
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15649 | PetscFunctionBegin; |
| 222 |
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15649 | PetscCall(BVSetActiveColumns(U,0,j)); |
| 223 |
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15649 | PetscCall(BVSetActiveColumns(HU,0,j)); |
| 224 |
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15649 | PetscCall(BVSetActiveColumns(V,0,j)); |
| 225 |
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15649 | PetscCall(BVSetActiveColumns(HV,0,j)); |
| 226 | #if defined(PETSC_USE_COMPLEX) | ||
| 227 |
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10003 | PetscCall(BVDotVecBegin(HU,x,c)); |
| 228 |
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10003 | PetscCall(BVDotVecBegin(HV,x,c+j)); |
| 229 |
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10003 | PetscCall(BVDotVecEnd(HU,x,c)); |
| 230 |
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10003 | PetscCall(BVDotVecEnd(HV,x,c+j)); |
| 231 | #else | ||
| 232 |
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5646 | PetscCall(BVDotVec(HU,x,c)); |
| 233 | #endif | ||
| 234 |
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198877 | for (i=0; i<j; i++) { |
| 235 | /* c1 = 2*real(HU^* x) ; c2 = 2*imag(HV^* x)*1i */ | ||
| 236 | #if defined(PETSC_USE_COMPLEX) | ||
| 237 | 120143 | c[i] = PetscRealPart(c[i]); | |
| 238 | 120143 | c[j+i] = PetscCMPLX(0.0,PetscImaginaryPart(c[j+i])); | |
| 239 | #else | ||
| 240 | 63085 | c[j+i] = 0.0; | |
| 241 | #endif | ||
| 242 | } | ||
| 243 | /* x = x-U*c1-V*c2 */ | ||
| 244 | #if defined(PETSC_USE_COMPLEX) | ||
| 245 |
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10003 | PetscCall(BVMultVec(U,-2.0,1.0,x,c)); |
| 246 |
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10003 | PetscCall(BVMultVec(V,-2.0,1.0,x,c+j)); |
| 247 | #else | ||
| 248 |
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5646 | PetscCall(BVMultVec(U,-2.0,1.0,x,c)); |
| 249 | #endif | ||
| 250 | /* accumulate orthog coeffs into h */ | ||
| 251 |
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382105 | for (i=0; i<2*j; i++) h[i] += 2*c[i]; |
| 252 |
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2883 | PetscFunctionReturn(PETSC_SUCCESS); |
| 253 | } | ||
| 254 | |||
| 255 | /* Orthogonalize vector x against first j vectors in U and V */ | ||
| 256 | 31298 | static PetscErrorCode OrthogonalizeVector_Gruning(Vec x,BV U,BV V,BV HU,BV HV,PetscInt j,PetscReal *beta,PetscInt k,PetscScalar *h,PetscBool s) | |
| 257 | { | ||
| 258 | 31298 | PetscInt l,i; | |
| 259 | 31298 | Vec u; | |
| 260 | |||
| 261 |
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31298 | PetscFunctionBegin; |
| 262 |
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31298 | PetscCall(PetscArrayzero(h,4*j)); |
| 263 | |||
| 264 |
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31298 | if (s) { |
| 265 | /* Local orthogonalization */ | ||
| 266 |
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15649 | PetscCall(BVGetColumn(U,j-1,&u)); |
| 267 |
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15649 | PetscCall(VecAXPY(x,-*beta,u)); |
| 268 |
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15649 | PetscCall(BVRestoreColumn(U,j-1,&u)); |
| 269 | 15649 | h[j-1] = *beta; | |
| 270 | /* Full orthogonalization */ | ||
| 271 |
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15649 | PetscCall(Orthog_Gruning(x,U,V,HU,HV,j,h,h+2*j)); |
| 272 | } else { | ||
| 273 | /* Local orthogonalization */ | ||
| 274 |
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15649 | l = j==k+1?0:j-2; /* 1st column to orthogonalize against */ |
| 275 |
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48742 | for (i=l; i<j-1; i++) h[j+i] = beta[i]; |
| 276 | /* x = x-V(:,l:j-2)*h(l:j-2) */ | ||
| 277 |
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15649 | PetscCall(BVSetActiveColumns(V,l,j-1)); |
| 278 |
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15649 | PetscCall(BVMultVec(V,-1.0,1.0,x,h+j+l)); |
| 279 | } | ||
| 280 |
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5766 | PetscFunctionReturn(PETSC_SUCCESS); |
| 281 | } | ||
| 282 | |||
| 283 | 2479 | static PetscErrorCode EPSBSELanczos_Gruning(EPS eps,BV U,BV V,BV HU,BV HV,PetscReal *beta1,PetscReal *beta2,PetscInt k,PetscInt *M,PetscBool *breakdown) | |
| 284 | { | ||
| 285 | 2479 | PetscInt j,m = *M; | |
| 286 | 2479 | Vec v,x,y,w,f,g,vecs[2]; | |
| 287 | 2479 | Mat H; | |
| 288 | 2479 | IS is[2]; | |
| 289 | 2479 | PetscReal nrm; | |
| 290 | 2479 | PetscScalar *hwork,lhwork[100],dot; | |
| 291 | 2479 | PetscBool alloc=PETSC_FALSE; | |
| 292 | 2479 | PetscContainer container; | |
| 293 | 2479 | SlepcMatStruct mctx; | |
| 294 | |||
| 295 |
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2479 | PetscFunctionBegin; |
| 296 |
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2479 | if (4*m > 100) { |
| 297 | ✗ | PetscCall(PetscMalloc1(4*m,&hwork)); | |
| 298 | alloc = PETSC_TRUE; | ||
| 299 | 2479 | } else hwork = lhwork; | |
| 300 |
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2479 | PetscCall(STGetMatrix(eps->st,0,&H)); |
| 301 |
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2479 | PetscCall(MatNestGetISs(H,is,NULL)); |
| 302 |
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2479 | PetscCall(PetscObjectQuery((PetscObject)H,"SlepcMatStruct",(PetscObject*)&container)); |
| 303 |
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2479 | PetscCall(PetscContainerGetPointer(container,(void**)&mctx)); |
| 304 | |||
| 305 | /* create work vectors */ | ||
| 306 |
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2479 | PetscCall(BVGetColumn(V,0,&v)); |
| 307 |
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2479 | PetscCall(VecDuplicate(v,&w)); |
| 308 | 2479 | vecs[0] = v; | |
| 309 | 2479 | vecs[1] = w; | |
| 310 |
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2479 | PetscCall(VecCreateNest(PetscObjectComm((PetscObject)eps),2,is,vecs,&f)); |
| 311 |
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2479 | PetscCall(VecCreateNest(PetscObjectComm((PetscObject)eps),2,is,vecs,&g)); |
| 312 |
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2479 | PetscCall(BVRestoreColumn(V,0,&v)); |
| 313 | |||
| 314 | /* Normalize initial vector */ | ||
| 315 |
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2479 | if (k==0) { |
| 316 |
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170 | if (eps->nini==0) PetscCall(BVSetRandomColumn(eps->V,0)); |
| 317 | /* y = Hmult(v1,1) */ | ||
| 318 |
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170 | PetscCall(BVGetColumn(U,k,&x)); |
| 319 |
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170 | PetscCall(BVGetColumn(HU,k,&y)); |
| 320 |
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170 | PetscCall(VecNestSetSubVec(f,0,x)); |
| 321 |
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170 | PetscCall(VecNestSetSubVec(g,0,y)); |
| 322 | 170 | mctx->s = 1.0; | |
| 323 |
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170 | PetscCall(STApply(eps->st,f,g)); |
| 324 | /* nrm = sqrt(2*real(u1'*y)); */ | ||
| 325 |
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170 | PetscCall(VecDot(x,y,&dot)); |
| 326 | 170 | nrm = PetscSqrtReal(PetscRealPart(2*dot)); | |
| 327 |
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170 | if (nrm==0.0) { |
| 328 | ✗ | if (breakdown) *breakdown = PETSC_TRUE; | |
| 329 | ✗ | *M = 1; m = 0; | |
| 330 | } else { | ||
| 331 | /* U(:,j) = u1/nrm; */ | ||
| 332 | /* HU(:,j) = y/nrm; */ | ||
| 333 |
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170 | PetscCall(VecScale(x,1.0/nrm)); |
| 334 |
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170 | PetscCall(VecScale(y,1.0/nrm)); |
| 335 | } | ||
| 336 |
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170 | PetscCall(BVRestoreColumn(U,k,&x)); |
| 337 |
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170 | PetscCall(BVRestoreColumn(HU,k,&y)); |
| 338 | } | ||
| 339 | |||
| 340 |
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18128 | for (j=k;j<m;j++) { |
| 341 | /* j+1 columns (indexes 0 to j) have been computed */ | ||
| 342 |
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15649 | PetscCall(BVGetColumn(HU,j,&x)); |
| 343 |
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15649 | PetscCall(BVGetColumn(V,j,&v)); |
| 344 |
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15649 | PetscCall(BVGetColumn(HV,j,&y)); |
| 345 |
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15649 | PetscCall(VecCopy(x,v)); |
| 346 |
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15649 | PetscCall(BVRestoreColumn(HU,j,&x)); |
| 347 | /* v = Orthogonalize HU(:,j) */ | ||
| 348 |
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15649 | PetscCall(OrthogonalizeVector_Gruning(v,U,V,HU,HV,j+1,beta2,k,hwork,PETSC_FALSE)); |
| 349 | /* y = Hmult(v,-1) */ | ||
| 350 |
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15649 | PetscCall(VecNestSetSubVec(f,0,v)); |
| 351 |
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15649 | PetscCall(VecNestSetSubVec(g,0,y)); |
| 352 | 15649 | mctx->s = -1.0; | |
| 353 |
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15649 | PetscCall(STApply(eps->st,f,g)); |
| 354 | /* beta = sqrt(2*real(v'*y)); */ | ||
| 355 |
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15649 | PetscCall(VecDot(v,y,&dot)); |
| 356 | 15649 | beta1[j] = PetscSqrtReal(PetscRealPart(2*dot)); | |
| 357 |
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15649 | if (beta1[j]==0.0) { |
| 358 | ✗ | if (breakdown) *breakdown = PETSC_TRUE; | |
| 359 | ✗ | *M = j+1; m = j; | |
| 360 | } else { | ||
| 361 | /* V(:,j) = v/beta1; */ | ||
| 362 | /* HV(:,j) = y/beta1; */ | ||
| 363 |
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15649 | PetscCall(VecScale(v,1.0/beta1[j])); |
| 364 |
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15649 | PetscCall(VecScale(y,1.0/beta1[j])); |
| 365 | } | ||
| 366 |
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15649 | PetscCall(BVRestoreColumn(V,j,&v)); |
| 367 |
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15649 | PetscCall(BVRestoreColumn(HV,j,&y)); |
| 368 |
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15649 | if (breakdown && *breakdown) continue; |
| 369 | |||
| 370 |
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15649 | PetscCall(BVGetColumn(HV,j,&x)); |
| 371 |
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15649 | PetscCall(BVGetColumn(U,j+1,&v)); |
| 372 |
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15649 | PetscCall(BVGetColumn(HU,j+1,&y)); |
| 373 |
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15649 | PetscCall(VecCopy(x,v)); |
| 374 |
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15649 | PetscCall(BVRestoreColumn(HV,j,&x)); |
| 375 | /* v = Orthogonalize HV(:,j) */ | ||
| 376 |
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15649 | PetscCall(OrthogonalizeVector_Gruning(v,U,V,HU,HV,j+1,&beta1[j],k,hwork,PETSC_TRUE)); |
| 377 | /* y = Hmult(v,1) */ | ||
| 378 |
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15649 | PetscCall(VecNestSetSubVec(f,0,v)); |
| 379 |
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15649 | PetscCall(VecNestSetSubVec(g,0,y)); |
| 380 | 15649 | mctx->s = 1.0; | |
| 381 |
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15649 | PetscCall(STApply(eps->st,f,g)); |
| 382 | /* beta = sqrt(2*real(v'*y)); */ | ||
| 383 |
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15649 | PetscCall(VecDot(v,y,&dot)); |
| 384 | 15649 | beta2[j] = PetscSqrtReal(PetscRealPart(2*dot)); | |
| 385 |
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15649 | if (beta2[j]==0.0) { |
| 386 | ✗ | if (breakdown) *breakdown = PETSC_TRUE; | |
| 387 | ✗ | *M = j+1; m = j; | |
| 388 | } else { | ||
| 389 | /* U(:,j) = v/beta2; */ | ||
| 390 | /* HU(:,j) = y/beta2; */ | ||
| 391 |
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15649 | PetscCall(VecScale(v,1.0/beta2[j])); |
| 392 |
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15649 | PetscCall(VecScale(y,1.0/beta2[j])); |
| 393 | } | ||
| 394 |
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15649 | PetscCall(BVRestoreColumn(U,j+1,&v)); |
| 395 |
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15649 | PetscCall(BVRestoreColumn(HU,j+1,&y)); |
| 396 | } | ||
| 397 |
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2479 | if (alloc) PetscCall(PetscFree(hwork)); |
| 398 |
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2479 | PetscCall(VecDestroy(&w)); |
| 399 |
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2479 | PetscCall(VecDestroy(&f)); |
| 400 |
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2479 | PetscCall(VecDestroy(&g)); |
| 401 |
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479 | PetscFunctionReturn(PETSC_SUCCESS); |
| 402 | } | ||
| 403 | |||
| 404 | 170 | static PetscErrorCode EPSComputeVectors_BSE_Gruning(EPS eps) | |
| 405 | { | ||
| 406 | 170 | Mat H; | |
| 407 | 170 | Vec u1,v1; | |
| 408 | 170 | BV U,V; | |
| 409 | 170 | IS is[2]; | |
| 410 | 170 | PetscInt k; | |
| 411 | |||
| 412 |
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170 | PetscFunctionBegin; |
| 413 |
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170 | PetscCall(STGetMatrix(eps->st,0,&H)); |
| 414 |
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170 | PetscCall(MatNestGetISs(H,is,NULL)); |
| 415 |
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170 | PetscCall(BVGetSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 416 | /* approx eigenvector [x1] is [ u1+v1 ] | ||
| 417 | [x2] [conj(u1)-conj(v1)] */ | ||
| 418 |
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1246 | for (k=0; k<eps->nconv; k++) { |
| 419 |
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1076 | PetscCall(BVGetColumn(U,k,&u1)); |
| 420 |
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1076 | PetscCall(BVGetColumn(V,k,&v1)); |
| 421 | /* x1 = u1 + v1 */ | ||
| 422 |
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1076 | PetscCall(VecAXPY(u1,1.0,v1)); |
| 423 | /* x2 = conj(u1) - conj(v1) = conj(u1 - v1) = conj((u1 + v1) - 2*v1) */ | ||
| 424 |
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1076 | PetscCall(VecAYPX(v1,-2.0,u1)); |
| 425 |
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1076 | PetscCall(VecConjugate(v1)); |
| 426 |
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1076 | PetscCall(BVRestoreColumn(U,k,&u1)); |
| 427 |
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1076 | PetscCall(BVRestoreColumn(V,k,&v1)); |
| 428 | } | ||
| 429 |
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170 | PetscCall(BVRestoreSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 430 | /* Normalize eigenvectors */ | ||
| 431 |
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170 | PetscCall(BVSetActiveColumns(eps->V,0,eps->nconv)); |
| 432 |
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170 | PetscCall(BVNormalize(eps->V,NULL)); |
| 433 |
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26 | PetscFunctionReturn(PETSC_SUCCESS); |
| 434 | } | ||
| 435 | |||
| 436 | /* Full orthogonalization of vector [hx, conj(hx)] against first j vectors in X and Y */ | ||
| 437 | 15566 | static PetscErrorCode Orthog_ProjectedBSE(Vec hx,BV X,BV Y,PetscInt j,PetscScalar *h,PetscScalar *c) | |
| 438 | { | ||
| 439 | 15566 | PetscInt i; | |
| 440 | |||
| 441 |
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15566 | PetscFunctionBegin; |
| 442 |
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15566 | PetscCall(BVSetActiveColumns(X,0,j)); |
| 443 |
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15566 | PetscCall(BVSetActiveColumns(Y,0,j)); |
| 444 | /* c1 = X^* hx */ | ||
| 445 |
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15566 | PetscCall(BVDotVec(X,hx,c)); |
| 446 | /* c2 = Y^* conj(hx) */ | ||
| 447 |
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15566 | PetscCall(VecConjugate(hx)); |
| 448 |
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15566 | PetscCall(BVDotVec(Y,hx,c+j)); |
| 449 | /* c = c1 - c2 */ | ||
| 450 |
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199528 | for (i=0;i<j;i++) c[i] -= c[i+j]; |
| 451 | /* hx = hx - conj(Y*c) */ | ||
| 452 |
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15566 | PetscCall(BVMultVec(Y,-1.0,1.0,hx,c)); |
| 453 |
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15566 | PetscCall(VecConjugate(hx)); |
| 454 | /* hx = hx - X*c */ | ||
| 455 |
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15566 | PetscCall(BVMultVec(X,-1.0,1.0,hx,c)); |
| 456 | /* accumulate orthog coeffs into h */ | ||
| 457 |
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199528 | for (i=0;i<j;i++) h[i] += c[i]; |
| 458 |
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2842 | PetscFunctionReturn(PETSC_SUCCESS); |
| 459 | } | ||
| 460 | |||
| 461 | /* Orthogonalize vector [hx; hy] against first j vectors in X and Y | ||
| 462 | The result is a vector [u; conj(u)]. Vector hx is overwritten with u. */ | ||
| 463 | 15566 | static PetscErrorCode OrthogonalizeVector_ProjectedBSE(Vec hx,Vec hy,BV X,BV Y,PetscInt j,PetscReal *beta,PetscInt k,PetscScalar *h) | |
| 464 | { | ||
| 465 | 15566 | PetscInt l,i; | |
| 466 | 15566 | PetscScalar alpha,alpha1,alpha2; | |
| 467 | 15566 | Vec x,y; | |
| 468 | |||
| 469 |
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15566 | PetscFunctionBegin; |
| 470 |
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15566 | PetscCall(PetscArrayzero(h,2*j)); |
| 471 | |||
| 472 | /* Local orthogonalization */ | ||
| 473 |
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15566 | l = j==k+1?0:j-2; /* 1st column to orthogonalize against */ |
| 474 | /* alpha = X(:,j-1)'*hx-Y(:,j-1)'*hy */ | ||
| 475 |
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15566 | PetscCall(BVGetColumn(X,j-1,&x)); |
| 476 |
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15566 | PetscCall(BVGetColumn(Y,j-1,&y)); |
| 477 |
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15566 | PetscCall(VecDotBegin(hx,x,&alpha1)); |
| 478 |
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15566 | PetscCall(VecDotBegin(hy,y,&alpha2)); |
| 479 |
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15566 | PetscCall(VecDotEnd(hx,x,&alpha1)); |
| 480 |
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15566 | PetscCall(VecDotEnd(hy,y,&alpha2)); |
| 481 |
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15566 | PetscCall(BVRestoreColumn(X,j-1,&x)); |
| 482 |
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15566 | PetscCall(BVRestoreColumn(Y,j-1,&y)); |
| 483 | 15566 | alpha = alpha1-alpha2; | |
| 484 | /* Store coeffs into h */ | ||
| 485 |
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48605 | for (i=l; i<j-1; i++) h[i] = h[j+i] = beta[i]/2.0; |
| 486 | 15566 | h[j-1] = alpha; | |
| 487 | |||
| 488 | /* Orthogonalize: hx = hx - X(:,l:j-1)*h1 - conj(Y(:,l:j-1))*h2 */ | ||
| 489 | /* hx = hx - X(:,l:j-1)*h1 */ | ||
| 490 |
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15566 | PetscCall(BVSetActiveColumns(X,l,j)); |
| 491 |
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15566 | PetscCall(BVSetActiveColumns(Y,l,j)); |
| 492 |
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15566 | PetscCall(BVMultVec(X,-1.0,1.0,hx,h+l)); |
| 493 | /* hx = conj(hx) */ | ||
| 494 |
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15566 | PetscCall(VecConjugate(hx)); |
| 495 | /* hx = hx - Y(:,l:j-1)*conj(h2) */ | ||
| 496 | 15566 | h[2*j-1] = PetscConj(alpha-1.0); | |
| 497 |
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15566 | PetscCall(BVMultVec(Y,-1.0,1.0,hx,h+j+l)); |
| 498 | 15566 | h[2*j-1] = alpha-1.0; | |
| 499 | /* hx = conj(hx) */ | ||
| 500 |
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15566 | PetscCall(VecConjugate(hx)); |
| 501 | |||
| 502 | /* Full orthogonalization */ | ||
| 503 |
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15566 | PetscCall(Orthog_ProjectedBSE(hx,X,Y,j,h,h+2*j)); |
| 504 |
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2842 | PetscFunctionReturn(PETSC_SUCCESS); |
| 505 | } | ||
| 506 | |||
| 507 | 2465 | static PetscErrorCode EPSBSELanczos_ProjectedBSE(EPS eps,BV X,BV Y,Vec v,PetscReal *alpha,PetscReal *beta,PetscInt k,PetscInt *M,PetscBool *breakdown) | |
| 508 | { | ||
| 509 | 2465 | PetscInt j,m = *M; | |
| 510 | 2465 | Vec u,x,y,w,f,g,vecs[2]; | |
| 511 | 2465 | Mat H; | |
| 512 | 2465 | IS is[2]; | |
| 513 | 2465 | PetscReal nrm; | |
| 514 | 2465 | PetscScalar *hwork,lhwork[100],gamma; | |
| 515 | 2465 | PetscBool alloc=PETSC_FALSE; | |
| 516 | 2465 | PetscContainer container; | |
| 517 | 2465 | SlepcMatStruct mctx; | |
| 518 | |||
| 519 |
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2465 | PetscFunctionBegin; |
| 520 |
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2465 | if (4*m > 100) { |
| 521 | ✗ | PetscCall(PetscMalloc1(4*m,&hwork)); | |
| 522 | alloc = PETSC_TRUE; | ||
| 523 | 2465 | } else hwork = lhwork; | |
| 524 |
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2465 | PetscCall(STGetMatrix(eps->st,0,&H)); |
| 525 |
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2465 | PetscCall(MatNestGetISs(H,is,NULL)); |
| 526 |
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2465 | PetscCall(PetscObjectQuery((PetscObject)H,"SlepcMatStruct",(PetscObject*)&container)); |
| 527 |
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2465 | PetscCall(PetscContainerGetPointer(container,(void**)&mctx)); |
| 528 | |||
| 529 | /* create work vectors */ | ||
| 530 |
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2465 | PetscCall(BVGetColumn(Y,0,&u)); |
| 531 |
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2465 | PetscCall(VecDuplicate(u,&w)); |
| 532 | 2465 | vecs[0] = u; | |
| 533 | 2465 | vecs[1] = w; | |
| 534 |
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2465 | PetscCall(VecCreateNest(PetscObjectComm((PetscObject)eps),2,is,vecs,&f)); |
| 535 |
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2465 | PetscCall(VecCreateNest(PetscObjectComm((PetscObject)eps),2,is,vecs,&g)); |
| 536 |
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2465 | PetscCall(BVRestoreColumn(Y,0,&u)); |
| 537 | |||
| 538 | /* Normalize initial vector */ | ||
| 539 |
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2465 | if (k==0) { |
| 540 |
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160 | if (eps->nini==0) PetscCall(BVSetRandomColumn(eps->V,0)); |
| 541 |
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160 | PetscCall(BVGetColumn(X,0,&x)); |
| 542 | /* v = Hmult(u,1) */ | ||
| 543 |
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160 | PetscCall(BVGetColumn(Y,0,&y)); |
| 544 |
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160 | PetscCall(VecNestSetSubVec(f,0,x)); |
| 545 |
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160 | PetscCall(VecNestSetSubVec(g,0,y)); |
| 546 | 160 | mctx->s = 1.0; | |
| 547 |
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160 | PetscCall(STApply(eps->st,f,g)); |
| 548 | /* nrm = sqrt(real(u'*v)) */ | ||
| 549 |
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160 | PetscCall(VecDot(y,x,&gamma)); |
| 550 | 160 | nrm = PetscSqrtReal(PetscRealPart(gamma)); | |
| 551 |
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160 | if (nrm==0.0) { |
| 552 | ✗ | if (breakdown) *breakdown = PETSC_TRUE; | |
| 553 | ✗ | *M = 1; m = 0; | |
| 554 | } else { | ||
| 555 | /* u = u /(nrm*2) */ | ||
| 556 |
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160 | PetscCall(VecScale(x,1.0/(2.0*nrm))); |
| 557 | /* v = v /(nrm*2) */ | ||
| 558 |
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160 | PetscCall(VecScale(y,1.0/(2.0*nrm))); |
| 559 |
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160 | PetscCall(VecCopy(y,v)); |
| 560 | /* X(:,1) = (u+v) */ | ||
| 561 |
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160 | PetscCall(VecAXPY(x,1,y)); |
| 562 | /* Y(:,1) = conj(u-v) */ | ||
| 563 |
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160 | PetscCall(VecAYPX(y,-2,x)); |
| 564 |
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160 | PetscCall(VecConjugate(y)); |
| 565 | } | ||
| 566 |
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160 | PetscCall(BVRestoreColumn(X,0,&x)); |
| 567 |
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160 | PetscCall(BVRestoreColumn(Y,0,&y)); |
| 568 | } | ||
| 569 | |||
| 570 |
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18031 | for (j=k;j<m;j++) { |
| 571 | /* j+1 columns (indexes 0 to j) have been computed */ | ||
| 572 |
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15566 | PetscCall(BVGetColumn(X,j+1,&x)); |
| 573 |
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15566 | PetscCall(BVGetColumn(Y,j+1,&y)); |
| 574 | /* u = Hmult(v,-1)*/ | ||
| 575 |
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15566 | PetscCall(VecNestSetSubVec(f,0,v)); |
| 576 |
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15566 | PetscCall(VecNestSetSubVec(g,0,x)); |
| 577 | 15566 | mctx->s = -1.0; | |
| 578 |
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15566 | PetscCall(STApply(eps->st,f,g)); |
| 579 | /* hx = (u+v) */ | ||
| 580 |
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15566 | PetscCall(VecCopy(x,y)); |
| 581 |
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15566 | PetscCall(VecAXPY(x,1,v)); |
| 582 | /* hy = conj(u-v) */ | ||
| 583 |
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15566 | PetscCall(VecAXPY(y,-1,v)); |
| 584 |
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15566 | PetscCall(VecConjugate(y)); |
| 585 | /* [u,cd] = orthog(hx,hy,X(:,1:j),Y(:,1:j),opt)*/ | ||
| 586 |
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15566 | PetscCall(OrthogonalizeVector_ProjectedBSE(x,y,X,Y,j+1,beta,k,hwork)); |
| 587 | /* alpha(j) = 2*(real(cd(j))-1/2) */ | ||
| 588 | 15566 | alpha[j] = 2*(PetscRealPart(hwork[j]) - 0.5); | |
| 589 | /* v = Hmult(u,1) */ | ||
| 590 |
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15566 | PetscCall(VecNestSetSubVec(f,0,x)); |
| 591 |
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15566 | PetscCall(VecNestSetSubVec(g,0,y)); |
| 592 | 15566 | mctx->s = 1.0; | |
| 593 |
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15566 | PetscCall(STApply(eps->st,f,g)); |
| 594 | /* nrm = sqrt(real(u'*v)) */ | ||
| 595 | /* beta(j) = 2*nrm */ | ||
| 596 |
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15566 | PetscCall(VecDot(x,y,&gamma)); |
| 597 | 15566 | beta[j] = 2.0*PetscSqrtReal(PetscRealPart(gamma)); | |
| 598 |
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15566 | if (beta[j]==0.0) { |
| 599 | ✗ | if (breakdown) *breakdown = PETSC_TRUE; | |
| 600 | ✗ | *M = j+1; m = j; | |
| 601 | } else { | ||
| 602 | /* u = u/(nrm*2) */ | ||
| 603 |
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15566 | PetscCall(VecScale(x,1.0/beta[j])); |
| 604 | /* v = v/(nrm*2) */ | ||
| 605 |
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15566 | PetscCall(VecScale(y,1.0/beta[j])); |
| 606 |
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15566 | PetscCall(VecCopy(y,v)); |
| 607 | /* X(:,j+1) = (u+v) */ | ||
| 608 |
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15566 | PetscCall(VecAXPY(x,1,y)); |
| 609 | /* Y(:,j+1) = conj(u-v) */ | ||
| 610 |
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15566 | PetscCall(VecAYPX(y,-2,x)); |
| 611 |
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15566 | PetscCall(VecConjugate(y)); |
| 612 | } | ||
| 613 |
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15566 | PetscCall(BVRestoreColumn(X,j+1,&x)); |
| 614 |
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15566 | PetscCall(BVRestoreColumn(Y,j+1,&y)); |
| 615 | } | ||
| 616 |
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2465 | if (alloc) PetscCall(PetscFree(hwork)); |
| 617 |
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2465 | PetscCall(VecDestroy(&w)); |
| 618 |
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2465 | PetscCall(VecDestroy(&f)); |
| 619 |
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2465 | PetscCall(VecDestroy(&g)); |
| 620 |
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467 | PetscFunctionReturn(PETSC_SUCCESS); |
| 621 | } | ||
| 622 | |||
| 623 | 160 | static PetscErrorCode EPSComputeVectors_BSE_ProjectedBSE(EPS eps) | |
| 624 | { | ||
| 625 | 160 | Mat H; | |
| 626 | 160 | Vec x1,y1,cx1,cy1; | |
| 627 | 160 | BV X,Y; | |
| 628 | 160 | IS is[2]; | |
| 629 | 160 | PetscInt k; | |
| 630 | 160 | PetscScalar delta1,delta2,lambda; | |
| 631 | |||
| 632 |
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160 | PetscFunctionBegin; |
| 633 |
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160 | PetscCall(STGetMatrix(eps->st,0,&H)); |
| 634 |
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160 | PetscCall(MatNestGetISs(H,is,NULL)); |
| 635 |
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160 | PetscCall(BVGetSplitRows(eps->V,is[0],is[1],&X,&Y)); |
| 636 |
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160 | PetscCall(BVCreateVec(X,&cx1)); |
| 637 |
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160 | PetscCall(BVCreateVec(Y,&cy1)); |
| 638 |
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1163 | for (k=0; k<eps->nconv; k++) { |
| 639 | /* approx eigenvector is [ delta1*x1 + delta2*conj(y1) ] | ||
| 640 | [ delta1*y1 + delta2*conj(x1) ] */ | ||
| 641 | 1003 | lambda = eps->eigr[k]; | |
| 642 |
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1003 | PetscCall(STBackTransform(eps->st,1,&lambda,&eps->eigi[k])); |
| 643 | 1003 | delta1 = lambda+1.0; | |
| 644 | 1003 | delta2 = lambda-1.0; | |
| 645 |
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1003 | PetscCall(BVGetColumn(X,k,&x1)); |
| 646 |
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1003 | PetscCall(BVGetColumn(Y,k,&y1)); |
| 647 |
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1003 | PetscCall(VecCopy(x1,cx1)); |
| 648 |
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1003 | PetscCall(VecCopy(y1,cy1)); |
| 649 |
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1003 | PetscCall(VecConjugate(cx1)); |
| 650 |
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1003 | PetscCall(VecConjugate(cy1)); |
| 651 |
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1003 | PetscCall(VecScale(x1,delta1)); |
| 652 |
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1003 | PetscCall(VecScale(y1,delta1)); |
| 653 |
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1003 | PetscCall(VecAXPY(x1,delta2,cy1)); |
| 654 |
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1003 | PetscCall(VecAXPY(y1,delta2,cx1)); |
| 655 |
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1003 | PetscCall(BVRestoreColumn(X,k,&x1)); |
| 656 |
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1003 | PetscCall(BVRestoreColumn(Y,k,&y1)); |
| 657 | } | ||
| 658 |
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160 | PetscCall(BVRestoreSplitRows(eps->V,is[0],is[1],&X,&Y)); |
| 659 |
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160 | PetscCall(BVSetActiveColumns(eps->V,0,eps->nconv)); |
| 660 | /* Normalize eigenvector */ | ||
| 661 |
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160 | PetscCall(BVNormalize(eps->V,NULL)); |
| 662 |
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160 | PetscCall(VecDestroy(&cx1)); |
| 663 |
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160 | PetscCall(VecDestroy(&cy1)); |
| 664 |
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|
24 | PetscFunctionReturn(PETSC_SUCCESS); |
| 665 | } | ||
| 666 | |||
| 667 | 505 | PetscErrorCode EPSSetUp_KrylovSchur_BSE(EPS eps) | |
| 668 | { | ||
| 669 | 505 | EPS_KRYLOVSCHUR *ctx = (EPS_KRYLOVSCHUR*)eps->data; | |
| 670 | 505 | PetscBool flg,sinvert; | |
| 671 | |||
| 672 |
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505 | PetscFunctionBegin; |
| 673 |
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505 | PetscCheck((eps->problem_type==EPS_BSE),PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONGSTATE,"Problem type should be BSE"); |
| 674 |
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505 | EPSCheckUnsupportedCondition(eps,EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_EXTRACTION | EPS_FEATURE_BALANCE,PETSC_TRUE," with BSE structure"); |
| 675 |
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505 | PetscCall(PetscCitationsRegister(citation,&cited)); |
| 676 |
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505 | PetscCall(EPSSetDimensions_Default(eps,&eps->nev,&eps->ncv,&eps->mpd)); |
| 677 |
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505 | PetscCheck(eps->ncv<=eps->nev+eps->mpd,PetscObjectComm((PetscObject)eps),PETSC_ERR_USER_INPUT,"The value of ncv must not be larger than nev+mpd"); |
| 678 |
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|
950 | if (eps->max_it==PETSC_DETERMINE) eps->max_it = PetscMax(100,2*eps->n/eps->ncv)*((eps->stop==EPS_STOP_THRESHOLD)?10:1); |
| 679 | |||
| 680 |
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505 | PetscCall(PetscObjectTypeCompareAny((PetscObject)eps->st,&flg,STSINVERT,STSHIFT,"")); |
| 681 |
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505 | PetscCheck(flg,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Krylov-Schur BSE only supports shift and shift-and-invert ST"); |
| 682 |
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505 | PetscCall(PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&sinvert)); |
| 683 |
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505 | if (!eps->which) { |
| 684 |
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|
485 | if (sinvert) eps->which = EPS_TARGET_MAGNITUDE; |
| 685 | 407 | else eps->which = EPS_SMALLEST_MAGNITUDE; | |
| 686 | } | ||
| 687 | |||
| 688 |
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505 | if (!ctx->keep) ctx->keep = 0.5; |
| 689 |
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505 | PetscCall(STSetStructured(eps->st,PETSC_TRUE)); |
| 690 | |||
| 691 |
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505 | PetscCall(EPSAllocateSolution(eps,1)); |
| 692 |
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505 | switch (ctx->bse) { |
| 693 | 175 | case EPS_KRYLOVSCHUR_BSE_SHAO: | |
| 694 | 175 | eps->ops->solve = EPSSolve_KrylovSchur_BSE_Shao; | |
| 695 | 175 | eps->ops->computevectors = EPSComputeVectors_BSE_Shao; | |
| 696 |
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175 | PetscCall(DSSetType(eps->ds,DSHEP)); |
| 697 |
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175 | PetscCall(DSSetCompact(eps->ds,PETSC_TRUE)); |
| 698 |
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175 | PetscCall(DSSetExtraRow(eps->ds,PETSC_TRUE)); |
| 699 |
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175 | PetscCall(DSAllocate(eps->ds,eps->ncv+1)); |
| 700 | break; | ||
| 701 | 170 | case EPS_KRYLOVSCHUR_BSE_GRUNING: | |
| 702 | 170 | eps->ops->solve = EPSSolve_KrylovSchur_BSE_Gruning; | |
| 703 | 170 | eps->ops->computevectors = EPSComputeVectors_BSE_Gruning; | |
| 704 |
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170 | PetscCall(DSSetType(eps->ds,DSSVD)); |
| 705 |
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170 | PetscCall(DSSetCompact(eps->ds,PETSC_TRUE)); |
| 706 |
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170 | PetscCall(DSSetExtraRow(eps->ds,PETSC_TRUE)); |
| 707 |
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170 | PetscCall(DSAllocate(eps->ds,eps->ncv+1)); |
| 708 | break; | ||
| 709 | 160 | case EPS_KRYLOVSCHUR_BSE_PROJECTEDBSE: | |
| 710 | 160 | eps->ops->solve = EPSSolve_KrylovSchur_BSE_ProjectedBSE; | |
| 711 | 160 | eps->ops->computevectors = EPSComputeVectors_BSE_ProjectedBSE; | |
| 712 |
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160 | PetscCall(DSSetType(eps->ds,DSHEP)); |
| 713 |
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160 | PetscCall(DSSetCompact(eps->ds,PETSC_TRUE)); |
| 714 |
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160 | PetscCall(DSSetExtraRow(eps->ds,PETSC_TRUE)); |
| 715 |
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160 | PetscCall(DSAllocate(eps->ds,eps->ncv+1)); |
| 716 | break; | ||
| 717 | ✗ | default: SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_PLIB,"Unexpected error"); | |
| 718 | } | ||
| 719 |
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|
77 | PetscFunctionReturn(PETSC_SUCCESS); |
| 720 | } | ||
| 721 | |||
| 722 | 175 | PetscErrorCode EPSSolve_KrylovSchur_BSE_Shao(EPS eps) | |
| 723 | { | ||
| 724 | 175 | EPS_KRYLOVSCHUR *ctx = (EPS_KRYLOVSCHUR*)eps->data; | |
| 725 | 175 | PetscInt i,k,l,ld,nv,nconv=0,nevsave; | |
| 726 | 175 | Mat H,Q; | |
| 727 | 175 | BV U,V; | |
| 728 | 175 | IS is[2]; | |
| 729 | 175 | PetscReal *a,*b,beta; | |
| 730 | 175 | PetscBool breakdown=PETSC_FALSE; | |
| 731 | |||
| 732 |
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175 | PetscFunctionBegin; |
| 733 |
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175 | PetscCall(DSGetLeadingDimension(eps->ds,&ld)); |
| 734 | |||
| 735 | /* Extract matrix blocks */ | ||
| 736 |
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175 | PetscCall(STGetMatrix(eps->st,0,&H)); |
| 737 |
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175 | PetscCall(MatNestGetISs(H,is,NULL)); |
| 738 | |||
| 739 | /* Get the split bases */ | ||
| 740 |
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175 | PetscCall(BVGetSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 741 | |||
| 742 | 175 | nevsave = eps->nev; | |
| 743 | 175 | eps->nev = (eps->nev+1)/2; | |
| 744 | 175 | l = 0; | |
| 745 | |||
| 746 | /* Restart loop */ | ||
| 747 | 175 | while (eps->reason == EPS_CONVERGED_ITERATING) { | |
| 748 | 2552 | eps->its++; | |
| 749 | |||
| 750 | /* Compute an nv-step Lanczos factorization */ | ||
| 751 | 2552 | nv = PetscMin(eps->nconv+eps->mpd,eps->ncv); | |
| 752 |
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2552 | PetscCall(DSSetDimensions(eps->ds,nv,eps->nconv,eps->nconv+l)); |
| 753 |
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2552 | PetscCall(DSGetArrayReal(eps->ds,DS_MAT_T,&a)); |
| 754 | 2552 | b = a + ld; | |
| 755 |
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|
2552 | PetscCall(EPSBSELanczos_Shao(eps,U,V,a,b,eps->nconv+l,&nv,&breakdown)); |
| 756 | 2552 | beta = b[nv-1]; | |
| 757 |
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2552 | PetscCall(DSRestoreArrayReal(eps->ds,DS_MAT_T,&a)); |
| 758 |
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2552 | PetscCall(DSSetDimensions(eps->ds,nv,eps->nconv,eps->nconv+l)); |
| 759 |
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2552 | PetscCall(DSSetState(eps->ds,l?DS_STATE_RAW:DS_STATE_INTERMEDIATE)); |
| 760 |
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2552 | PetscCall(BVSetActiveColumns(eps->V,eps->nconv,nv)); |
| 761 | |||
| 762 | /* Solve projected problem */ | ||
| 763 |
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2552 | PetscCall(DSSolve(eps->ds,eps->eigr,eps->eigi)); |
| 764 |
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2552 | PetscCall(DSSort(eps->ds,eps->eigr,eps->eigi,NULL,NULL,NULL)); |
| 765 |
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2552 | PetscCall(DSUpdateExtraRow(eps->ds)); |
| 766 |
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2552 | PetscCall(DSSynchronize(eps->ds,eps->eigr,eps->eigi)); |
| 767 | |||
| 768 | /* Check convergence */ | ||
| 769 |
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39362 | for (i=0;i<nv;i++) eps->eigr[i] = PetscSqrtReal(PetscRealPart(eps->eigr[i])); |
| 770 |
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2552 | PetscCall(EPSKrylovConvergence(eps,PETSC_FALSE,eps->nconv,nv-eps->nconv,beta,0.0,1.0,&k)); |
| 771 |
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|
2552 | EPSSetCtxThreshold(eps,eps->eigr,eps->eigi,eps->errest,k,nv); |
| 772 |
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|
2552 | PetscCall((*eps->stopping)(eps,eps->its,eps->max_it,k,eps->nev,&eps->reason,eps->stoppingctx)); |
| 773 | 2552 | nconv = k; | |
| 774 | |||
| 775 | /* Update l */ | ||
| 776 |
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2552 | if (eps->reason != EPS_CONVERGED_ITERATING || breakdown || k==nv) l = 0; |
| 777 | 2377 | else l = PetscMax(1,(PetscInt)((nv-k)*ctx->keep)); | |
| 778 |
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2552 | if (!ctx->lock && l>0) { l += k; k = 0; } /* non-locking variant: reset no. of converged pairs */ |
| 779 |
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|
2552 | if (l) PetscCall(PetscInfo(eps,"Preparing to restart keeping l=%" PetscInt_FMT " vectors\n",l)); |
| 780 | |||
| 781 |
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2552 | if (eps->reason == EPS_CONVERGED_ITERATING) { |
| 782 |
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2377 | PetscCheck(!breakdown,PetscObjectComm((PetscObject)eps),PETSC_ERR_CONV_FAILED,"Breakdown in BSE Krylov-Schur (beta=%g)",(double)beta); |
| 783 | /* Prepare the Rayleigh quotient for restart */ | ||
| 784 |
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2377 | PetscCall(DSTruncate(eps->ds,k+l,PETSC_FALSE)); |
| 785 | } | ||
| 786 | /* Update the corresponding vectors | ||
| 787 | U(:,idx) = U*Q(:,idx), V(:,idx) = V*Q(:,idx) */ | ||
| 788 |
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2552 | PetscCall(DSGetMat(eps->ds,DS_MAT_Q,&Q)); |
| 789 |
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2552 | PetscCall(BVMultInPlace(U,Q,eps->nconv,k+l)); |
| 790 |
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2552 | PetscCall(BVMultInPlace(V,Q,eps->nconv,k+l)); |
| 791 |
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2552 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_Q,&Q)); |
| 792 | |||
| 793 |
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2552 | if (eps->reason == EPS_CONVERGED_ITERATING && !breakdown) { |
| 794 |
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2377 | PetscCall(BVCopyColumn(eps->V,nv,k+l)); |
| 795 |
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|
2377 | if (eps->stop==EPS_STOP_THRESHOLD && nv-k<5) { /* reallocate */ |
| 796 | 15 | eps->ncv = eps->mpd+k; | |
| 797 |
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15 | PetscCall(BVRestoreSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 798 |
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15 | PetscCall(EPSReallocateSolution(eps,eps->ncv+1)); |
| 799 |
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15 | PetscCall(BVGetSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 800 |
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105 | for (i=nv;i<eps->ncv;i++) eps->perm[i] = i; |
| 801 |
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15 | PetscCall(DSReallocate(eps->ds,eps->ncv+1)); |
| 802 |
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|
15 | PetscCall(DSGetLeadingDimension(eps->ds,&ld)); |
| 803 | } | ||
| 804 | } | ||
| 805 | 2552 | eps->nconv = k; | |
| 806 |
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|
2727 | PetscCall(EPSMonitor(eps,eps->its,nconv,eps->eigr,eps->eigi,eps->errest,nv)); |
| 807 | } | ||
| 808 | |||
| 809 | 175 | eps->nev = nevsave; | |
| 810 | |||
| 811 |
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175 | PetscCall(DSTruncate(eps->ds,eps->nconv,PETSC_TRUE)); |
| 812 |
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175 | PetscCall(BVRestoreSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 813 |
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|
27 | PetscFunctionReturn(PETSC_SUCCESS); |
| 814 | } | ||
| 815 | |||
| 816 | /* | ||
| 817 | EPSConvergence_Gruning - convergence check based on SVDKrylovConvergence(). | ||
| 818 | */ | ||
| 819 | 2479 | static PetscErrorCode EPSConvergence_Gruning(EPS eps,PetscBool getall,PetscInt kini,PetscInt nits,PetscInt *kout) | |
| 820 | { | ||
| 821 | 2479 | PetscInt k,marker,ld; | |
| 822 | 2479 | PetscReal *alpha,*beta,resnorm; | |
| 823 | 2479 | PetscBool extra; | |
| 824 | |||
| 825 |
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2479 | PetscFunctionBegin; |
| 826 | 2479 | *kout = 0; | |
| 827 |
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2479 | PetscCall(DSGetLeadingDimension(eps->ds,&ld)); |
| 828 |
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|
2479 | PetscCall(DSGetExtraRow(eps->ds,&extra)); |
| 829 |
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2479 | PetscCheck(extra,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Only implemented for DS with extra row"); |
| 830 | 2479 | marker = -1; | |
| 831 |
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2479 | if (eps->trackall) getall = PETSC_TRUE; |
| 832 |
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|
2479 | PetscCall(DSGetArrayReal(eps->ds,DS_MAT_T,&alpha)); |
| 833 | 2479 | beta = alpha + ld; | |
| 834 |
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3555 | for (k=kini;k<kini+nits;k++) { |
| 835 | 3555 | resnorm = PetscAbsReal(beta[k]); | |
| 836 |
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|
3555 | PetscCall((*eps->converged)(eps,eps->eigr[k],eps->eigi[k],resnorm,&eps->errest[k],eps->convergedctx)); |
| 837 |
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3555 | if (marker==-1 && eps->errest[k] >= eps->tol) marker = k; |
| 838 |
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3555 | if (marker!=-1 && !getall) break; |
| 839 | } | ||
| 840 |
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2479 | PetscCall(DSRestoreArrayReal(eps->ds,DS_MAT_T,&alpha)); |
| 841 |
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2479 | if (marker!=-1) k = marker; |
| 842 | 2479 | *kout = k; | |
| 843 |
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|
2479 | PetscFunctionReturn(PETSC_SUCCESS); |
| 844 | } | ||
| 845 | |||
| 846 | 170 | PetscErrorCode EPSSolve_KrylovSchur_BSE_Gruning(EPS eps) | |
| 847 | { | ||
| 848 | 170 | EPS_KRYLOVSCHUR *ctx = (EPS_KRYLOVSCHUR*)eps->data; | |
| 849 | 170 | PetscInt i,k,l,ld,nv,nconv=0,nevsave; | |
| 850 | 170 | Mat H,Q,Z; | |
| 851 | 170 | BV U,V,HU,HV; | |
| 852 | 170 | IS is[2]; | |
| 853 | 170 | PetscReal *d1,*d2,beta; | |
| 854 | 170 | PetscBool breakdown=PETSC_FALSE; | |
| 855 | |||
| 856 |
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170 | PetscFunctionBegin; |
| 857 |
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170 | PetscCall(DSGetLeadingDimension(eps->ds,&ld)); |
| 858 | |||
| 859 | /* Extract matrix blocks */ | ||
| 860 |
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170 | PetscCall(STGetMatrix(eps->st,0,&H)); |
| 861 |
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170 | PetscCall(MatNestGetISs(H,is,NULL)); |
| 862 | |||
| 863 | /* Get the split bases */ | ||
| 864 |
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170 | PetscCall(BVGetSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 865 | |||
| 866 | /* Create HU and HV */ | ||
| 867 |
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170 | PetscCall(BVDuplicate(U,&HU)); |
| 868 |
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170 | PetscCall(BVDuplicate(V,&HV)); |
| 869 | |||
| 870 | 170 | nevsave = eps->nev; | |
| 871 | 170 | eps->nev = (eps->nev+1)/2; | |
| 872 | 170 | l = 0; | |
| 873 | |||
| 874 | /* Restart loop */ | ||
| 875 | 170 | while (eps->reason == EPS_CONVERGED_ITERATING) { | |
| 876 | 2479 | eps->its++; | |
| 877 | |||
| 878 | /* Compute an nv-step Lanczos factorization */ | ||
| 879 | 2479 | nv = PetscMin(eps->nconv+eps->mpd,eps->ncv); | |
| 880 |
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2479 | PetscCall(DSSetDimensions(eps->ds,nv,eps->nconv,eps->nconv+l)); |
| 881 |
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2479 | PetscCall(DSGetArrayReal(eps->ds,DS_MAT_T,&d1)); |
| 882 | 2479 | d2 = d1 + ld; | |
| 883 |
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2479 | PetscCall(EPSBSELanczos_Gruning(eps,U,V,HU,HV,d1,d2,eps->nconv+l,&nv,&breakdown)); |
| 884 | 2479 | beta = d1[nv-1]; | |
| 885 |
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2479 | PetscCall(DSRestoreArrayReal(eps->ds,DS_MAT_T,&d1)); |
| 886 | |||
| 887 | /* Compute SVD */ | ||
| 888 |
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2479 | PetscCall(DSSetDimensions(eps->ds,nv,eps->nconv,eps->nconv+l)); |
| 889 |
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2479 | PetscCall(DSSVDSetDimensions(eps->ds,nv)); |
| 890 |
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2479 | PetscCall(DSSetState(eps->ds,l?DS_STATE_RAW:DS_STATE_INTERMEDIATE)); |
| 891 |
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2479 | PetscCall(BVSetActiveColumns(eps->V,eps->nconv,nv)); |
| 892 | |||
| 893 |
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2479 | PetscCall(DSSolve(eps->ds,eps->eigr,eps->eigi)); |
| 894 |
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2479 | PetscCall(DSSort(eps->ds,eps->eigr,eps->eigi,NULL,NULL,NULL)); |
| 895 |
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2479 | PetscCall(DSUpdateExtraRow(eps->ds)); |
| 896 |
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2479 | PetscCall(DSSynchronize(eps->ds,eps->eigr,eps->eigi)); |
| 897 | |||
| 898 | /* Check convergence */ | ||
| 899 |
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2479 | PetscCall(EPSConvergence_Gruning(eps,PETSC_FALSE,eps->nconv,nv-eps->nconv,&k)); |
| 900 |
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|
2479 | EPSSetCtxThreshold(eps,eps->eigr,eps->eigi,eps->errest,k,nv); |
| 901 |
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|
2479 | PetscCall((*eps->stopping)(eps,eps->its,eps->max_it,k,eps->nev,&eps->reason,eps->stoppingctx)); |
| 902 | 2479 | nconv = k; | |
| 903 | |||
| 904 | /* Update l */ | ||
| 905 |
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2479 | if (eps->reason != EPS_CONVERGED_ITERATING || breakdown || k==nv) l = 0; |
| 906 | 2309 | else l = PetscMax(1,(PetscInt)((nv-k)*ctx->keep)); | |
| 907 |
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2479 | if (!ctx->lock && l>0) { l += k; k = 0; } /* non-locking variant: reset no. of converged pairs */ |
| 908 |
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|
2479 | if (l) PetscCall(PetscInfo(eps,"Preparing to restart keeping l=%" PetscInt_FMT " vectors\n",l)); |
| 909 | |||
| 910 |
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2479 | if (eps->reason == EPS_CONVERGED_ITERATING) { |
| 911 |
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2309 | PetscCheck(!breakdown,PetscObjectComm((PetscObject)eps),PETSC_ERR_CONV_FAILED,"Breakdown in BSE Krylov-Schur (beta=%g)",(double)beta); |
| 912 | /* Prepare the Rayleigh quotient for restart */ | ||
| 913 |
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2309 | PetscCall(DSTruncate(eps->ds,k+l,PETSC_FALSE)); |
| 914 | } | ||
| 915 | /* Update the corresponding vectors | ||
| 916 | U(:,idx) = U*Q(:,idx), V(:,idx) = V*Z(:,idx) */ | ||
| 917 |
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2479 | PetscCall(DSGetMat(eps->ds,DS_MAT_U,&Q)); |
| 918 |
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2479 | PetscCall(DSGetMat(eps->ds,DS_MAT_V,&Z)); |
| 919 |
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2479 | PetscCall(BVMultInPlace(U,Z,eps->nconv,k+l)); |
| 920 |
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2479 | PetscCall(BVMultInPlace(V,Q,eps->nconv,k+l)); |
| 921 |
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2479 | PetscCall(BVMultInPlace(HU,Z,eps->nconv,k+l)); |
| 922 |
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2479 | PetscCall(BVMultInPlace(HV,Q,eps->nconv,k+l)); |
| 923 |
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2479 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_U,&Q)); |
| 924 |
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2479 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_V,&Z)); |
| 925 | |||
| 926 |
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2479 | if (eps->reason == EPS_CONVERGED_ITERATING && !breakdown) { |
| 927 |
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2309 | PetscCall(BVCopyColumn(U,nv,k+l)); |
| 928 |
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2309 | PetscCall(BVCopyColumn(HU,nv,k+l)); |
| 929 |
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|
2309 | if (eps->stop==EPS_STOP_THRESHOLD && nv-k<5) { /* reallocate */ |
| 930 | 15 | eps->ncv = eps->mpd+k; | |
| 931 |
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15 | PetscCall(BVRestoreSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 932 |
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15 | PetscCall(EPSReallocateSolution(eps,eps->ncv+1)); |
| 933 |
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15 | PetscCall(BVGetSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 934 |
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15 | PetscCall(BVResize(HU,eps->ncv+1,PETSC_TRUE)); |
| 935 |
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15 | PetscCall(BVResize(HV,eps->ncv+1,PETSC_TRUE)); |
| 936 |
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105 | for (i=nv;i<eps->ncv;i++) { eps->perm[i] = i; eps->eigi[i] = 0.0; } |
| 937 |
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15 | PetscCall(DSReallocate(eps->ds,eps->ncv+1)); |
| 938 |
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15 | PetscCall(DSGetLeadingDimension(eps->ds,&ld)); |
| 939 | } | ||
| 940 | } | ||
| 941 | 2479 | eps->nconv = k; | |
| 942 |
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|
2649 | PetscCall(EPSMonitor(eps,eps->its,nconv,eps->eigr,eps->eigi,eps->errest,nv)); |
| 943 | } | ||
| 944 | |||
| 945 | 170 | eps->nev = nevsave; | |
| 946 | |||
| 947 |
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170 | PetscCall(DSTruncate(eps->ds,eps->nconv,PETSC_TRUE)); |
| 948 |
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170 | PetscCall(BVRestoreSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 949 | |||
| 950 |
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170 | PetscCall(BVDestroy(&HU)); |
| 951 |
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170 | PetscCall(BVDestroy(&HV)); |
| 952 |
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26 | PetscFunctionReturn(PETSC_SUCCESS); |
| 953 | } | ||
| 954 | |||
| 955 | 160 | PetscErrorCode EPSSolve_KrylovSchur_BSE_ProjectedBSE(EPS eps) | |
| 956 | { | ||
| 957 | 160 | EPS_KRYLOVSCHUR *ctx = (EPS_KRYLOVSCHUR*)eps->data; | |
| 958 | 160 | PetscInt i,k,l,ld,nv,nconv=0,nevsave; | |
| 959 | 160 | Mat H,Q; | |
| 960 | 160 | Vec v; | |
| 961 | 160 | BV U,V; | |
| 962 | 160 | IS is[2]; | |
| 963 | 160 | PetscReal *a,*b,beta; | |
| 964 | 160 | PetscBool breakdown=PETSC_FALSE; | |
| 965 | |||
| 966 |
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160 | PetscFunctionBegin; |
| 967 |
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160 | PetscCall(DSGetLeadingDimension(eps->ds,&ld)); |
| 968 | |||
| 969 | /* Extract matrix blocks */ | ||
| 970 |
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160 | PetscCall(STGetMatrix(eps->st,0,&H)); |
| 971 |
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160 | PetscCall(MatNestGetISs(H,is,NULL)); |
| 972 | |||
| 973 | /* Get the split bases */ | ||
| 974 |
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160 | PetscCall(BVGetSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 975 | |||
| 976 | /* Vector v */ | ||
| 977 |
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160 | PetscCall(BVCreateVec(V,&v)); |
| 978 | |||
| 979 | 160 | nevsave = eps->nev; | |
| 980 | 160 | eps->nev = (eps->nev+1)/2; | |
| 981 | 160 | l = 0; | |
| 982 | |||
| 983 | /* Restart loop */ | ||
| 984 | 160 | while (eps->reason == EPS_CONVERGED_ITERATING) { | |
| 985 | 2465 | eps->its++; | |
| 986 | |||
| 987 | /* Compute an nv-step Lanczos factorization */ | ||
| 988 | 2465 | nv = PetscMin(eps->nconv+eps->mpd,eps->ncv); | |
| 989 |
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2465 | PetscCall(DSSetDimensions(eps->ds,nv,eps->nconv,eps->nconv+l)); |
| 990 |
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2465 | PetscCall(DSGetArrayReal(eps->ds,DS_MAT_T,&a)); |
| 991 | 2465 | b = a + ld; | |
| 992 |
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2465 | PetscCall(EPSBSELanczos_ProjectedBSE(eps,U,V,v,a,b,eps->nconv+l,&nv,&breakdown)); |
| 993 | 2465 | beta = b[nv-1]; | |
| 994 |
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2465 | PetscCall(DSRestoreArrayReal(eps->ds,DS_MAT_T,&a)); |
| 995 |
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2465 | PetscCall(DSSetDimensions(eps->ds,nv,eps->nconv,eps->nconv+l)); |
| 996 |
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2465 | PetscCall(DSSetState(eps->ds,l?DS_STATE_RAW:DS_STATE_INTERMEDIATE)); |
| 997 |
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2465 | PetscCall(BVSetActiveColumns(eps->V,eps->nconv,nv)); |
| 998 | |||
| 999 | /* Solve projected problem */ | ||
| 1000 |
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2465 | PetscCall(DSSolve(eps->ds,eps->eigr,eps->eigi)); |
| 1001 |
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2465 | PetscCall(DSSort(eps->ds,eps->eigr,eps->eigi,NULL,NULL,NULL)); |
| 1002 |
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2465 | PetscCall(DSUpdateExtraRow(eps->ds)); |
| 1003 |
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2465 | PetscCall(DSSynchronize(eps->ds,eps->eigr,eps->eigi)); |
| 1004 | |||
| 1005 | /* Check convergence */ | ||
| 1006 |
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37969 | for (i=0;i<nv;i++) eps->eigr[i] = PetscSqrtReal(PetscRealPart(eps->eigr[i])); |
| 1007 |
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2465 | PetscCall(EPSKrylovConvergence(eps,PETSC_FALSE,eps->nconv,nv-eps->nconv,beta,0.0,1.0,&k)); |
| 1008 |
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2465 | EPSSetCtxThreshold(eps,eps->eigr,eps->eigi,eps->errest,k,nv); |
| 1009 |
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2465 | PetscCall((*eps->stopping)(eps,eps->its,eps->max_it,k,eps->nev,&eps->reason,eps->stoppingctx)); |
| 1010 | 2465 | nconv = k; | |
| 1011 | |||
| 1012 | /* Update l */ | ||
| 1013 |
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2465 | if (eps->reason != EPS_CONVERGED_ITERATING || breakdown || k==nv) l = 0; |
| 1014 | 2305 | else l = PetscMax(1,(PetscInt)((nv-k)*ctx->keep)); | |
| 1015 |
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2465 | if (!ctx->lock && l>0) { l += k; k = 0; } /* non-locking variant: reset no. of converged pairs */ |
| 1016 |
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2465 | if (l) PetscCall(PetscInfo(eps,"Preparing to restart keeping l=%" PetscInt_FMT " vectors\n",l)); |
| 1017 | |||
| 1018 |
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2465 | if (eps->reason == EPS_CONVERGED_ITERATING) { |
| 1019 |
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2305 | PetscCheck(!breakdown,PetscObjectComm((PetscObject)eps),PETSC_ERR_CONV_FAILED,"Breakdown in BSE Krylov-Schur (beta=%g)",(double)beta); |
| 1020 | /* Prepare the Rayleigh quotient for restart */ | ||
| 1021 |
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2305 | PetscCall(DSTruncate(eps->ds,k+l,PETSC_FALSE)); |
| 1022 | } | ||
| 1023 | /* Update the corresponding vectors | ||
| 1024 | U(:,idx) = U*Q(:,idx), V(:,idx) = V*Q(:,idx) */ | ||
| 1025 |
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2465 | PetscCall(DSGetMat(eps->ds,DS_MAT_Q,&Q)); |
| 1026 |
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2465 | PetscCall(BVMultInPlace(U,Q,eps->nconv,k+l)); |
| 1027 |
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2465 | PetscCall(BVMultInPlace(V,Q,eps->nconv,k+l)); |
| 1028 |
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2465 | PetscCall(DSRestoreMat(eps->ds,DS_MAT_Q,&Q)); |
| 1029 | |||
| 1030 |
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2465 | if (eps->reason == EPS_CONVERGED_ITERATING && !breakdown) { |
| 1031 |
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2305 | PetscCall(BVCopyColumn(eps->V,nv,k+l)); |
| 1032 |
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2305 | if (eps->stop==EPS_STOP_THRESHOLD && nv-k<5) { /* reallocate */ |
| 1033 | 15 | eps->ncv = eps->mpd+k; | |
| 1034 |
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15 | PetscCall(BVRestoreSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 1035 |
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15 | PetscCall(EPSReallocateSolution(eps,eps->ncv+1)); |
| 1036 |
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15 | PetscCall(BVGetSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 1037 |
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105 | for (i=nv;i<eps->ncv;i++) eps->perm[i] = i; |
| 1038 |
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15 | PetscCall(DSReallocate(eps->ds,eps->ncv+1)); |
| 1039 |
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15 | PetscCall(DSGetLeadingDimension(eps->ds,&ld)); |
| 1040 | } | ||
| 1041 | } | ||
| 1042 | 2465 | eps->nconv = k; | |
| 1043 |
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2625 | PetscCall(EPSMonitor(eps,eps->its,nconv,eps->eigr,eps->eigi,eps->errest,nv)); |
| 1044 | } | ||
| 1045 | |||
| 1046 | 160 | eps->nev = nevsave; | |
| 1047 | |||
| 1048 |
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160 | PetscCall(DSTruncate(eps->ds,eps->nconv,PETSC_TRUE)); |
| 1049 |
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160 | PetscCall(BVRestoreSplitRows(eps->V,is[0],is[1],&U,&V)); |
| 1050 | |||
| 1051 |
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160 | PetscCall(VecDestroy(&v)); |
| 1052 |
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24 | PetscFunctionReturn(PETSC_SUCCESS); |
| 1053 | } | ||
| 1054 |