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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 | Logarithm function log(x) | ||
12 | */ | ||
13 | |||
14 | #include <slepc/private/fnimpl.h> /*I "slepcfn.h" I*/ | ||
15 | #include <slepcblaslapack.h> | ||
16 | |||
17 | 20 | static PetscErrorCode FNEvaluateFunction_Log(FN fn,PetscScalar x,PetscScalar *y) | |
18 | { | ||
19 |
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20 | PetscFunctionBegin; |
20 | #if !defined(PETSC_USE_COMPLEX) | ||
21 |
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10 | PetscCheck(x>=0.0,PETSC_COMM_SELF,PETSC_ERR_ARG_OUTOFRANGE,"Function not defined in the requested value"); |
22 | #endif | ||
23 | 20 | *y = PetscLogScalar(x); | |
24 |
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20 | PetscFunctionReturn(PETSC_SUCCESS); |
25 | } | ||
26 | |||
27 | 20 | static PetscErrorCode FNEvaluateDerivative_Log(FN fn,PetscScalar x,PetscScalar *y) | |
28 | { | ||
29 |
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20 | PetscFunctionBegin; |
30 |
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20 | PetscCheck(x!=0.0,PETSC_COMM_SELF,PETSC_ERR_ARG_OUTOFRANGE,"Derivative not defined in the requested value"); |
31 | #if !defined(PETSC_USE_COMPLEX) | ||
32 |
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10 | PetscCheck(x>0.0,PETSC_COMM_SELF,PETSC_ERR_ARG_OUTOFRANGE,"Derivative not defined in the requested value"); |
33 | #endif | ||
34 | 20 | *y = 1.0/x; | |
35 |
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20 | PetscFunctionReturn(PETSC_SUCCESS); |
36 | } | ||
37 | |||
38 | /* | ||
39 | Block structure of a quasitriangular matrix T. Returns a list of n-1 numbers, where | ||
40 | structure(j) encodes the block type of the j:j+1,j:j+1 diagonal block as one of: | ||
41 | 0 - not the start of a block | ||
42 | 1 - start of a 2x2 triangular block | ||
43 | 2 - start of a 2x2 quasi-triangular (full) block | ||
44 | */ | ||
45 | 50 | static PetscErrorCode qtri_struct(PetscBLASInt n,PetscScalar *T,PetscBLASInt ld,PetscInt *structure) | |
46 | { | ||
47 | 50 | PetscBLASInt j; | |
48 | |||
49 |
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50 | PetscFunctionBegin; |
50 | #if defined(PETSC_USE_COMPLEX) | ||
51 |
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2250 | for (j=0;j<n-1;j++) structure[j] = 1; |
52 | #else | ||
53 |
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20 | if (n==1) PetscFunctionReturn(PETSC_SUCCESS); |
54 |
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20 | else if (n==2) { |
55 | ✗ | structure[0] = (T[1]==0.0)? 1: 2; | |
56 | ✗ | PetscFunctionReturn(PETSC_SUCCESS); | |
57 | } | ||
58 | j = 0; | ||
59 |
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1120 | while (j<n-2) { |
60 |
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1100 | if (T[j+1+j*ld] != 0.0) { /* Start of a 2x2 full block */ |
61 | 360 | structure[j++] = 2; | |
62 | 360 | structure[j++] = 0; | |
63 |
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740 | } else if (T[j+1+j*ld] == 0.0 && T[j+2+(j+1)*ld] == 0.0) { /* Start of a 2x2 triangular block */ |
64 | 730 | structure[j++] = 1; | |
65 | } else { /* Next block must start a 2x2 full block */ | ||
66 | 10 | structure[j++] = 0; | |
67 | } | ||
68 | } | ||
69 |
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20 | if (T[n-1+(n-2)*ld] != 0.0) { /* 2x2 full block at the end */ |
70 | 10 | structure[n-2] = 2; | |
71 |
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10 | } else if (structure[n-3] == 0 || structure[n-3] == 1) { |
72 | 10 | structure[n-2] = 1; | |
73 | } | ||
74 | #endif | ||
75 |
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34 | PetscFunctionReturn(PETSC_SUCCESS); |
76 | } | ||
77 | |||
78 | /* | ||
79 | Compute scaling parameter (s) and order of Pade approximant (m). | ||
80 | wr,wi is overwritten. Required workspace is 3*n*n. | ||
81 | On output, Troot contains the sth square root of T. | ||
82 | */ | ||
83 | 50 | static PetscErrorCode FNlogm_params(FN fn,PetscBLASInt n,PetscScalar *T,PetscBLASInt ld,PetscScalar *wr,PetscScalar *wi,PetscInt maxroots,PetscInt *s,PetscInt *m,PetscScalar *Troot,PetscScalar *work) | |
84 | { | ||
85 | 50 | PetscInt i,j,k,p,s0; | |
86 | 50 | PetscReal inrm,eta,a2,a3,a4,d2,d3,d4,d5; | |
87 | 50 | PetscScalar *TrootmI=work+2*n*n; | |
88 | 50 | PetscBool foundm=PETSC_FALSE,more; | |
89 | 50 | PetscRandom rand; | |
90 | 50 | const PetscReal xvals[] = { 1.586970738772063e-005, 2.313807884242979e-003, 1.938179313533253e-002, | |
91 | 6.209171588994762e-002, 1.276404810806775e-001, 2.060962623452836e-001, 2.879093714241194e-001 }; | ||
92 | 50 | const PetscInt mmax=PETSC_STATIC_ARRAY_LENGTH(xvals); | |
93 | |||
94 |
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50 | PetscFunctionBegin; |
95 |
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50 | PetscCall(PetscRandomCreate(PETSC_COMM_SELF,&rand)); |
96 | /* get initial s0 so that T^(1/2^s0) < xvals(mmax) */ | ||
97 | 50 | *s = 0; | |
98 | 220 | do { | |
99 | 220 | inrm = SlepcAbsEigenvalue(wr[0]-PetscRealConstant(1.0),wi[0]); | |
100 |
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16580 | for (i=1;i<n;i++) inrm = PetscMax(inrm,SlepcAbsEigenvalue(wr[i]-PetscRealConstant(1.0),wi[i])); |
101 |
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220 | if (inrm < xvals[mmax-1]) break; |
102 |
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12920 | for (i=0;i<n;i++) { |
103 | #if defined(PETSC_USE_COMPLEX) | ||
104 | 8250 | wr[i] = PetscSqrtScalar(wr[i]); | |
105 | #else | ||
106 | #if defined(PETSC_HAVE_COMPLEX) | ||
107 | 4500 | PetscComplex z = PetscSqrtComplex(PetscCMPLX(wr[i],wi[i])); | |
108 | 4500 | wr[i] = PetscRealPartComplex(z); | |
109 | 4500 | wi[i] = PetscImaginaryPartComplex(z); | |
110 | #else | ||
111 | SETERRQ(PETSC_COMM_SELF,PETSC_ERR_SUP,"This operation requires a compiler with C99 or C++ complex support"); | ||
112 | #endif | ||
113 | #endif | ||
114 | } | ||
115 | 170 | *s = *s + 1; | |
116 |
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170 | } while (*s<maxroots); |
117 | 50 | s0 = *s; | |
118 |
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50 | if (*s == maxroots) PetscCall(PetscInfo(fn,"Too many matrix square roots\n")); |
119 | |||
120 | /* Troot = T */ | ||
121 |
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3800 | for (j=0;j<n;j++) PetscCall(PetscArraycpy(Troot+j*ld,T+j*ld,PetscMin(j+2,n))); |
122 |
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220 | for (k=1;k<=PetscMin(*s,maxroots);k++) PetscCall(FNSqrtmSchur(fn,n,Troot,ld,PETSC_FALSE)); |
123 | /* Compute value of s and m needed */ | ||
124 | /* TrootmI = Troot - I */ | ||
125 |
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3800 | for (j=0;j<n;j++) { |
126 |
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3750 | PetscCall(PetscArraycpy(TrootmI+j*ld,Troot+j*ld,PetscMin(j+2,n))); |
127 | 3750 | TrootmI[j+j*ld] -= 1.0; | |
128 | } | ||
129 |
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50 | PetscCall(SlepcNormAm(n,TrootmI,2,work,rand,&d2)); |
130 | 50 | d2 = PetscPowReal(d2,1.0/2.0); | |
131 |
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50 | PetscCall(SlepcNormAm(n,TrootmI,3,work,rand,&d3)); |
132 | 50 | d3 = PetscPowReal(d3,1.0/3.0); | |
133 |
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50 | a2 = PetscMax(d2,d3); |
134 |
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50 | if (a2 <= xvals[1]) { |
135 | ✗ | *m = (a2 <= xvals[0])? 1: 2; | |
136 | ✗ | foundm = PETSC_TRUE; | |
137 | } | ||
138 | 50 | p = 0; | |
139 |
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120 | while (!foundm) { |
140 | 120 | more = PETSC_FALSE; /* More norm checks needed */ | |
141 |
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120 | if (*s > s0) { |
142 |
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70 | PetscCall(SlepcNormAm(n,TrootmI,3,work,rand,&d3)); |
143 | 70 | d3 = PetscPowReal(d3,1.0/3.0); | |
144 | } | ||
145 |
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120 | PetscCall(SlepcNormAm(n,TrootmI,4,work,rand,&d4)); |
146 | 120 | d4 = PetscPowReal(d4,1.0/4.0); | |
147 |
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120 | a3 = PetscMax(d3,d4); |
148 |
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120 | if (a3 <= xvals[mmax-1]) { |
149 |
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330 | for (j=2;j<mmax;j++) if (a3 <= xvals[j]) break; |
150 |
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70 | if (j <= 5) { |
151 | 20 | *m = j+1; | |
152 | 20 | break; | |
153 |
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50 | } else if (a3/2.0 <= xvals[4] && p < 2) { |
154 | 20 | more = PETSC_TRUE; | |
155 | 20 | p = p + 1; | |
156 | } | ||
157 | } | ||
158 |
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100 | if (!more) { |
159 |
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80 | PetscCall(SlepcNormAm(n,TrootmI,5,work,rand,&d5)); |
160 | 80 | d5 = PetscPowReal(d5,1.0/5.0); | |
161 |
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80 | a4 = PetscMax(d4,d5); |
162 |
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80 | eta = PetscMin(a3,a4); |
163 |
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80 | if (eta <= xvals[mmax-1]) { |
164 |
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50 | for (j=5;j<mmax;j++) if (eta <= xvals[j]) break; |
165 | 30 | *m = j + 1; | |
166 | 30 | break; | |
167 | } | ||
168 | } | ||
169 |
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70 | if (*s == maxroots) { |
170 | ✗ | PetscCall(PetscInfo(fn,"Too many matrix square roots\n")); | |
171 | ✗ | *m = mmax; /* No good value found so take largest */ | |
172 | ✗ | break; | |
173 | } | ||
174 |
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70 | PetscCall(FNSqrtmSchur(fn,n,Troot,ld,PETSC_FALSE)); |
175 | /* TrootmI = Troot - I */ | ||
176 |
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5320 | for (j=0;j<n;j++) { |
177 |
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5250 | PetscCall(PetscArraycpy(TrootmI+j*ld,Troot+j*ld,PetscMin(j+2,n))); |
178 | 5250 | TrootmI[j+j*ld] -= 1.0; | |
179 | } | ||
180 | 70 | *s = *s + 1; | |
181 | } | ||
182 |
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50 | PetscCall(PetscRandomDestroy(&rand)); |
183 |
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10 | PetscFunctionReturn(PETSC_SUCCESS); |
184 | } | ||
185 | |||
186 | #if !defined(PETSC_USE_COMPLEX) | ||
187 | /* | ||
188 | Computes a^(1/2^s) - 1 accurately, avoiding subtractive cancellation | ||
189 | */ | ||
190 | 10 | static PetscScalar sqrt_obo(PetscScalar a,PetscInt s) | |
191 | { | ||
192 | 10 | PetscScalar val,z0,r; | |
193 | 10 | PetscReal angle; | |
194 | 10 | PetscInt i,n0; | |
195 | |||
196 |
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10 | PetscFunctionBegin; |
197 |
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10 | if (s == 0) val = a-1.0; |
198 | else { | ||
199 | 10 | n0 = s; | |
200 | 10 | angle = PetscAtan2Real(PetscImaginaryPart(a),PetscRealPart(a)); | |
201 |
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10 | if (angle >= PETSC_PI/2.0) { |
202 | ✗ | a = PetscSqrtScalar(a); | |
203 | ✗ | n0 = s - 1; | |
204 | } | ||
205 | 10 | z0 = a - 1.0; | |
206 | 10 | a = PetscSqrtScalar(a); | |
207 | 10 | r = 1.0 + a; | |
208 |
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40 | for (i=0;i<n0-1;i++) { |
209 | 30 | a = PetscSqrtScalar(a); | |
210 | 30 | r = r*(1.0+a); | |
211 | } | ||
212 | 10 | val = z0/r; | |
213 | } | ||
214 |
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10 | PetscFunctionReturn(val); |
215 | } | ||
216 | #endif | ||
217 | |||
218 | /* | ||
219 | Square root of 2x2 matrix T from block diagonal of Schur form. Overwrites T. | ||
220 | */ | ||
221 | 16280 | static PetscErrorCode sqrtm_tbt(PetscScalar *T) | |
222 | { | ||
223 | 16280 | PetscScalar t11,t12,t21,t22,r11,r22; | |
224 | #if !defined(PETSC_USE_COMPLEX) | ||
225 | 5180 | PetscScalar mu; | |
226 | #endif | ||
227 | |||
228 |
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16280 | PetscFunctionBegin; |
229 | 16280 | t11 = T[0]; t21 = T[1]; t12 = T[2]; t22 = T[3]; | |
230 |
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16280 | if (t21 != 0.0) { |
231 | /* Compute square root of 2x2 quasitriangular block */ | ||
232 | /* The algorithm assumes the special structure of real Schur form */ | ||
233 | #if defined(PETSC_USE_COMPLEX) | ||
234 | ✗ | SETERRQ(PETSC_COMM_SELF,PETSC_ERR_PLIB,"Should not reach this line in complex scalars"); | |
235 | #else | ||
236 | 1480 | mu = PetscSqrtReal(-t21*t12); | |
237 |
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1480 | if (t11 > 0.0) r11 = PetscSqrtReal((t11+SlepcAbsEigenvalue(t11,mu))/2.0); |
238 | ✗ | else r11 = mu / PetscSqrtReal(2.0*(-t11+SlepcAbsEigenvalue(t11,mu))); | |
239 | 1480 | T[0] = r11; | |
240 | 1480 | T[1] = t21/(2.0*r11); | |
241 | 1480 | T[2] = t12/(2.0*r11); | |
242 | 1480 | T[3] = r11; | |
243 | #endif | ||
244 | } else { | ||
245 | /* Compute square root of 2x2 upper triangular block */ | ||
246 | 14800 | r11 = PetscSqrtScalar(t11); | |
247 | 14800 | r22 = PetscSqrtScalar(t22); | |
248 | 14800 | T[0] = r11; | |
249 | 14800 | T[2] = t12/(r11+r22); | |
250 | 14800 | T[3] = r22; | |
251 | } | ||
252 |
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16280 | PetscFunctionReturn(PETSC_SUCCESS); |
253 | } | ||
254 | |||
255 | #if defined(PETSC_USE_COMPLEX) | ||
256 | /* | ||
257 | Unwinding number of z | ||
258 | */ | ||
259 | 2460 | static inline PetscReal unwinding(PetscScalar z) | |
260 | { | ||
261 | 2460 | PetscReal u; | |
262 | |||
263 |
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2460 | PetscFunctionBegin; |
264 | 2460 | u = PetscCeilReal((PetscImaginaryPart(z)-PETSC_PI)/(2.0*PETSC_PI)); | |
265 |
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2460 | PetscFunctionReturn(u); |
266 | } | ||
267 | #endif | ||
268 | |||
269 | /* | ||
270 | Power of 2-by-2 upper triangular matrix A. | ||
271 | Returns the (1,2) element of the pth power of A, where p is an arbitrary real number | ||
272 | */ | ||
273 | 2460 | static PetscScalar powerm2by2(PetscScalar A11,PetscScalar A22,PetscScalar A12,PetscReal p) | |
274 | { | ||
275 | 2460 | PetscScalar a1,a2,a1p,a2p,loga1,loga2,w,dd,x12; | |
276 | |||
277 |
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2460 | PetscFunctionBegin; |
278 | 2460 | a1 = A11; | |
279 | 2460 | a2 = A22; | |
280 |
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2460 | if (a1 == a2) { |
281 | 1460 | x12 = p*A12*PetscPowScalarReal(a1,p-1); | |
282 |
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1000 | } else if (PetscAbsScalar(a1) < 0.5*PetscAbsScalar(a2) || PetscAbsScalar(a2) < 0.5*PetscAbsScalar(a1)) { |
283 | 10 | a1p = PetscPowScalarReal(a1,p); | |
284 | 10 | a2p = PetscPowScalarReal(a2,p); | |
285 | 10 | x12 = A12*(a2p-a1p)/(a2-a1); | |
286 | } else { /* Close eigenvalues */ | ||
287 | 990 | loga1 = PetscLogScalar(a1); | |
288 | 990 | loga2 = PetscLogScalar(a2); | |
289 | 990 | w = PetscAtanhScalar((a2-a1)/(a2+a1)); | |
290 | #if defined(PETSC_USE_COMPLEX) | ||
291 | 980 | w += PETSC_i*PETSC_PI*unwinding(loga2-loga1); | |
292 | #endif | ||
293 | 990 | dd = 2.0*PetscExpScalar((loga1+loga2)*p/2.0)*PetscSinhScalar(p*w)/(a2-a1); | |
294 | 990 | x12 = A12*dd; | |
295 | } | ||
296 |
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2460 | PetscFunctionReturn(x12); |
297 | } | ||
298 | |||
299 | /* | ||
300 | Recomputes diagonal blocks of T = X^(1/2^s) - 1 more accurately | ||
301 | */ | ||
302 | 50 | static PetscErrorCode recompute_diag_blocks_sqrt(PetscBLASInt n,PetscScalar *Troot,PetscScalar *T,PetscBLASInt ld,PetscInt *blockStruct,PetscInt s) | |
303 | { | ||
304 | 50 | PetscScalar A[4],P[4],M[4],Z0[4],det; | |
305 | 50 | PetscInt i,j; | |
306 | #if !defined(PETSC_USE_COMPLEX) | ||
307 | 20 | PetscInt last_block=0; | |
308 | 20 | PetscScalar a; | |
309 | #endif | ||
310 | |||
311 |
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50 | PetscFunctionBegin; |
312 |
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3750 | for (j=0;j<n-1;j++) { |
313 | #if !defined(PETSC_USE_COMPLEX) | ||
314 |
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1480 | switch (blockStruct[j]) { |
315 | 370 | case 0: /* Not start of a block */ | |
316 |
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370 | if (last_block != 0) { |
317 | last_block = 0; | ||
318 | } else { /* In a 1x1 block */ | ||
319 | 10 | a = T[j+j*ld]; | |
320 | 10 | Troot[j+j*ld] = sqrt_obo(a,s); | |
321 | } | ||
322 | break; | ||
323 | 1110 | default: /* In a 2x2 block */ | |
324 | 1110 | last_block = blockStruct[j]; | |
325 | #endif | ||
326 |
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3330 | if (s == 0) { |
327 | ✗ | Troot[j+j*ld] = T[j+j*ld]-1.0; | |
328 | ✗ | Troot[j+1+j*ld] = T[j+1+j*ld]; | |
329 | ✗ | Troot[j+(j+1)*ld] = T[j+(j+1)*ld]; | |
330 | ✗ | Troot[j+1+(j+1)*ld] = T[j+1+(j+1)*ld]-1.0; | |
331 | ✗ | continue; | |
332 | } | ||
333 | 3330 | A[0] = T[j+j*ld]; A[1] = T[j+1+j*ld]; A[2] = T[j+(j+1)*ld]; A[3] = T[j+1+(j+1)*ld]; | |
334 |
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3330 | PetscCall(sqrtm_tbt(A)); |
335 | /* Z0 = A - I */ | ||
336 | 3330 | Z0[0] = A[0]-1.0; Z0[1] = A[1]; Z0[2] = A[2]; Z0[3] = A[3]-1.0; | |
337 |
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3330 | if (s == 1) { |
338 | ✗ | Troot[j+j*ld] = Z0[0]; | |
339 | ✗ | Troot[j+1+j*ld] = Z0[1]; | |
340 | ✗ | Troot[j+(j+1)*ld] = Z0[2]; | |
341 | ✗ | Troot[j+1+(j+1)*ld] = Z0[3]; | |
342 | ✗ | continue; | |
343 | } | ||
344 |
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3330 | PetscCall(sqrtm_tbt(A)); |
345 | /* P = A + I */ | ||
346 | 3330 | P[0] = A[0]+1.0; P[1] = A[1]; P[2] = A[2]; P[3] = A[3]+1.0; | |
347 |
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12950 | for (i=0;i<s-2;i++) { |
348 |
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9620 | PetscCall(sqrtm_tbt(A)); |
349 | /* P = P*(I + A) */ | ||
350 | 9620 | M[0] = P[0]*(A[0]+1.0)+P[2]*A[1]; | |
351 | 9620 | M[1] = P[1]*(A[0]+1.0)+P[3]*A[1]; | |
352 | 9620 | M[2] = P[0]*A[2]+P[2]*(A[3]+1.0); | |
353 | 9620 | M[3] = P[1]*A[2]+P[3]*(A[3]+1.0); | |
354 | 9620 | P[0] = M[0]; P[1] = M[1]; P[2] = M[2]; P[3] = M[3]; | |
355 | } | ||
356 | /* Troot(j:j+1,j:j+1) = Z0 / P (via Cramer) */ | ||
357 | 3330 | det = P[0]*P[3]-P[1]*P[2]; | |
358 | 3330 | Troot[j+j*ld] = (Z0[0]*P[3]-P[1]*Z0[2])/det; | |
359 | 3330 | Troot[j+(j+1)*ld] = (P[0]*Z0[2]-Z0[0]*P[2])/det; | |
360 | 3330 | Troot[j+1+j*ld] = (Z0[1]*P[3]-P[1]*Z0[3])/det; | |
361 | 3330 | Troot[j+1+(j+1)*ld] = (P[0]*Z0[3]-Z0[1]*P[2])/det; | |
362 | /* If block is upper triangular recompute the (1,2) element. | ||
363 | Skip when T(j,j) or T(j+1,j+1) < 0 since the implementation of atanh is nonstandard */ | ||
364 |
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3330 | if (T[j+1+j*ld]==0.0 && PetscRealPart(T[j+j*ld])>=0.0 && PetscRealPart(T[j+1+(j+1)*ld])>=0.0) { |
365 | 2460 | Troot[j+(j+1)*ld] = powerm2by2(T[j+j*ld],T[j+1+(j+1)*ld],T[j+(j+1)*ld],1.0/PetscPowInt(2,s)); | |
366 | } | ||
367 | #if !defined(PETSC_USE_COMPLEX) | ||
368 | } | ||
369 | #endif | ||
370 | } | ||
371 | #if !defined(PETSC_USE_COMPLEX) | ||
372 | /* If last diagonal entry is not in a block it will have been missed */ | ||
373 |
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20 | if (blockStruct[n-2] == 0) { |
374 | ✗ | a = T[n-1+(n-1)*ld]; | |
375 | ✗ | Troot[n-1+(n-1)*ld] = sqrt_obo(a,s); | |
376 | } | ||
377 | #endif | ||
378 |
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10 | PetscFunctionReturn(PETSC_SUCCESS); |
379 | } | ||
380 | |||
381 | /* | ||
382 | Nodes x and weights w for n-point Gauss-Legendre quadrature (Q is n*n workspace) | ||
383 | |||
384 | G. H. Golub and J. H. Welsch, Calculation of Gauss quadrature | ||
385 | rules, Math. Comp., 23(106):221-230, 1969. | ||
386 | */ | ||
387 | 50 | static PetscErrorCode gauss_legendre(PetscBLASInt n,PetscScalar *x,PetscScalar *w,PetscScalar *Q) | |
388 | { | ||
389 | 50 | PetscScalar v,a,*work; | |
390 | 50 | PetscReal *eig,dummy; | |
391 | 50 | PetscBLASInt k,ld=n,lwork,info; | |
392 | #if defined(PETSC_USE_COMPLEX) | ||
393 | 30 | PetscReal *rwork,rdummy; | |
394 | #endif | ||
395 | |||
396 |
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50 | PetscFunctionBegin; |
397 |
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50 | PetscCall(PetscArrayzero(Q,n*n)); |
398 |
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320 | for (k=1;k<n;k++) { |
399 | 270 | v = k/PetscSqrtReal(4.0*k*k-1.0); | |
400 | 270 | Q[k+(k-1)*n] = v; | |
401 | 270 | Q[(k-1)+k*n] = v; | |
402 | } | ||
403 | |||
404 | /* workspace query and memory allocation */ | ||
405 | 50 | lwork = -1; | |
406 | #if defined(PETSC_USE_COMPLEX) | ||
407 |
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30 | PetscCallBLAS("LAPACKsyev",LAPACKsyev_("V","L",&n,Q,&ld,&dummy,&a,&lwork,&rdummy,&info)); |
408 |
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30 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPart(a),&lwork)); |
409 |
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30 | PetscCall(PetscMalloc3(n,&eig,lwork,&work,PetscMax(1,3*n-2),&rwork)); |
410 | #else | ||
411 |
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20 | PetscCallBLAS("LAPACKsyev",LAPACKsyev_("V","L",&n,Q,&ld,&dummy,&a,&lwork,&info)); |
412 |
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20 | PetscCall(PetscBLASIntCast((PetscInt)a,&lwork)); |
413 |
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20 | PetscCall(PetscMalloc2(n,&eig,lwork,&work)); |
414 | #endif | ||
415 | |||
416 | /* compute eigendecomposition */ | ||
417 | #if defined(PETSC_USE_COMPLEX) | ||
418 |
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30 | PetscCallBLAS("LAPACKsyev",LAPACKsyev_("V","L",&n,Q,&ld,eig,work,&lwork,rwork,&info)); |
419 | #else | ||
420 |
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20 | PetscCallBLAS("LAPACKsyev",LAPACKsyev_("V","L",&n,Q,&ld,eig,work,&lwork,&info)); |
421 | #endif | ||
422 |
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50 | SlepcCheckLapackInfo("syev",info); |
423 | |||
424 |
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370 | for (k=0;k<n;k++) { |
425 | 320 | x[k] = eig[k]; | |
426 | 320 | w[k] = 2.0*Q[k*n]*Q[k*n]; | |
427 | } | ||
428 | #if defined(PETSC_USE_COMPLEX) | ||
429 |
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30 | PetscCall(PetscFree3(eig,work,rwork)); |
430 | #else | ||
431 |
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20 | PetscCall(PetscFree2(eig,work)); |
432 | #endif | ||
433 |
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50 | PetscCall(PetscLogFlops(9.0*n*n*n+2.0*n*n*n)); |
434 |
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50 | PetscFunctionReturn(PETSC_SUCCESS); |
435 | } | ||
436 | |||
437 | /* | ||
438 | Pade approximation to log(1 + T) via partial fractions | ||
439 | */ | ||
440 | 50 | static PetscErrorCode pade_approx(PetscBLASInt n,PetscScalar *T,PetscScalar *L,PetscBLASInt ld,PetscInt m,PetscScalar *work) | |
441 | { | ||
442 | 50 | PetscScalar *K,*W,*nodes,*wts; | |
443 | 50 | PetscBLASInt *ipiv,info,mm; | |
444 | 50 | PetscInt i,j,k; | |
445 | |||
446 |
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50 | PetscFunctionBegin; |
447 | 50 | K = work; | |
448 | 50 | W = work+n*n; | |
449 | 50 | nodes = work+2*n*n; | |
450 | 50 | wts = work+2*n*n+m; | |
451 | 50 | ipiv = (PetscBLASInt*)(work+2*n*n+2*m); | |
452 |
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50 | PetscCall(PetscBLASIntCast(m,&mm)); |
453 |
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50 | PetscCall(gauss_legendre(mm,nodes,wts,L)); |
454 | /* Convert from [-1,1] to [0,1] */ | ||
455 |
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370 | for (i=0;i<m;i++) { |
456 | 320 | nodes[i] = (nodes[i]+1.0)/2.0; | |
457 | 320 | wts[i] = wts[i]/2.0; | |
458 | } | ||
459 |
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50 | PetscCall(PetscArrayzero(L,n*n)); |
460 |
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370 | for (k=0;k<m;k++) { |
461 |
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1824320 | for (i=0;i<n;i++) for (j=0;j<n;j++) K[i+j*ld] = nodes[k]*T[i+j*ld]; |
462 |
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24320 | for (i=0;i<n;i++) K[i+i*ld] += 1.0; |
463 |
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1824320 | for (i=0;i<n;i++) for (j=0;j<n;j++) W[i+j*ld] = T[i+j*ld]; |
464 |
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320 | PetscCallBLAS("LAPACKgesv",LAPACKgesv_(&n,&n,K,&n,ipiv,W,&n,&info)); |
465 |
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1824320 | for (i=0;i<n;i++) for (j=0;j<n;j++) L[i+j*ld] += wts[k]*W[i+j*ld]; |
466 | } | ||
467 |
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10 | PetscFunctionReturn(PETSC_SUCCESS); |
468 | } | ||
469 | |||
470 | /* | ||
471 | Recomputes diagonal blocks of T = X^(1/2^s) - 1 more accurately | ||
472 | */ | ||
473 | 50 | static PetscErrorCode recompute_diag_blocks_log(PetscBLASInt n,PetscScalar *L,PetscScalar *T,PetscBLASInt ld,PetscInt *blockStruct) | |
474 | { | ||
475 | 50 | PetscScalar a1,a2,a12,loga1,loga2,z,dd; | |
476 | 50 | PetscInt j; | |
477 | #if !defined(PETSC_USE_COMPLEX) | ||
478 | 20 | PetscInt last_block=0; | |
479 | 20 | PetscScalar f,t; | |
480 | #endif | ||
481 | |||
482 |
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50 | PetscFunctionBegin; |
483 |
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3750 | for (j=0;j<n-1;j++) { |
484 | #if !defined(PETSC_USE_COMPLEX) | ||
485 |
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1480 | switch (blockStruct[j]) { |
486 | 370 | case 0: /* Not start of a block */ | |
487 |
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370 | if (last_block != 0) { |
488 | last_block = 0; | ||
489 | } else { /* In a 1x1 block */ | ||
490 | 10 | L[j+j*ld] = PetscLogScalar(T[j+j*ld]); | |
491 | } | ||
492 | break; | ||
493 | 740 | case 1: /* Start of upper-tri block */ | |
494 | 740 | last_block = 1; | |
495 | #endif | ||
496 | 2960 | a1 = T[j+j*ld]; | |
497 | 2960 | a2 = T[j+1+(j+1)*ld]; | |
498 | 2960 | loga1 = PetscLogScalar(a1); | |
499 | 2960 | loga2 = PetscLogScalar(a2); | |
500 | 2960 | L[j+j*ld] = loga1; | |
501 | 2960 | L[j+1+(j+1)*ld] = loga2; | |
502 |
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2960 | if ((PetscRealPart(a1)<0.0 && PetscImaginaryPart(a1)==0.0) || (PetscRealPart(a2)<0.0 && PetscImaginaryPart(a1)==0.0)) { |
503 | /* Problems with 2 x 2 formula for (1,2) block | ||
504 | since atanh is nonstandard, just redo diagonal part */ | ||
505 | ✗ | continue; | |
506 | } | ||
507 |
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2960 | if (a1 == a2) { |
508 | 1460 | a12 = T[j+(j+1)*ld]/a1; | |
509 |
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1500 | } else if (PetscAbsScalar(a1)<0.5*PetscAbsScalar(a2) || PetscAbsScalar(a2)<0.5*PetscAbsScalar(a1)) { |
510 | 10 | a12 = T[j+(j+1)*ld]*(loga2-loga1)/(a2-a1); | |
511 | } else { /* Close eigenvalues */ | ||
512 | 1490 | z = (a2-a1)/(a2+a1); | |
513 | 1490 | dd = 2.0*PetscAtanhScalar(z); | |
514 | #if defined(PETSC_USE_COMPLEX) | ||
515 | 1480 | dd += 2.0*PETSC_i*PETSC_PI*unwinding(loga2-loga1); | |
516 | #endif | ||
517 | 1490 | dd /= (a2-a1); | |
518 | 1490 | a12 = T[j+(j+1)*ld]*dd; | |
519 | } | ||
520 | 2960 | L[j+(j+1)*ld] = a12; | |
521 | #if !defined(PETSC_USE_COMPLEX) | ||
522 | 740 | break; | |
523 | 370 | case 2: /* Start of quasi-tri block */ | |
524 | 370 | last_block = 2; | |
525 | 370 | f = 0.5*PetscLogScalar(T[j+j*ld]*T[j+j*ld]-T[j+(j+1)*ld]*T[j+1+j*ld]); | |
526 | 370 | t = PetscAtan2Real(PetscSqrtScalar(-T[j+(j+1)*ld]*T[j+1+j*ld]),T[j+j*ld])/PetscSqrtScalar(-T[j+(j+1)*ld]*T[j+1+j*ld]); | |
527 | 370 | L[j+j*ld] = f; | |
528 | 370 | L[j+1+j*ld] = t*T[j+1+j*ld]; | |
529 | 370 | L[j+(j+1)*ld] = t*T[j+(j+1)*ld]; | |
530 | 370 | L[j+1+(j+1)*ld] = f; | |
531 | } | ||
532 | #endif | ||
533 | } | ||
534 |
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50 | PetscFunctionReturn(PETSC_SUCCESS); |
535 | } | ||
536 | /* | ||
537 | * Matrix logarithm implementation based on algorithm and matlab code by N. Higham and co-authors | ||
538 | * | ||
539 | * H. Al-Mohy and N. J. Higham, "Improved inverse scaling and squaring | ||
540 | * algorithms for the matrix logarithm", SIAM J. Sci. Comput. 34(4):C153-C169, 2012. | ||
541 | */ | ||
542 | 50 | static PetscErrorCode FNLogmPade(FN fn,PetscBLASInt n,PetscScalar *T,PetscBLASInt ld,PetscBool firstonly) | |
543 | { | ||
544 | 50 | PetscBLASInt k,sdim,lwork,info; | |
545 | 50 | PetscScalar *wr,*wi=NULL,*W,*Q,*Troot,*L,*work,one=1.0,zero=0.0,alpha; | |
546 | 50 | PetscInt i,j,s=0,m=0,*blockformat; | |
547 | #if defined(PETSC_USE_COMPLEX) | ||
548 | 30 | PetscReal *rwork; | |
549 | #endif | ||
550 | |||
551 |
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50 | PetscFunctionBegin; |
552 | 50 | lwork = 3*n*n; /* gees needs only 5*n, but work is also passed to FNlogm_params */ | |
553 |
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50 | k = firstonly? 1: n; |
554 | |||
555 | /* compute Schur decomposition A*Q = Q*T */ | ||
556 |
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50 | PetscCall(PetscCalloc7(n,&wr,n*k,&W,n*n,&Q,n*n,&Troot,n*n,&L,lwork,&work,n-1,&blockformat)); |
557 | #if !defined(PETSC_USE_COMPLEX) | ||
558 |
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20 | PetscCall(PetscMalloc1(n,&wi)); |
559 |
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20 | PetscCallBLAS("LAPACKgees",LAPACKgees_("V","N",NULL,&n,T,&ld,&sdim,wr,wi,Q,&ld,work,&lwork,NULL,&info)); |
560 | #else | ||
561 |
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30 | PetscCall(PetscMalloc1(n,&rwork)); |
562 |
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30 | PetscCallBLAS("LAPACKgees",LAPACKgees_("V","N",NULL,&n,T,&ld,&sdim,wr,Q,&ld,work,&lwork,rwork,NULL,&info)); |
563 | #endif | ||
564 |
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50 | SlepcCheckLapackInfo("gees",info); |
565 | |||
566 | #if !defined(PETSC_USE_COMPLEX) | ||
567 | /* check for negative real eigenvalues */ | ||
568 |
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1520 | for (i=0;i<n;i++) { |
569 |
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1500 | PetscCheck(wr[i]>=0.0 || wi[i]!=0.0,PETSC_COMM_SELF,PETSC_ERR_SUP,"Matrix has negative real eigenvalue; rerun with complex scalars"); |
570 | } | ||
571 | #endif | ||
572 | |||
573 | /* get block structure of Schur factor */ | ||
574 |
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50 | PetscCall(qtri_struct(n,T,ld,blockformat)); |
575 | |||
576 | /* get parameters */ | ||
577 |
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50 | PetscCall(FNlogm_params(fn,n,T,ld,wr,wi,100,&s,&m,Troot,work)); |
578 | |||
579 | /* compute Troot - I = T(1/2^s) - I more accurately */ | ||
580 |
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50 | PetscCall(recompute_diag_blocks_sqrt(n,Troot,T,ld,blockformat,s)); |
581 | |||
582 | /* compute Pade approximant */ | ||
583 |
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50 | PetscCall(pade_approx(n,Troot,L,ld,m,work)); |
584 | |||
585 | /* scale back up, L = 2^s * L */ | ||
586 | 50 | alpha = PetscPowInt(2,s); | |
587 |
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285050 | for (i=0;i<n;i++) for (j=0;j<n;j++) L[i+j*ld] *= alpha; |
588 | |||
589 | /* recompute diagonal blocks */ | ||
590 |
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50 | PetscCall(recompute_diag_blocks_log(n,L,T,ld,blockformat)); |
591 | |||
592 | /* backtransform B = Q*L*Q' */ | ||
593 |
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50 | PetscCallBLAS("BLASgemm",BLASgemm_("N","C",&n,&k,&n,&one,L,&ld,Q,&ld,&zero,W,&ld)); |
594 |
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50 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n,&k,&n,&one,Q,&ld,W,&ld,&zero,T,&ld)); |
595 | |||
596 | /* flop count: Schur decomposition, and backtransform */ | ||
597 |
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50 | PetscCall(PetscLogFlops(25.0*n*n*n+4.0*n*n*k)); |
598 | |||
599 |
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50 | PetscCall(PetscFree7(wr,W,Q,Troot,L,work,blockformat)); |
600 | #if !defined(PETSC_USE_COMPLEX) | ||
601 |
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20 | PetscCall(PetscFree(wi)); |
602 | #else | ||
603 |
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30 | PetscCall(PetscFree(rwork)); |
604 | #endif | ||
605 |
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10 | PetscFunctionReturn(PETSC_SUCCESS); |
606 | } | ||
607 | |||
608 | 25 | static PetscErrorCode FNEvaluateFunctionMat_Log_Higham(FN fn,Mat A,Mat B) | |
609 | { | ||
610 | 25 | PetscBLASInt n = 0; | |
611 | 25 | PetscScalar *T; | |
612 | 25 | PetscInt m; | |
613 | |||
614 |
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25 | PetscFunctionBegin; |
615 |
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25 | if (A!=B) PetscCall(MatCopy(A,B,SAME_NONZERO_PATTERN)); |
616 |
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25 | PetscCall(MatDenseGetArray(B,&T)); |
617 |
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25 | PetscCall(MatGetSize(A,&m,NULL)); |
618 |
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25 | PetscCall(PetscBLASIntCast(m,&n)); |
619 |
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25 | PetscCall(FNLogmPade(fn,n,T,n,PETSC_FALSE)); |
620 |
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25 | PetscCall(MatDenseRestoreArray(B,&T)); |
621 |
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5 | PetscFunctionReturn(PETSC_SUCCESS); |
622 | } | ||
623 | |||
624 | 25 | static PetscErrorCode FNEvaluateFunctionMatVec_Log_Higham(FN fn,Mat A,Vec v) | |
625 | { | ||
626 | 25 | PetscBLASInt n = 0; | |
627 | 25 | PetscScalar *T; | |
628 | 25 | PetscInt m; | |
629 | 25 | Mat B; | |
630 | |||
631 |
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25 | PetscFunctionBegin; |
632 |
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25 | PetscCall(FN_AllocateWorkMat(fn,A,&B)); |
633 |
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25 | PetscCall(MatDenseGetArray(B,&T)); |
634 |
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25 | PetscCall(MatGetSize(A,&m,NULL)); |
635 |
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25 | PetscCall(PetscBLASIntCast(m,&n)); |
636 |
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25 | PetscCall(FNLogmPade(fn,n,T,n,PETSC_TRUE)); |
637 |
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25 | PetscCall(MatDenseRestoreArray(B,&T)); |
638 |
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25 | PetscCall(MatGetColumnVector(B,v,0)); |
639 |
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25 | PetscCall(FN_FreeWorkMat(fn,&B)); |
640 |
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5 | PetscFunctionReturn(PETSC_SUCCESS); |
641 | } | ||
642 | |||
643 | 45 | static PetscErrorCode FNView_Log(FN fn,PetscViewer viewer) | |
644 | { | ||
645 | 45 | PetscBool isascii; | |
646 | 45 | char str[50]; | |
647 | 45 | const char *methodname[] = { | |
648 | "scaling & squaring, [m/m] Pade approximant (Higham)" | ||
649 | }; | ||
650 | 45 | const int nmeth=PETSC_STATIC_ARRAY_LENGTH(methodname); | |
651 | |||
652 |
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45 | PetscFunctionBegin; |
653 |
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45 | PetscCall(PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii)); |
654 |
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45 | if (isascii) { |
655 |
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45 | if (fn->beta==(PetscScalar)1.0) { |
656 |
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10 | if (fn->alpha==(PetscScalar)1.0) PetscCall(PetscViewerASCIIPrintf(viewer," logarithm: log(x)\n")); |
657 | else { | ||
658 | ✗ | PetscCall(SlepcSNPrintfScalar(str,sizeof(str),fn->alpha,PETSC_TRUE)); | |
659 | ✗ | PetscCall(PetscViewerASCIIPrintf(viewer," logarithm: log(%s*x)\n",str)); | |
660 | } | ||
661 | } else { | ||
662 |
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35 | PetscCall(SlepcSNPrintfScalar(str,sizeof(str),fn->beta,PETSC_TRUE)); |
663 |
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35 | if (fn->alpha==(PetscScalar)1.0) PetscCall(PetscViewerASCIIPrintf(viewer," logarithm: %s*log(x)\n",str)); |
664 | else { | ||
665 |
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35 | PetscCall(PetscViewerASCIIPrintf(viewer," logarithm: %s",str)); |
666 |
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35 | PetscCall(PetscViewerASCIIUseTabs(viewer,PETSC_FALSE)); |
667 |
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35 | PetscCall(SlepcSNPrintfScalar(str,sizeof(str),fn->alpha,PETSC_TRUE)); |
668 |
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35 | PetscCall(PetscViewerASCIIPrintf(viewer,"*log(%s*x)\n",str)); |
669 |
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35 | PetscCall(PetscViewerASCIIUseTabs(viewer,PETSC_TRUE)); |
670 | } | ||
671 | } | ||
672 |
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45 | if (fn->method<nmeth) PetscCall(PetscViewerASCIIPrintf(viewer," computing matrix functions with: %s\n",methodname[fn->method])); |
673 | } | ||
674 |
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9 | PetscFunctionReturn(PETSC_SUCCESS); |
675 | } | ||
676 | |||
677 | 35 | SLEPC_EXTERN PetscErrorCode FNCreate_Log(FN fn) | |
678 | { | ||
679 |
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35 | PetscFunctionBegin; |
680 | 35 | fn->ops->evaluatefunction = FNEvaluateFunction_Log; | |
681 | 35 | fn->ops->evaluatederivative = FNEvaluateDerivative_Log; | |
682 | 35 | fn->ops->evaluatefunctionmat[0] = FNEvaluateFunctionMat_Log_Higham; | |
683 | 35 | fn->ops->evaluatefunctionmatvec[0] = FNEvaluateFunctionMatVec_Log_Higham; | |
684 | 35 | fn->ops->view = FNView_Log; | |
685 |
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35 | PetscFunctionReturn(PETSC_SUCCESS); |
686 | } | ||
687 |