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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 | Exponential function exp(x) | ||
12 | */ | ||
13 | |||
14 | #include <slepc/private/fnimpl.h> /*I "slepcfn.h" I*/ | ||
15 | #include <slepcblaslapack.h> | ||
16 | |||
17 | 28238 | static PetscErrorCode FNEvaluateFunction_Exp(FN fn,PetscScalar x,PetscScalar *y) | |
18 | { | ||
19 |
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28238 | PetscFunctionBegin; |
20 | 28238 | *y = PetscExpScalar(x); | |
21 |
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28238 | PetscFunctionReturn(PETSC_SUCCESS); |
22 | } | ||
23 | |||
24 | 8907 | static PetscErrorCode FNEvaluateDerivative_Exp(FN fn,PetscScalar x,PetscScalar *y) | |
25 | { | ||
26 |
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8907 | PetscFunctionBegin; |
27 | 8907 | *y = PetscExpScalar(x); | |
28 |
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8907 | PetscFunctionReturn(PETSC_SUCCESS); |
29 | } | ||
30 | |||
31 | #define MAX_PADE 6 | ||
32 | |||
33 | 160 | static PetscErrorCode FNEvaluateFunctionMat_Exp_Pade(FN fn,Mat A,Mat B) | |
34 | { | ||
35 | 160 | PetscBLASInt n=0,ld,ld2,*ipiv,info,inc=1; | |
36 | 160 | PetscInt m,j,k,sexp; | |
37 | 160 | PetscBool odd; | |
38 | 160 | const PetscInt p=MAX_PADE; | |
39 | 160 | PetscReal c[MAX_PADE+1],s,*rwork; | |
40 | 160 | PetscScalar scale,mone=-1.0,one=1.0,two=2.0,zero=0.0; | |
41 | 160 | PetscScalar *Ba,*As,*A2,*Q,*P,*W,*aux; | |
42 | 160 | const PetscScalar *Aa; | |
43 | |||
44 |
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160 | PetscFunctionBegin; |
45 |
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160 | PetscCall(MatDenseGetArrayRead(A,&Aa)); |
46 |
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160 | PetscCall(MatDenseGetArray(B,&Ba)); |
47 |
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160 | PetscCall(MatGetSize(A,&m,NULL)); |
48 |
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160 | PetscCall(PetscBLASIntCast(m,&n)); |
49 | 160 | ld = n; | |
50 | 160 | ld2 = ld*ld; | |
51 | 160 | P = Ba; | |
52 |
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160 | PetscCall(PetscMalloc6(m*m,&Q,m*m,&W,m*m,&As,m*m,&A2,ld,&rwork,ld,&ipiv)); |
53 |
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160 | PetscCall(PetscArraycpy(As,Aa,ld2)); |
54 | |||
55 | /* Pade' coefficients */ | ||
56 | 160 | c[0] = 1.0; | |
57 |
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1120 | for (k=1;k<=p;k++) c[k] = c[k-1]*(p+1-k)/(k*(2*p+1-k)); |
58 | |||
59 | /* Scaling */ | ||
60 | 160 | s = LAPACKlange_("I",&n,&n,As,&ld,rwork); | |
61 |
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160 | PetscCall(PetscLogFlops(1.0*n*n)); |
62 |
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160 | if (s>0.5) { |
63 |
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160 | sexp = PetscMax(0,(int)(PetscLogReal(s)/PetscLogReal(2.0))+2); |
64 | 160 | scale = PetscPowRealInt(2.0,-sexp); | |
65 |
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160 | PetscCallBLAS("BLASscal",BLASscal_(&ld2,&scale,As,&inc)); |
66 |
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160 | PetscCall(PetscLogFlops(1.0*n*n)); |
67 | } else sexp = 0; | ||
68 | |||
69 | /* Horner evaluation */ | ||
70 |
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160 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n,&n,&n,&one,As,&ld,As,&ld,&zero,A2,&ld)); |
71 |
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160 | PetscCall(PetscLogFlops(2.0*n*n*n)); |
72 |
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160 | PetscCall(PetscArrayzero(Q,ld2)); |
73 |
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160 | PetscCall(PetscArrayzero(P,ld2)); |
74 |
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6160 | for (j=0;j<n;j++) { |
75 | 6000 | Q[j+j*ld] = c[p]; | |
76 | 6000 | P[j+j*ld] = c[p-1]; | |
77 | } | ||
78 | |||
79 | odd = PETSC_TRUE; | ||
80 |
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960 | for (k=p-1;k>0;k--) { |
81 |
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800 | if (odd) { |
82 |
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480 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n,&n,&n,&one,Q,&ld,A2,&ld,&zero,W,&ld)); |
83 | 480 | SlepcSwap(Q,W,aux); | |
84 |
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18480 | for (j=0;j<n;j++) Q[j+j*ld] += c[k-1]; |
85 | odd = PETSC_FALSE; | ||
86 | } else { | ||
87 |
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320 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n,&n,&n,&one,P,&ld,A2,&ld,&zero,W,&ld)); |
88 | 320 | SlepcSwap(P,W,aux); | |
89 |
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12320 | for (j=0;j<n;j++) P[j+j*ld] += c[k-1]; |
90 | odd = PETSC_TRUE; | ||
91 | } | ||
92 |
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800 | PetscCall(PetscLogFlops(2.0*n*n*n)); |
93 | } | ||
94 | /*if (odd) { | ||
95 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n,&n,&n,&one,Q,&ld,As,&ld,&zero,W,&ld)); | ||
96 | SlepcSwap(Q,W,aux); | ||
97 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&ld2,&mone,P,&inc,Q,&inc)); | ||
98 | PetscCallBLAS("LAPACKgesv",LAPACKgesv_(&n,&n,Q,&ld,ipiv,P,&ld,&info)); | ||
99 | SlepcCheckLapackInfo("gesv",info); | ||
100 | PetscCallBLAS("BLASscal",BLASscal_(&ld2,&two,P,&inc)); | ||
101 | for (j=0;j<n;j++) P[j+j*ld] += 1.0; | ||
102 | PetscCallBLAS("BLASscal",BLASscal_(&ld2,&mone,P,&inc)); | ||
103 | } else {*/ | ||
104 |
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160 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n,&n,&n,&one,P,&ld,As,&ld,&zero,W,&ld)); |
105 | 160 | SlepcSwap(P,W,aux); | |
106 |
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160 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&ld2,&mone,P,&inc,Q,&inc)); |
107 |
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160 | PetscCallBLAS("LAPACKgesv",LAPACKgesv_(&n,&n,Q,&ld,ipiv,P,&ld,&info)); |
108 |
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160 | SlepcCheckLapackInfo("gesv",info); |
109 |
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160 | PetscCallBLAS("BLASscal",BLASscal_(&ld2,&two,P,&inc)); |
110 |
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6160 | for (j=0;j<n;j++) P[j+j*ld] += 1.0; |
111 | /*}*/ | ||
112 |
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160 | PetscCall(PetscLogFlops(2.0*n*n*n+2.0*n*n*n/3.0+4.0*n*n)); |
113 | |||
114 |
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680 | for (k=1;k<=sexp;k++) { |
115 |
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520 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n,&n,&n,&one,P,&ld,P,&ld,&zero,W,&ld)); |
116 |
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520 | PetscCall(PetscArraycpy(P,W,ld2)); |
117 | } | ||
118 |
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160 | if (P!=Ba) PetscCall(PetscArraycpy(Ba,P,ld2)); |
119 |
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160 | PetscCall(PetscLogFlops(2.0*n*n*n*sexp)); |
120 | |||
121 |
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160 | PetscCall(PetscFree6(Q,W,As,A2,rwork,ipiv)); |
122 |
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160 | PetscCall(MatDenseRestoreArrayRead(A,&Aa)); |
123 |
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160 | PetscCall(MatDenseRestoreArray(B,&Ba)); |
124 |
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32 | PetscFunctionReturn(PETSC_SUCCESS); |
125 | } | ||
126 | |||
127 | #if defined(PETSC_HAVE_COMPLEX) | ||
128 | /* | ||
129 | * Set scaling factor (s) and Pade degree (k,m) | ||
130 | */ | ||
131 | 512 | static PetscErrorCode sexpm_params(PetscReal nrm,PetscInt *s,PetscInt *k,PetscInt *m) | |
132 | { | ||
133 |
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512 | PetscFunctionBegin; |
134 |
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512 | if (nrm>1) { |
135 |
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352 | if (nrm<200) {*s = 4; *k = 5; *m = *k-1;} |
136 |
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40 | else if (nrm<1e4) {*s = 4; *k = 4; *m = *k+1;} |
137 | ✗ | else if (nrm<1e6) {*s = 4; *k = 3; *m = *k+1;} | |
138 | ✗ | else if (nrm<1e9) {*s = 3; *k = 3; *m = *k+1;} | |
139 | ✗ | else if (nrm<1e11) {*s = 2; *k = 3; *m = *k+1;} | |
140 | ✗ | else if (nrm<1e12) {*s = 2; *k = 2; *m = *k+1;} | |
141 | ✗ | else if (nrm<1e14) {*s = 2; *k = 1; *m = *k+1;} | |
142 | ✗ | else {*s = 1; *k = 1; *m = *k+1;} | |
143 | } else { /* nrm<1 */ | ||
144 |
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160 | if (nrm>0.5) {*s = 4; *k = 4; *m = *k-1;} |
145 |
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120 | else if (nrm>0.3) {*s = 3; *k = 4; *m = *k-1;} |
146 |
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80 | else if (nrm>0.15) {*s = 2; *k = 4; *m = *k-1;} |
147 |
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80 | else if (nrm>0.07) {*s = 1; *k = 4; *m = *k-1;} |
148 |
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80 | else if (nrm>0.01) {*s = 0; *k = 4; *m = *k-1;} |
149 |
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80 | else if (nrm>3e-4) {*s = 0; *k = 3; *m = *k-1;} |
150 |
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80 | else if (nrm>1e-5) {*s = 0; *k = 3; *m = 0;} |
151 |
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80 | else if (nrm>1e-8) {*s = 0; *k = 2; *m = 0;} |
152 | 80 | else {*s = 0; *k = 1; *m = 0;} | |
153 | } | ||
154 |
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512 | PetscFunctionReturn(PETSC_SUCCESS); |
155 | } | ||
156 | |||
157 | /* | ||
158 | * Partial fraction form coefficients. | ||
159 | * If query, the function returns the size necessary to store the coefficients. | ||
160 | */ | ||
161 | 432 | static PetscErrorCode getcoeffs(PetscInt k,PetscInt m,PetscComplex *r,PetscComplex *q,PetscComplex *remain,PetscBool query) | |
162 | { | ||
163 | 432 | PetscInt i; | |
164 | 432 | const PetscComplex /* m == k+1 */ | |
165 | 432 | p1r4[5] = {-1.582680186458572e+01 - 2.412564578224361e+01*PETSC_i, | |
166 | 432 | -1.582680186458572e+01 + 2.412564578224361e+01*PETSC_i, | |
167 | 432 | 1.499984465975511e+02 + 6.804227952202417e+01*PETSC_i, | |
168 | 432 | 1.499984465975511e+02 - 6.804227952202417e+01*PETSC_i, | |
169 | -2.733432894659307e+02 }, | ||
170 | 432 | p1q4[5] = { 3.655694325463550e+00 + 6.543736899360086e+00*PETSC_i, | |
171 | 432 | 3.655694325463550e+00 - 6.543736899360086e+00*PETSC_i, | |
172 | 432 | 5.700953298671832e+00 + 3.210265600308496e+00*PETSC_i, | |
173 | 432 | 5.700953298671832e+00 - 3.210265600308496e+00*PETSC_i, | |
174 | 6.286704751729261e+00 }, | ||
175 | 432 | p1r3[4] = {-1.130153999597152e+01 + 1.247167585025031e+01*PETSC_i, | |
176 | 432 | -1.130153999597152e+01 - 1.247167585025031e+01*PETSC_i, | |
177 | 432 | 1.330153999597152e+01 - 6.007173273704750e+01*PETSC_i, | |
178 | 432 | 1.330153999597152e+01 + 6.007173273704750e+01*PETSC_i}, | |
179 | 432 | p1q3[4] = { 3.212806896871536e+00 + 4.773087433276636e+00*PETSC_i, | |
180 | 432 | 3.212806896871536e+00 - 4.773087433276636e+00*PETSC_i, | |
181 | 432 | 4.787193103128464e+00 + 1.567476416895212e+00*PETSC_i, | |
182 | 432 | 4.787193103128464e+00 - 1.567476416895212e+00*PETSC_i}, | |
183 | 432 | p1r2[3] = { 7.648749087422928e+00 + 4.171640244747463e+00*PETSC_i, | |
184 | 432 | 7.648749087422928e+00 - 4.171640244747463e+00*PETSC_i, | |
185 | -1.829749817484586e+01 }, | ||
186 | 432 | p1q2[3] = { 2.681082873627756e+00 + 3.050430199247411e+00*PETSC_i, | |
187 | 432 | 2.681082873627756e+00 - 3.050430199247411e+00*PETSC_i, | |
188 | 3.637834252744491e+00 }, | ||
189 | 432 | p1r1[2] = { 1.000000000000000e+00 - 3.535533905932738e+00*PETSC_i, | |
190 | 432 | 1.000000000000000e+00 + 3.535533905932738e+00*PETSC_i}, | |
191 | 432 | p1q1[2] = { 2.000000000000000e+00 + 1.414213562373095e+00*PETSC_i, | |
192 | 432 | 2.000000000000000e+00 - 1.414213562373095e+00*PETSC_i}; | |
193 | 432 | const PetscComplex /* m == k-1 */ | |
194 | 432 | m1r5[4] = {-1.423367961376821e+02 - 1.385465094833037e+01*PETSC_i, | |
195 | 432 | -1.423367961376821e+02 + 1.385465094833037e+01*PETSC_i, | |
196 | 432 | 2.647367961376822e+02 - 4.814394493714596e+02*PETSC_i, | |
197 | 432 | 2.647367961376822e+02 + 4.814394493714596e+02*PETSC_i}, | |
198 | 432 | m1q5[4] = { 5.203941240131764e+00 + 5.805856841805367e+00*PETSC_i, | |
199 | 432 | 5.203941240131764e+00 - 5.805856841805367e+00*PETSC_i, | |
200 | 432 | 6.796058759868242e+00 + 1.886649260140217e+00*PETSC_i, | |
201 | 432 | 6.796058759868242e+00 - 1.886649260140217e+00*PETSC_i}, | |
202 | 432 | m1r4[3] = { 2.484269593165883e+01 + 7.460342395992306e+01*PETSC_i, | |
203 | 432 | 2.484269593165883e+01 - 7.460342395992306e+01*PETSC_i, | |
204 | -1.734353918633177e+02 }, | ||
205 | 432 | m1q4[3] = { 4.675757014491557e+00 + 3.913489560603711e+00*PETSC_i, | |
206 | 432 | 4.675757014491557e+00 - 3.913489560603711e+00*PETSC_i, | |
207 | 5.648485971016893e+00 }, | ||
208 | 432 | m1r3[2] = { 2.533333333333333e+01 - 2.733333333333333e+01*PETSC_i, | |
209 | 432 | 2.533333333333333e+01 + 2.733333333333333e+01*PETSC_i}, | |
210 | 432 | m1q3[2] = { 4.000000000000000e+00 + 2.000000000000000e+00*PETSC_i, | |
211 | 432 | 4.000000000000000e+00 - 2.000000000000000e+00*PETSC_i}; | |
212 | 432 | const PetscScalar /* m == k-1 */ | |
213 | 432 | m1remain5[2] = { 2.000000000000000e-01, 9.800000000000000e+00}, | |
214 | 432 | m1remain4[2] = {-2.500000000000000e-01, -7.750000000000000e+00}, | |
215 | 432 | m1remain3[2] = { 3.333333333333333e-01, 5.666666666666667e+00}, | |
216 | 432 | m1remain2[2] = {-0.5, -3.5}, | |
217 | 432 | remain3[4] = {1.0/6.0, 1.0/2.0, 1, 1}, | |
218 | 432 | remain2[3] = {1.0/2.0, 1, 1}; | |
219 | |||
220 |
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432 | PetscFunctionBegin; |
221 |
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432 | if (query) { /* query about buffer's size */ |
222 |
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216 | if (m==k+1) { |
223 | 20 | *remain = 0; | |
224 | 20 | *r = *q = k+1; | |
225 |
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20 | PetscFunctionReturn(PETSC_SUCCESS); /* quick return */ |
226 | } | ||
227 |
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196 | if (m==k-1) { |
228 | 196 | *remain = 2; | |
229 |
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196 | if (k==5) *r = *q = 4; |
230 |
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40 | else if (k==4) *r = *q = 3; |
231 | ✗ | else if (k==3) *r = *q = 2; | |
232 | ✗ | else if (k==2) *r = *q = 1; | |
233 | } | ||
234 |
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196 | if (m==0) { |
235 | ✗ | *r = *q = 0; | |
236 | ✗ | *remain = k+1; | |
237 | } | ||
238 | } else { | ||
239 |
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216 | if (m==k+1) { |
240 |
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20 | if (k==4) { |
241 |
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120 | for (i=0;i<5;i++) { r[i] = p1r4[i]; q[i] = p1q4[i]; } |
242 | ✗ | } else if (k==3) { | |
243 | ✗ | for (i=0;i<4;i++) { r[i] = p1r3[i]; q[i] = p1q3[i]; } | |
244 | ✗ | } else if (k==2) { | |
245 | ✗ | for (i=0;i<3;i++) { r[i] = p1r2[i]; q[i] = p1q2[i]; } | |
246 | ✗ | } else if (k==1) { | |
247 | ✗ | for (i=0;i<2;i++) { r[i] = p1r1[i]; q[i] = p1q1[i]; } | |
248 | } | ||
249 |
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20 | PetscFunctionReturn(PETSC_SUCCESS); /* quick return */ |
250 | } | ||
251 |
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196 | if (m==k-1) { |
252 |
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196 | if (k==5) { |
253 |
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780 | for (i=0;i<4;i++) { r[i] = m1r5[i]; q[i] = m1q5[i]; } |
254 |
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468 | for (i=0;i<2;i++) remain[i] = m1remain5[i]; |
255 |
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40 | } else if (k==4) { |
256 |
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160 | for (i=0;i<3;i++) { r[i] = m1r4[i]; q[i] = m1q4[i]; } |
257 |
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120 | for (i=0;i<2;i++) remain[i] = m1remain4[i]; |
258 | ✗ | } else if (k==3) { | |
259 | ✗ | for (i=0;i<2;i++) { r[i] = m1r3[i]; q[i] = m1q3[i]; remain[i] = m1remain3[i]; } | |
260 | ✗ | } else if (k==2) { | |
261 | ✗ | r[0] = -13.5; q[0] = 3; | |
262 | ✗ | for (i=0;i<2;i++) remain[i] = m1remain2[i]; | |
263 | } | ||
264 | } | ||
265 |
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196 | if (m==0) { |
266 | ✗ | r = q = NULL; | |
267 | ✗ | if (k==3) { | |
268 | ✗ | for (i=0;i<4;i++) remain[i] = remain3[i]; | |
269 | ✗ | } else if (k==2) { | |
270 | ✗ | for (i=0;i<3;i++) remain[i] = remain2[i]; | |
271 | } | ||
272 | } | ||
273 | } | ||
274 |
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72 | PetscFunctionReturn(PETSC_SUCCESS); |
275 | } | ||
276 | |||
277 | /* | ||
278 | * Product form coefficients. | ||
279 | * If query, the function returns the size necessary to store the coefficients. | ||
280 | */ | ||
281 | 432 | static PetscErrorCode getcoeffsproduct(PetscInt k,PetscInt m,PetscComplex *p,PetscComplex *q,PetscComplex *mult,PetscBool query) | |
282 | { | ||
283 | 432 | PetscInt i; | |
284 | 432 | const PetscComplex /* m == k+1 */ | |
285 | 432 | p1p4[4] = {-5.203941240131764e+00 + 5.805856841805367e+00*PETSC_i, | |
286 | 432 | -5.203941240131764e+00 - 5.805856841805367e+00*PETSC_i, | |
287 | 432 | -6.796058759868242e+00 + 1.886649260140217e+00*PETSC_i, | |
288 | 432 | -6.796058759868242e+00 - 1.886649260140217e+00*PETSC_i}, | |
289 | 432 | p1q4[5] = { 3.655694325463550e+00 + 6.543736899360086e+00*PETSC_i, | |
290 | 432 | 3.655694325463550e+00 - 6.543736899360086e+00*PETSC_i, | |
291 | 6.286704751729261e+00 , | ||
292 | 432 | 5.700953298671832e+00 + 3.210265600308496e+00*PETSC_i, | |
293 | 432 | 5.700953298671832e+00 - 3.210265600308496e+00*PETSC_i}, | |
294 | 432 | p1p3[3] = {-4.675757014491557e+00 + 3.913489560603711e+00*PETSC_i, | |
295 | 432 | -4.675757014491557e+00 - 3.913489560603711e+00*PETSC_i, | |
296 | -5.648485971016893e+00 }, | ||
297 | 432 | p1q3[4] = { 3.212806896871536e+00 + 4.773087433276636e+00*PETSC_i, | |
298 | 432 | 3.212806896871536e+00 - 4.773087433276636e+00*PETSC_i, | |
299 | 432 | 4.787193103128464e+00 + 1.567476416895212e+00*PETSC_i, | |
300 | 432 | 4.787193103128464e+00 - 1.567476416895212e+00*PETSC_i}, | |
301 | 432 | p1p2[2] = {-4.00000000000000e+00 + 2.000000000000000e+00*PETSC_i, | |
302 | 432 | -4.00000000000000e+00 - 2.000000000000000e+00*PETSC_i}, | |
303 | 432 | p1q2[3] = { 2.681082873627756e+00 + 3.050430199247411e+00*PETSC_i, | |
304 | 432 | 2.681082873627756e+00 - 3.050430199247411e+00*PETSC_i, | |
305 | 3.637834252744491e+00 }, | ||
306 | 432 | p1q1[2] = { 2.000000000000000e+00 + 1.414213562373095e+00*PETSC_i, | |
307 | 432 | 2.000000000000000e+00 - 1.414213562373095e+00*PETSC_i}; | |
308 | 432 | const PetscComplex /* m == k-1 */ | |
309 | 432 | m1p5[5] = {-3.655694325463550e+00 + 6.543736899360086e+00*PETSC_i, | |
310 | 432 | -3.655694325463550e+00 - 6.543736899360086e+00*PETSC_i, | |
311 | -6.286704751729261e+00 , | ||
312 | 432 | -5.700953298671832e+00 + 3.210265600308496e+00*PETSC_i, | |
313 | 432 | -5.700953298671832e+00 - 3.210265600308496e+00*PETSC_i}, | |
314 | 432 | m1q5[4] = { 5.203941240131764e+00 + 5.805856841805367e+00*PETSC_i, | |
315 | 432 | 5.203941240131764e+00 - 5.805856841805367e+00*PETSC_i, | |
316 | 432 | 6.796058759868242e+00 + 1.886649260140217e+00*PETSC_i, | |
317 | 432 | 6.796058759868242e+00 - 1.886649260140217e+00*PETSC_i}, | |
318 | 432 | m1p4[4] = {-3.212806896871536e+00 + 4.773087433276636e+00*PETSC_i, | |
319 | 432 | -3.212806896871536e+00 - 4.773087433276636e+00*PETSC_i, | |
320 | 432 | -4.787193103128464e+00 + 1.567476416895212e+00*PETSC_i, | |
321 | 432 | -4.787193103128464e+00 - 1.567476416895212e+00*PETSC_i}, | |
322 | 432 | m1q4[3] = { 4.675757014491557e+00 + 3.913489560603711e+00*PETSC_i, | |
323 | 432 | 4.675757014491557e+00 - 3.913489560603711e+00*PETSC_i, | |
324 | 5.648485971016893e+00 }, | ||
325 | 432 | m1p3[3] = {-2.681082873627756e+00 + 3.050430199247411e+00*PETSC_i, | |
326 | 432 | -2.681082873627756e+00 - 3.050430199247411e+00*PETSC_i, | |
327 | -3.637834252744491e+00 }, | ||
328 | 432 | m1q3[2] = { 4.000000000000000e+00 + 2.000000000000000e+00*PETSC_i, | |
329 | 432 | 4.000000000000000e+00 - 2.000000000000001e+00*PETSC_i}, | |
330 | 432 | m1p2[2] = {-2.000000000000000e+00 + 1.414213562373095e+00*PETSC_i, | |
331 | 432 | -2.000000000000000e+00 - 1.414213562373095e+00*PETSC_i}; | |
332 | |||
333 |
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432 | PetscFunctionBegin; |
334 |
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432 | if (query) { |
335 |
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216 | if (m == k+1) { |
336 | 20 | *mult = 1; | |
337 | 20 | *p = k; | |
338 | 20 | *q = k+1; | |
339 |
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20 | PetscFunctionReturn(PETSC_SUCCESS); |
340 | } | ||
341 |
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196 | if (m==k-1) { |
342 | 196 | *mult = 1; | |
343 | 196 | *p = k; | |
344 | 196 | *q = k-1; | |
345 | } | ||
346 | } else { | ||
347 |
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216 | if (m == k+1) { |
348 | 20 | *mult = PetscPowInt(-1,m); | |
349 | 20 | *mult *= m; | |
350 |
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20 | if (k==4) { |
351 |
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100 | for (i=0;i<4;i++) { p[i] = p1p4[i]; q[i] = p1q4[i]; } |
352 | 20 | q[4] = p1q4[4]; | |
353 | ✗ | } else if (k==3) { | |
354 | ✗ | for (i=0;i<3;i++) { p[i] = p1p3[i]; q[i] = p1q3[i]; } | |
355 | ✗ | q[3] = p1q3[3]; | |
356 | ✗ | } else if (k==2) { | |
357 | ✗ | for (i=0;i<2;i++) { p[i] = p1p2[i]; q[i] = p1q2[i]; } | |
358 | ✗ | q[2] = p1q2[2]; | |
359 | ✗ | } else if (k==1) { | |
360 | ✗ | p[0] = -3; | |
361 | ✗ | for (i=0;i<2;i++) q[i] = p1q1[i]; | |
362 | } | ||
363 |
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20 | PetscFunctionReturn(PETSC_SUCCESS); |
364 | } | ||
365 |
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196 | if (m==k-1) { |
366 | 196 | *mult = PetscPowInt(-1,m); | |
367 | 196 | *mult /= k; | |
368 |
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196 | if (k==5) { |
369 |
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780 | for (i=0;i<4;i++) { p[i] = m1p5[i]; q[i] = m1q5[i]; } |
370 | 156 | p[4] = m1p5[4]; | |
371 |
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40 | } else if (k==4) { |
372 |
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160 | for (i=0;i<3;i++) { p[i] = m1p4[i]; q[i] = m1q4[i]; } |
373 | 40 | p[3] = m1p4[3]; | |
374 | ✗ | } else if (k==3) { | |
375 | ✗ | for (i=0;i<2;i++) { p[i] = m1p3[i]; q[i] = m1q3[i]; } | |
376 | ✗ | p[2] = m1p3[2]; | |
377 | ✗ | } else if (k==2) { | |
378 | ✗ | for (i=0;i<2;i++) p[i] = m1p2[i]; | |
379 | ✗ | q[0] = 3; | |
380 | } | ||
381 | } | ||
382 | } | ||
383 |
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72 | PetscFunctionReturn(PETSC_SUCCESS); |
384 | } | ||
385 | #endif /* PETSC_HAVE_COMPLEX */ | ||
386 | |||
387 | #if defined(PETSC_USE_COMPLEX) | ||
388 | 100 | static PetscErrorCode getisreal(PetscInt n,PetscComplex *a,PetscBool *result) | |
389 | { | ||
390 | 100 | PetscInt i; | |
391 | |||
392 |
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100 | PetscFunctionBegin; |
393 | 100 | *result=PETSC_TRUE; | |
394 |
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296100 | for (i=0;i<n&&*result;i++) { |
395 |
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296000 | if (PetscImaginaryPartComplex(a[i])) *result=PETSC_FALSE; |
396 | } | ||
397 |
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100 | PetscFunctionReturn(PETSC_SUCCESS); |
398 | } | ||
399 | #endif | ||
400 | |||
401 | /* | ||
402 | * Matrix exponential implementation based on algorithm and matlab code by Stefan Guettel | ||
403 | * and Yuji Nakatsukasa | ||
404 | * | ||
405 | * Stefan Guettel and Yuji Nakatsukasa, "Scaled and Squared Subdiagonal Pade | ||
406 | * Approximation for the Matrix Exponential", | ||
407 | * SIAM J. Matrix Anal. Appl. 37(1):145-170, 2016. | ||
408 | * https://doi.org/10.1137/15M1027553 | ||
409 | */ | ||
410 | 480 | static PetscErrorCode FNEvaluateFunctionMat_Exp_GuettelNakatsukasa(FN fn,Mat A,Mat B) | |
411 | { | ||
412 | #if !defined(PETSC_HAVE_COMPLEX) | ||
413 | PetscFunctionBegin; | ||
414 | SETERRQ(PETSC_COMM_SELF,PETSC_ERR_SUP,"This function requires C99 or C++ complex support"); | ||
415 | #else | ||
416 | 480 | PetscInt i,j,n_,s,k,m,mod; | |
417 | 480 | PetscBLASInt n=0,n2=0,irsize=0,rsizediv2,ipsize=0,iremainsize=0,info,*piv,minlen,lwork=0,one=1; | |
418 | 480 | PetscReal nrm,shift=0.0; | |
419 | #if defined(PETSC_USE_COMPLEX) | ||
420 | 240 | PetscReal *rwork=NULL; | |
421 | #endif | ||
422 | 480 | PetscComplex *As,*RR,*RR2,*expmA,*expmA2,*Maux,*Maux2,rsize,*r,psize,*p,remainsize,*remainterm,*rootp,*rootq,mult=0.0,scale,cone=1.0,czero=0.0,*aux; | |
423 | 480 | PetscScalar *Ba,*Ba2,*sMaux,*wr,*wi,expshift,sone=1.0,szero=0.0,*saux; | |
424 | 480 | const PetscScalar *Aa; | |
425 | 480 | PetscBool isreal,flg; | |
426 | 480 | PetscBLASInt query=-1; | |
427 | 480 | PetscScalar work1,*work; | |
428 | |||
429 |
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480 | PetscFunctionBegin; |
430 |
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480 | PetscCall(MatGetSize(A,&n_,NULL)); |
431 |
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480 | PetscCall(PetscBLASIntCast(n_,&n)); |
432 |
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480 | PetscCall(MatDenseGetArrayRead(A,&Aa)); |
433 |
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480 | PetscCall(MatDenseGetArray(B,&Ba)); |
434 | 480 | Ba2 = Ba; | |
435 |
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480 | PetscCall(PetscBLASIntCast(n*n,&n2)); |
436 | |||
437 |
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480 | PetscCall(PetscMalloc2(n2,&sMaux,n2,&Maux)); |
438 | 480 | Maux2 = Maux; | |
439 |
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480 | PetscCall(PetscOptionsGetReal(NULL,NULL,"-fn_expm_estimated_eig",&shift,&flg)); |
440 |
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480 | if (!flg) { |
441 |
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480 | PetscCall(PetscMalloc2(n,&wr,n,&wi)); |
442 |
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480 | PetscCall(PetscArraycpy(sMaux,Aa,n2)); |
443 | /* estimate rightmost eigenvalue and shift A with it */ | ||
444 | #if !defined(PETSC_USE_COMPLEX) | ||
445 |
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240 | PetscCallBLAS("LAPACKgeev",LAPACKgeev_("N","N",&n,sMaux,&n,wr,wi,NULL,&n,NULL,&n,&work1,&query,&info)); |
446 |
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240 | SlepcCheckLapackInfo("geev",info); |
447 |
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240 | PetscCall(PetscBLASIntCast((PetscInt)work1,&lwork)); |
448 |
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240 | PetscCall(PetscMalloc1(lwork,&work)); |
449 |
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240 | PetscCallBLAS("LAPACKgeev",LAPACKgeev_("N","N",&n,sMaux,&n,wr,wi,NULL,&n,NULL,&n,work,&lwork,&info)); |
450 |
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240 | PetscCall(PetscFree(work)); |
451 | #else | ||
452 |
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240 | PetscCall(PetscArraycpy(Maux,Aa,n2)); |
453 |
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240 | PetscCallBLAS("LAPACKgeev",LAPACKgeev_("N","N",&n,Maux,&n,wr,NULL,&n,NULL,&n,&work1,&query,rwork,&info)); |
454 |
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240 | SlepcCheckLapackInfo("geev",info); |
455 |
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240 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPart(work1),&lwork)); |
456 |
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240 | PetscCall(PetscMalloc2(2*n,&rwork,lwork,&work)); |
457 |
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240 | PetscCallBLAS("LAPACKgeev",LAPACKgeev_("N","N",&n,Maux,&n,wr,NULL,&n,NULL,&n,work,&lwork,rwork,&info)); |
458 |
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240 | PetscCall(PetscFree2(rwork,work)); |
459 | #endif | ||
460 |
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480 | SlepcCheckLapackInfo("geev",info); |
461 |
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480 | PetscCall(PetscLogFlops(25.0*n*n*n+(n*n*n)/3.0+1.0*n*n*n)); |
462 | |||
463 | 480 | shift = PetscRealPart(wr[0]); | |
464 |
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13600 | for (i=1;i<n;i++) { |
465 |
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13120 | if (PetscRealPart(wr[i]) > shift) shift = PetscRealPart(wr[i]); |
466 | } | ||
467 |
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480 | PetscCall(PetscFree2(wr,wi)); |
468 | } | ||
469 | /* shift so that largest real part is (about) 0 */ | ||
470 |
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480 | PetscCall(PetscArraycpy(sMaux,Aa,n2)); |
471 |
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480 | if (shift) { |
472 |
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14080 | for (i=0;i<n;i++) sMaux[i+i*n] -= shift; |
473 |
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480 | PetscCall(PetscLogFlops(1.0*n)); |
474 | } | ||
475 | #if defined(PETSC_USE_COMPLEX) | ||
476 |
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240 | PetscCall(PetscArraycpy(Maux,Aa,n2)); |
477 |
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240 | if (shift) { |
478 |
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7040 | for (i=0;i<n;i++) Maux[i+i*n] -= shift; |
479 |
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240 | PetscCall(PetscLogFlops(1.0*n)); |
480 | } | ||
481 | #endif | ||
482 | |||
483 | /* estimate norm(A) and select the scaling factor */ | ||
484 | 480 | nrm = LAPACKlange_("O",&n,&n,sMaux,&n,NULL); | |
485 |
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480 | PetscCall(PetscLogFlops(1.0*n*n)); |
486 |
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480 | PetscCall(sexpm_params(nrm,&s,&k,&m)); |
487 |
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480 | if (s==0 && k==1 && m==0) { /* exp(A) = I+A to eps! */ |
488 |
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80 | if (shift) expshift = PetscExpReal(shift); |
489 |
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880 | for (i=0;i<n;i++) sMaux[i+i*n] += 1.0; |
490 |
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80 | if (shift) { |
491 |
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80 | PetscCallBLAS("BLASscal",BLASscal_(&n2,&expshift,sMaux,&one)); |
492 |
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80 | PetscCall(PetscLogFlops(1.0*(n+n2))); |
493 | ✗ | } else PetscCall(PetscLogFlops(1.0*n)); | |
494 |
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80 | PetscCall(PetscArraycpy(Ba,sMaux,n2)); |
495 |
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80 | PetscCall(PetscFree2(sMaux,Maux)); |
496 |
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80 | PetscCall(MatDenseRestoreArrayRead(A,&Aa)); |
497 |
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80 | PetscCall(MatDenseRestoreArray(B,&Ba)); |
498 |
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16 | PetscFunctionReturn(PETSC_SUCCESS); /* quick return */ |
499 | } | ||
500 | |||
501 |
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400 | PetscCall(PetscMalloc4(n2,&expmA,n2,&As,n2,&RR,n,&piv)); |
502 | 400 | expmA2 = expmA; RR2 = RR; | |
503 | /* scale matrix */ | ||
504 | #if !defined(PETSC_USE_COMPLEX) | ||
505 |
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592200 | for (i=0;i<n2;i++) { |
506 | 592000 | As[i] = sMaux[i]; | |
507 | } | ||
508 | #else | ||
509 |
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200 | PetscCall(PetscArraycpy(As,sMaux,n2)); |
510 | #endif | ||
511 | 400 | scale = 1.0/PetscPowRealInt(2.0,s); | |
512 |
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400 | PetscCallBLAS("BLASCOMPLEXscal",BLASCOMPLEXscal_(&n2,&scale,As,&one)); |
513 |
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400 | PetscCall(SlepcLogFlopsComplex(1.0*n2)); |
514 | |||
515 | /* evaluate Pade approximant (partial fraction or product form) */ | ||
516 |
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400 | if (fn->method==3 || !m) { /* partial fraction */ |
517 |
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200 | PetscCall(getcoeffs(k,m,&rsize,&psize,&remainsize,PETSC_TRUE)); |
518 |
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200 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPartComplex(rsize),&irsize)); |
519 |
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200 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPartComplex(psize),&ipsize)); |
520 |
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200 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPartComplex(remainsize),&iremainsize)); |
521 |
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200 | PetscCall(PetscMalloc3(irsize,&r,ipsize,&p,iremainsize,&remainterm)); |
522 |
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200 | PetscCall(getcoeffs(k,m,r,p,remainterm,PETSC_FALSE)); |
523 | |||
524 |
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200 | PetscCall(PetscArrayzero(expmA,n2)); |
525 | #if !defined(PETSC_USE_COMPLEX) | ||
526 | 100 | isreal = PETSC_TRUE; | |
527 | #else | ||
528 |
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100 | PetscCall(getisreal(n2,Maux,&isreal)); |
529 | #endif | ||
530 |
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200 | if (isreal) { |
531 | 200 | rsizediv2 = irsize/2; | |
532 |
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560 | for (i=0;i<rsizediv2;i++) { /* use partial fraction to get R(As) */ |
533 |
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360 | PetscCall(PetscArraycpy(Maux,As,n2)); |
534 |
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360 | PetscCall(PetscArrayzero(RR,n2)); |
535 |
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12760 | for (j=0;j<n;j++) { |
536 | 12400 | Maux[j+j*n] -= p[2*i]; | |
537 | 12400 | RR[j+j*n] = r[2*i]; | |
538 | } | ||
539 |
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360 | PetscCallBLAS("LAPACKCOMPLEXgesv",LAPACKCOMPLEXgesv_(&n,&n,Maux,&n,piv,RR,&n,&info)); |
540 |
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360 | SlepcCheckLapackInfo("gesv",info); |
541 |
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1180360 | for (j=0;j<n2;j++) { |
542 | 1180000 | expmA[j] += RR[j] + PetscConj(RR[j]); | |
543 | } | ||
544 | /* loop(n) + gesv + loop(n2) */ | ||
545 |
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360 | PetscCall(SlepcLogFlopsComplex(1.0*n+(2.0*n*n*n/3.0+2.0*n*n*n)+2.0*n2)); |
546 | } | ||
547 | |||
548 | 200 | mod = ipsize % 2; | |
549 |
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200 | if (mod) { |
550 |
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60 | PetscCall(PetscArraycpy(Maux,As,n2)); |
551 |
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60 | PetscCall(PetscArrayzero(RR,n2)); |
552 |
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660 | for (j=0;j<n;j++) { |
553 | 600 | Maux[j+j*n] -= p[ipsize-1]; | |
554 | 600 | RR[j+j*n] = r[irsize-1]; | |
555 | } | ||
556 |
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60 | PetscCallBLAS("LAPACKCOMPLEXgesv",LAPACKCOMPLEXgesv_(&n,&n,Maux,&n,piv,RR,&n,&info)); |
557 |
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60 | SlepcCheckLapackInfo("gesv",info); |
558 |
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6060 | for (j=0;j<n2;j++) { |
559 | 6000 | expmA[j] += RR[j]; | |
560 | } | ||
561 |
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60 | PetscCall(SlepcLogFlopsComplex(1.0*n+(2.0*n*n*n/3.0+2.0*n*n*n)+1.0*n2)); |
562 | } | ||
563 | } else { /* complex */ | ||
564 | ✗ | for (i=0;i<irsize;i++) { /* use partial fraction to get R(As) */ | |
565 | ✗ | PetscCall(PetscArraycpy(Maux,As,n2)); | |
566 | ✗ | PetscCall(PetscArrayzero(RR,n2)); | |
567 | ✗ | for (j=0;j<n;j++) { | |
568 | ✗ | Maux[j+j*n] -= p[i]; | |
569 | ✗ | RR[j+j*n] = r[i]; | |
570 | } | ||
571 | ✗ | PetscCallBLAS("LAPACKCOMPLEXgesv",LAPACKCOMPLEXgesv_(&n,&n,Maux,&n,piv,RR,&n,&info)); | |
572 | ✗ | SlepcCheckLapackInfo("gesv",info); | |
573 | ✗ | for (j=0;j<n2;j++) { | |
574 | ✗ | expmA[j] += RR[j]; | |
575 | } | ||
576 | ✗ | PetscCall(SlepcLogFlopsComplex(1.0*n+(2.0*n*n*n/3.0+2.0*n*n*n)+1.0*n2)); | |
577 | } | ||
578 | } | ||
579 |
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560 | for (i=0;i<iremainsize;i++) { |
580 |
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360 | if (!i) { |
581 |
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180 | PetscCall(PetscArrayzero(RR,n2)); |
582 |
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6380 | for (j=0;j<n;j++) { |
583 | 6200 | RR[j+j*n] = remainterm[iremainsize-1]; | |
584 | } | ||
585 | } else { | ||
586 |
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180 | PetscCall(PetscArraycpy(RR,As,n2)); |
587 |
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180 | for (j=1;j<i;j++) { |
588 | ✗ | PetscCallBLAS("BLASCOMPLEXgemm",BLASCOMPLEXgemm_("N","N",&n,&n,&n,&cone,RR,&n,RR,&n,&czero,Maux,&n)); | |
589 | ✗ | SlepcSwap(RR,Maux,aux); | |
590 | ✗ | PetscCall(SlepcLogFlopsComplex(2.0*n*n*n)); | |
591 | } | ||
592 |
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180 | PetscCallBLAS("BLASCOMPLEXscal",BLASCOMPLEXscal_(&n2,&remainterm[iremainsize-1-i],RR,&one)); |
593 |
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180 | PetscCall(SlepcLogFlopsComplex(1.0*n2)); |
594 | } | ||
595 |
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1180360 | for (j=0;j<n2;j++) { |
596 | 1180000 | expmA[j] += RR[j]; | |
597 | } | ||
598 |
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360 | PetscCall(SlepcLogFlopsComplex(1.0*n2)); |
599 | } | ||
600 |
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200 | PetscCall(PetscFree3(r,p,remainterm)); |
601 | } else { /* product form, default */ | ||
602 |
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200 | PetscCall(getcoeffsproduct(k,m,&rsize,&psize,&mult,PETSC_TRUE)); |
603 |
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200 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPartComplex(rsize),&irsize)); |
604 |
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200 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPartComplex(psize),&ipsize)); |
605 |
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200 | PetscCall(PetscMalloc2(irsize,&rootp,ipsize,&rootq)); |
606 |
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200 | PetscCall(getcoeffsproduct(k,m,rootp,rootq,&mult,PETSC_FALSE)); |
607 | |||
608 |
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200 | PetscCall(PetscArrayzero(expmA,n2)); |
609 |
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6600 | for (i=0;i<n;i++) { /* initialize */ |
610 | 6400 | expmA[i+i*n] = 1.0; | |
611 | } | ||
612 | 200 | minlen = PetscMin(irsize,ipsize); | |
613 |
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960 | for (i=0;i<minlen;i++) { |
614 |
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760 | PetscCall(PetscArraycpy(RR,As,n2)); |
615 |
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25960 | for (j=0;j<n;j++) { |
616 | 25200 | RR[j+j*n] -= rootp[i]; | |
617 | } | ||
618 |
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760 | PetscCallBLAS("BLASCOMPLEXgemm",BLASCOMPLEXgemm_("N","N",&n,&n,&n,&cone,RR,&n,expmA,&n,&czero,Maux,&n)); |
619 | 760 | SlepcSwap(expmA,Maux,aux); | |
620 |
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760 | PetscCall(PetscArraycpy(RR,As,n2)); |
621 |
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25960 | for (j=0;j<n;j++) { |
622 | 25200 | RR[j+j*n] -= rootq[i]; | |
623 | } | ||
624 |
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760 | PetscCallBLAS("LAPACKCOMPLEXgesv",LAPACKCOMPLEXgesv_(&n,&n,RR,&n,piv,expmA,&n,&info)); |
625 |
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760 | SlepcCheckLapackInfo("gesv",info); |
626 | /* loop(n) + gemm + loop(n) + gesv */ | ||
627 |
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760 | PetscCall(SlepcLogFlopsComplex(1.0*n+(2.0*n*n*n)+1.0*n+(2.0*n*n*n/3.0+2.0*n*n*n))); |
628 | } | ||
629 | /* extra numerator */ | ||
630 |
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380 | for (i=minlen;i<irsize;i++) { |
631 |
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180 | PetscCall(PetscArraycpy(RR,As,n2)); |
632 |
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6380 | for (j=0;j<n;j++) { |
633 | 6200 | RR[j+j*n] -= rootp[i]; | |
634 | } | ||
635 |
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180 | PetscCallBLAS("BLASCOMPLEXgemm",BLASCOMPLEXgemm_("N","N",&n,&n,&n,&cone,RR,&n,expmA,&n,&czero,Maux,&n)); |
636 | 180 | SlepcSwap(expmA,Maux,aux); | |
637 |
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180 | PetscCall(SlepcLogFlopsComplex(1.0*n+2.0*n*n*n)); |
638 | } | ||
639 | /* extra denominator */ | ||
640 |
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220 | for (i=minlen;i<ipsize;i++) { |
641 |
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20 | PetscCall(PetscArraycpy(RR,As,n2)); |
642 |
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220 | for (j=0;j<n;j++) RR[j+j*n] -= rootq[i]; |
643 |
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20 | PetscCallBLAS("LAPACKCOMPLEXgesv",LAPACKCOMPLEXgesv_(&n,&n,RR,&n,piv,expmA,&n,&info)); |
644 |
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20 | SlepcCheckLapackInfo("gesv",info); |
645 |
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20 | PetscCall(SlepcLogFlopsComplex(1.0*n+(2.0*n*n*n/3.0+2.0*n*n*n))); |
646 | } | ||
647 |
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200 | PetscCallBLAS("BLASCOMPLEXscal",BLASCOMPLEXscal_(&n2,&mult,expmA,&one)); |
648 |
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200 | PetscCall(SlepcLogFlopsComplex(1.0*n2)); |
649 |
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200 | PetscCall(PetscFree2(rootp,rootq)); |
650 | } | ||
651 | |||
652 | #if !defined(PETSC_USE_COMPLEX) | ||
653 |
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592200 | for (i=0;i<n2;i++) { |
654 | 592000 | Ba2[i] = PetscRealPartComplex(expmA[i]); | |
655 | } | ||
656 | #else | ||
657 |
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200 | PetscCall(PetscArraycpy(Ba2,expmA,n2)); |
658 | #endif | ||
659 | |||
660 | /* perform repeated squaring */ | ||
661 |
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1960 | for (i=0;i<s;i++) { /* final squaring */ |
662 |
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1560 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n,&n,&n,&sone,Ba2,&n,Ba2,&n,&szero,sMaux,&n)); |
663 | 1560 | SlepcSwap(Ba2,sMaux,saux); | |
664 |
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1560 | PetscCall(PetscLogFlops(2.0*n*n*n)); |
665 | } | ||
666 |
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400 | if (Ba2!=Ba) { |
667 |
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40 | PetscCall(PetscArraycpy(Ba,Ba2,n2)); |
668 | 40 | sMaux = Ba2; | |
669 | } | ||
670 |
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400 | if (shift) { |
671 | 400 | expshift = PetscExpReal(shift); | |
672 |
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400 | PetscCallBLAS("BLASscal",BLASscal_(&n2,&expshift,Ba,&one)); |
673 |
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400 | PetscCall(PetscLogFlops(1.0*n2)); |
674 | } | ||
675 | |||
676 | /* restore pointers */ | ||
677 | 400 | Maux = Maux2; expmA = expmA2; RR = RR2; | |
678 |
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400 | PetscCall(PetscFree2(sMaux,Maux)); |
679 |
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400 | PetscCall(PetscFree4(expmA,As,RR,piv)); |
680 |
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400 | PetscCall(MatDenseRestoreArrayRead(A,&Aa)); |
681 |
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400 | PetscCall(MatDenseRestoreArray(B,&Ba)); |
682 |
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80 | PetscFunctionReturn(PETSC_SUCCESS); |
683 | #endif | ||
684 | } | ||
685 | |||
686 | #define SMALLN 100 | ||
687 | |||
688 | /* | ||
689 | * Function needed to compute optimal parameters (required workspace is 3*n*n) | ||
690 | */ | ||
691 | 4590 | static PetscInt ell(PetscBLASInt n,PetscScalar *A,PetscReal coeff,PetscInt m,PetscScalar *work,PetscRandom rand) | |
692 | { | ||
693 | 4590 | PetscScalar *Ascaled=work; | |
694 | 4590 | PetscReal nrm,alpha,beta,rwork[1]; | |
695 | 4590 | PetscInt t; | |
696 | 4590 | PetscBLASInt i,j; | |
697 | |||
698 |
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4590 | PetscFunctionBegin; |
699 | 4590 | beta = PetscPowReal(coeff,1.0/(2*m+1)); | |
700 |
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115632 | for (i=0;i<n;i++) |
701 |
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6614592 | for (j=0;j<n;j++) |
702 | 6503550 | Ascaled[i+j*n] = beta*PetscAbsScalar(A[i+j*n]); | |
703 | 4590 | nrm = LAPACKlange_("O",&n,&n,A,&n,rwork); | |
704 |
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4590 | PetscCall(PetscLogFlops(2.0*n*n)); |
705 |
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|
4590 | PetscCall(SlepcNormAm(n,Ascaled,2*m+1,work+n*n,rand,&alpha)); |
706 | 4590 | alpha /= nrm; | |
707 |
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4590 | t = PetscMax((PetscInt)PetscCeilReal(PetscLogReal(2.0*alpha/PETSC_MACHINE_EPSILON)/PetscLogReal(2.0)/(2*m)),0); |
708 |
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902 | PetscFunctionReturn(t); |
709 | } | ||
710 | |||
711 | /* | ||
712 | * Compute scaling parameter (s) and order of Pade approximant (m) (required workspace is 4*n*n) | ||
713 | */ | ||
714 | 4588 | static PetscErrorCode expm_params(PetscInt n,PetscScalar **Apowers,PetscInt *s,PetscInt *m,PetscScalar *work) | |
715 | { | ||
716 | 4588 | PetscScalar sfactor,sone=1.0,szero=0.0,*A=Apowers[0],*Ascaled; | |
717 | 4588 | PetscReal d4,d6,d8,d10,eta1,eta3,eta4,eta5,rwork[1]; | |
718 | 4588 | PetscBLASInt n_=0,n2,one=1; | |
719 | 4588 | PetscRandom rand; | |
720 | 4588 | const PetscReal coeff[5] = { 9.92063492063492e-06, 9.94131285136576e-11, /* backward error function */ | |
721 | 2.22819456055356e-16, 1.69079293431187e-22, 8.82996160201868e-36 }; | ||
722 | 4588 | const PetscReal theta[5] = { 1.495585217958292e-002, /* m = 3 */ | |
723 | 2.539398330063230e-001, /* m = 5 */ | ||
724 | 9.504178996162932e-001, /* m = 7 */ | ||
725 | 2.097847961257068e+000, /* m = 9 */ | ||
726 | 5.371920351148152e+000 }; /* m = 13 */ | ||
727 | |||
728 |
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4588 | PetscFunctionBegin; |
729 | 4588 | *s = 0; | |
730 | 4588 | *m = 13; | |
731 |
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4588 | PetscCall(PetscBLASIntCast(n,&n_)); |
732 |
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|
4588 | PetscCall(PetscRandomCreate(PETSC_COMM_SELF,&rand)); |
733 | 4588 | d4 = PetscPowReal(LAPACKlange_("O",&n_,&n_,Apowers[2],&n_,rwork),1.0/4.0); | |
734 |
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|
4588 | if (d4==0.0) { /* safeguard for the case A = 0 */ |
735 | ✗ | *m = 3; | |
736 | ✗ | goto done; | |
737 | } | ||
738 | 4588 | d6 = PetscPowReal(LAPACKlange_("O",&n_,&n_,Apowers[3],&n_,rwork),1.0/6.0); | |
739 |
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4588 | PetscCall(PetscLogFlops(2.0*n*n)); |
740 |
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4588 | eta1 = PetscMax(d4,d6); |
741 |
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4588 | if (eta1<=theta[0] && !ell(n_,A,coeff[0],3,work,rand)) { |
742 | 1115 | *m = 3; | |
743 | 1115 | goto done; | |
744 | } | ||
745 |
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3473 | if (eta1<=theta[1] && !ell(n_,A,coeff[1],5,work,rand)) { |
746 | 1000 | *m = 5; | |
747 | 1000 | goto done; | |
748 | } | ||
749 |
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2473 | if (n<SMALLN) { |
750 |
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2333 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,Apowers[2],&n_,Apowers[2],&n_,&szero,work,&n_)); |
751 | 2333 | d8 = PetscPowReal(LAPACKlange_("O",&n_,&n_,work,&n_,rwork),1.0/8.0); | |
752 |
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2333 | PetscCall(PetscLogFlops(2.0*n*n*n+1.0*n*n)); |
753 | } else { | ||
754 |
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140 | PetscCall(SlepcNormAm(n_,Apowers[2],2,work,rand,&d8)); |
755 | 140 | d8 = PetscPowReal(d8,1.0/8.0); | |
756 | } | ||
757 |
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2473 | eta3 = PetscMax(d6,d8); |
758 |
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2473 | if (eta3<=theta[2] && !ell(n_,A,coeff[2],7,work,rand)) { |
759 | 114 | *m = 7; | |
760 | 114 | goto done; | |
761 | } | ||
762 |
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2359 | if (eta3<=theta[3] && !ell(n_,A,coeff[3],9,work,rand)) { |
763 | 177 | *m = 9; | |
764 | 177 | goto done; | |
765 | } | ||
766 |
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2182 | if (n<SMALLN) { |
767 |
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2042 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,Apowers[2],&n_,Apowers[3],&n_,&szero,work,&n_)); |
768 | 2042 | d10 = PetscPowReal(LAPACKlange_("O",&n_,&n_,work,&n_,rwork),1.0/10.0); | |
769 |
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2042 | PetscCall(PetscLogFlops(2.0*n*n*n+1.0*n*n)); |
770 | } else { | ||
771 |
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140 | PetscCall(SlepcNormAm(n_,Apowers[1],5,work,rand,&d10)); |
772 | 140 | d10 = PetscPowReal(d10,1.0/10.0); | |
773 | } | ||
774 |
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2182 | eta4 = PetscMax(d8,d10); |
775 |
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2182 | eta5 = PetscMin(eta3,eta4); |
776 |
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2182 | *s = PetscMax((PetscInt)PetscCeilReal(PetscLogReal(eta5/theta[4])/PetscLogReal(2.0)),0); |
777 |
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2182 | if (*s) { |
778 | 753 | Ascaled = work+3*n*n; | |
779 | 753 | n2 = n_*n_; | |
780 |
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753 | PetscCallBLAS("BLAScopy",BLAScopy_(&n2,A,&one,Ascaled,&one)); |
781 | 753 | sfactor = PetscPowRealInt(2.0,-(*s)); | |
782 |
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753 | PetscCallBLAS("BLASscal",BLASscal_(&n2,&sfactor,Ascaled,&one)); |
783 |
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753 | PetscCall(PetscLogFlops(1.0*n*n)); |
784 | } else Ascaled = A; | ||
785 | 2182 | *s += ell(n_,Ascaled,coeff[4],13,work,rand); | |
786 | 4588 | done: | |
787 |
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4588 | PetscCall(PetscRandomDestroy(&rand)); |
788 |
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902 | PetscFunctionReturn(PETSC_SUCCESS); |
789 | } | ||
790 | |||
791 | /* | ||
792 | * Matrix exponential implementation based on algorithm and matlab code by N. Higham and co-authors | ||
793 | * | ||
794 | * N. J. Higham, "The scaling and squaring method for the matrix exponential | ||
795 | * revisited", SIAM J. Matrix Anal. Appl. 26(4):1179-1193, 2005. | ||
796 | */ | ||
797 | 4540 | PetscErrorCode FNEvaluateFunctionMat_Exp_Higham(FN fn,Mat A,Mat B) | |
798 | { | ||
799 | 4540 | PetscBLASInt n_=0,n2,*ipiv,info,one=1; | |
800 | 4540 | PetscInt n,m,j,s; | |
801 | 4540 | PetscScalar scale,smone=-1.0,sone=1.0,stwo=2.0,szero=0.0; | |
802 | 4540 | PetscScalar *Ba,*Apowers[5],*Q,*P,*W,*work,*aux; | |
803 | 4540 | const PetscScalar *Aa,*c; | |
804 | 4540 | const PetscScalar c3[4] = { 120, 60, 12, 1 }; | |
805 | 4540 | const PetscScalar c5[6] = { 30240, 15120, 3360, 420, 30, 1 }; | |
806 | 4540 | const PetscScalar c7[8] = { 17297280, 8648640, 1995840, 277200, 25200, 1512, 56, 1 }; | |
807 | 4540 | const PetscScalar c9[10] = { 17643225600.0, 8821612800.0, 2075673600, 302702400, 30270240, | |
808 | 2162160, 110880, 3960, 90, 1 }; | ||
809 | 4540 | const PetscScalar c13[14] = { 64764752532480000.0, 32382376266240000.0, 7771770303897600.0, | |
810 | 1187353796428800.0, 129060195264000.0, 10559470521600.0, | ||
811 | 670442572800.0, 33522128640.0, 1323241920.0, | ||
812 | 40840800, 960960, 16380, 182, 1 }; | ||
813 | |||
814 |
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4540 | PetscFunctionBegin; |
815 |
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4540 | PetscCall(MatDenseGetArrayRead(A,&Aa)); |
816 |
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4540 | PetscCall(MatDenseGetArray(B,&Ba)); |
817 |
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4540 | PetscCall(MatGetSize(A,&n,NULL)); |
818 |
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4540 | PetscCall(PetscBLASIntCast(n,&n_)); |
819 | 4540 | n2 = n_*n_; | |
820 |
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4540 | PetscCall(PetscMalloc2(8*n*n,&work,n,&ipiv)); |
821 | |||
822 | /* Matrix powers */ | ||
823 | 4540 | Apowers[0] = work; /* Apowers[0] = A */ | |
824 | 4540 | Apowers[1] = Apowers[0] + n*n; /* Apowers[1] = A^2 */ | |
825 | 4540 | Apowers[2] = Apowers[1] + n*n; /* Apowers[2] = A^4 */ | |
826 | 4540 | Apowers[3] = Apowers[2] + n*n; /* Apowers[3] = A^6 */ | |
827 | 4540 | Apowers[4] = Apowers[3] + n*n; /* Apowers[4] = A^8 */ | |
828 | |||
829 |
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4540 | PetscCall(PetscArraycpy(Apowers[0],Aa,n2)); |
830 |
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4540 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,Apowers[0],&n_,Apowers[0],&n_,&szero,Apowers[1],&n_)); |
831 |
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4540 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,Apowers[1],&n_,Apowers[1],&n_,&szero,Apowers[2],&n_)); |
832 |
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4540 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,Apowers[1],&n_,Apowers[2],&n_,&szero,Apowers[3],&n_)); |
833 |
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4540 | PetscCall(PetscLogFlops(6.0*n*n*n)); |
834 | |||
835 | /* Compute scaling parameter and order of Pade approximant */ | ||
836 |
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4540 | PetscCall(expm_params(n,Apowers,&s,&m,Apowers[4])); |
837 | |||
838 |
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4540 | if (s) { /* rescale */ |
839 |
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3925 | for (j=0;j<4;j++) { |
840 |
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3140 | scale = PetscPowRealInt(2.0,-PetscMax(2*j,1)*s); |
841 |
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3140 | PetscCallBLAS("BLASscal",BLASscal_(&n2,&scale,Apowers[j],&one)); |
842 | } | ||
843 |
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785 | PetscCall(PetscLogFlops(4.0*n*n)); |
844 | } | ||
845 | |||
846 | /* Evaluate the Pade approximant */ | ||
847 |
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4540 | switch (m) { |
848 | case 3: c = c3; break; | ||
849 | 1000 | case 5: c = c5; break; | |
850 | 98 | case 7: c = c7; break; | |
851 | 177 | case 9: c = c9; break; | |
852 | 2150 | case 13: c = c13; break; | |
853 | ✗ | default: SETERRQ(PETSC_COMM_SELF,PETSC_ERR_ARG_WRONG,"Wrong value of m %" PetscInt_FMT,m); | |
854 | } | ||
855 | 4540 | P = Ba; | |
856 | 4540 | Q = Apowers[4] + n*n; | |
857 | 4540 | W = Q + n*n; | |
858 |
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4540 | switch (m) { |
859 | 2390 | case 3: | |
860 | case 5: | ||
861 | case 7: | ||
862 | case 9: | ||
863 |
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2390 | if (m==9) PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,Apowers[1],&n_,Apowers[3],&n_,&szero,Apowers[4],&n_)); |
864 |
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2390 | PetscCall(PetscArrayzero(P,n2)); |
865 |
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2390 | PetscCall(PetscArrayzero(Q,n2)); |
866 |
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25329 | for (j=0;j<n;j++) { |
867 | 22939 | P[j+j*n] = c[1]; | |
868 | 22939 | Q[j+j*n] = c[0]; | |
869 | } | ||
870 |
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6507 | for (j=m;j>=3;j-=2) { |
871 |
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4117 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[j],Apowers[(j+1)/2-1],&one,P,&one)); |
872 |
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4117 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[j-1],Apowers[(j+1)/2-1],&one,Q,&one)); |
873 |
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4117 | PetscCall(PetscLogFlops(4.0*n*n)); |
874 | } | ||
875 |
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2390 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,Apowers[0],&n_,P,&n_,&szero,W,&n_)); |
876 |
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2390 | PetscCall(PetscLogFlops(2.0*n*n*n)); |
877 | 2820 | SlepcSwap(P,W,aux); | |
878 | 1918 | break; | |
879 | 2150 | case 13: | |
880 | /* P = A*(Apowers[3]*(c[13]*Apowers[3] + c[11]*Apowers[2] + c[9]*Apowers[1]) | ||
881 | + c[7]*Apowers[3] + c[5]*Apowers[2] + c[3]*Apowers[1] + c[1]*I) */ | ||
882 |
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2150 | PetscCallBLAS("BLAScopy",BLAScopy_(&n2,Apowers[3],&one,P,&one)); |
883 |
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2150 | PetscCallBLAS("BLASscal",BLASscal_(&n2,&c[13],P,&one)); |
884 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[11],Apowers[2],&one,P,&one)); |
885 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[9],Apowers[1],&one,P,&one)); |
886 |
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2150 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,Apowers[3],&n_,P,&n_,&szero,W,&n_)); |
887 |
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2150 | PetscCall(PetscLogFlops(5.0*n*n+2.0*n*n*n)); |
888 |
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2150 | PetscCall(PetscArrayzero(P,n2)); |
889 |
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89713 | for (j=0;j<n;j++) P[j+j*n] = c[1]; |
890 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[7],Apowers[3],&one,P,&one)); |
891 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[5],Apowers[2],&one,P,&one)); |
892 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[3],Apowers[1],&one,P,&one)); |
893 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&sone,P,&one,W,&one)); |
894 |
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2150 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,Apowers[0],&n_,W,&n_,&szero,P,&n_)); |
895 |
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2150 | PetscCall(PetscLogFlops(7.0*n*n+2.0*n*n*n)); |
896 | /* Q = Apowers[3]*(c[12]*Apowers[3] + c[10]*Apowers[2] + c[8]*Apowers[1]) | ||
897 | + c[6]*Apowers[3] + c[4]*Apowers[2] + c[2]*Apowers[1] + c[0]*I */ | ||
898 |
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2150 | PetscCallBLAS("BLAScopy",BLAScopy_(&n2,Apowers[3],&one,Q,&one)); |
899 |
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2150 | PetscCallBLAS("BLASscal",BLASscal_(&n2,&c[12],Q,&one)); |
900 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[10],Apowers[2],&one,Q,&one)); |
901 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[8],Apowers[1],&one,Q,&one)); |
902 |
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2150 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,Apowers[3],&n_,Q,&n_,&szero,W,&n_)); |
903 |
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2150 | PetscCall(PetscLogFlops(5.0*n*n+2.0*n*n*n)); |
904 |
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2150 | PetscCall(PetscArrayzero(Q,n2)); |
905 |
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89713 | for (j=0;j<n;j++) Q[j+j*n] = c[0]; |
906 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[6],Apowers[3],&one,Q,&one)); |
907 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[4],Apowers[2],&one,Q,&one)); |
908 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&c[2],Apowers[1],&one,Q,&one)); |
909 |
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2150 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&sone,W,&one,Q,&one)); |
910 |
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2150 | PetscCall(PetscLogFlops(7.0*n*n)); |
911 | break; | ||
912 | ✗ | default: SETERRQ(PETSC_COMM_SELF,PETSC_ERR_ARG_WRONG,"Wrong value of m %" PetscInt_FMT,m); | |
913 | } | ||
914 |
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4540 | PetscCallBLAS("BLASaxpy",BLASaxpy_(&n2,&smone,P,&one,Q,&one)); |
915 |
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4540 | PetscCallBLAS("LAPACKgesv",LAPACKgesv_(&n_,&n_,Q,&n_,ipiv,P,&n_,&info)); |
916 |
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4540 | SlepcCheckLapackInfo("gesv",info); |
917 |
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4540 | PetscCallBLAS("BLASscal",BLASscal_(&n2,&stwo,P,&one)); |
918 |
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115042 | for (j=0;j<n;j++) P[j+j*n] += 1.0; |
919 |
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4540 | PetscCall(PetscLogFlops(2.0*n*n*n/3.0+4.0*n*n)); |
920 | |||
921 | /* Squaring */ | ||
922 |
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11160 | for (j=1;j<=s;j++) { |
923 |
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6620 | PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&n_,&n_,&n_,&sone,P,&n_,P,&n_,&szero,W,&n_)); |
924 | 6620 | SlepcSwap(P,W,aux); | |
925 | } | ||
926 |
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4540 | if (P!=Ba) PetscCall(PetscArraycpy(Ba,P,n2)); |
927 |
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4540 | PetscCall(PetscLogFlops(2.0*n*n*n*s)); |
928 | |||
929 |
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4540 | PetscCall(PetscFree2(work,ipiv)); |
930 |
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4540 | PetscCall(MatDenseRestoreArrayRead(A,&Aa)); |
931 |
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4540 | PetscCall(MatDenseRestoreArray(B,&Ba)); |
932 |
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902 | PetscFunctionReturn(PETSC_SUCCESS); |
933 | } | ||
934 | |||
935 | #if defined(PETSC_HAVE_CUDA) | ||
936 | #include "../src/sys/classes/fn/impls/cuda/fnutilcuda.h" | ||
937 | #include <slepccupmblas.h> | ||
938 | |||
939 | ✗ | PetscErrorCode FNEvaluateFunctionMat_Exp_Pade_CUDA(FN fn,Mat A,Mat B) | |
940 | { | ||
941 | ✗ | PetscBLASInt n=0,ld,ld2,*d_ipiv,*d_info,info,one=1; | |
942 | ✗ | PetscInt m,k,sexp; | |
943 | ✗ | PetscBool odd; | |
944 | ✗ | const PetscInt p=MAX_PADE; | |
945 | ✗ | PetscReal c[MAX_PADE+1],s; | |
946 | ✗ | PetscScalar scale,smone=-1.0,sone=1.0,stwo=2.0,szero=0.0; | |
947 | ✗ | const PetscScalar *Aa; | |
948 | ✗ | PetscScalar *d_Ba,*d_As,*d_A2,*d_Q,*d_P,*d_W,*aux,**ppP,**d_ppP,**ppQ,**d_ppQ; | |
949 | ✗ | cublasHandle_t cublasv2handle; | |
950 | |||
951 | ✗ | PetscFunctionBegin; | |
952 | ✗ | PetscCall(PetscDeviceInitialize(PETSC_DEVICE_CUDA)); /* For CUDA event timers */ | |
953 | ✗ | PetscCall(PetscCUBLASGetHandle(&cublasv2handle)); | |
954 | ✗ | PetscCall(MatGetSize(A,&m,NULL)); | |
955 | ✗ | PetscCall(PetscBLASIntCast(m,&n)); | |
956 | ✗ | ld = n; | |
957 | ✗ | ld2 = ld*ld; | |
958 | ✗ | if (A==B) { | |
959 | ✗ | PetscCallCUDA(cudaMalloc((void **)&d_As,sizeof(PetscScalar)*m*m)); | |
960 | ✗ | PetscCall(MatDenseCUDAGetArrayRead(A,&Aa)); | |
961 | ✗ | PetscCallCUDA(cudaMemcpy(d_As,Aa,sizeof(PetscScalar)*ld2,cudaMemcpyDeviceToDevice)); | |
962 | ✗ | PetscCall(MatDenseCUDARestoreArrayRead(A,&Aa)); | |
963 | ✗ | } else PetscCall(MatDenseCUDAGetArrayRead(A,(const PetscScalar**)&d_As)); | |
964 | ✗ | PetscCall(MatDenseCUDAGetArrayWrite(B,&d_Ba)); | |
965 | |||
966 | ✗ | PetscCallCUDA(cudaMalloc((void **)&d_Q,sizeof(PetscScalar)*m*m)); | |
967 | ✗ | PetscCallCUDA(cudaMalloc((void **)&d_W,sizeof(PetscScalar)*m*m)); | |
968 | ✗ | PetscCallCUDA(cudaMalloc((void **)&d_A2,sizeof(PetscScalar)*m*m)); | |
969 | ✗ | PetscCallCUDA(cudaMalloc((void **)&d_ipiv,sizeof(PetscBLASInt)*ld)); | |
970 | ✗ | PetscCallCUDA(cudaMalloc((void **)&d_info,sizeof(PetscBLASInt))); | |
971 | ✗ | PetscCallCUDA(cudaMalloc((void **)&d_ppP,sizeof(PetscScalar*))); | |
972 | ✗ | PetscCallCUDA(cudaMalloc((void **)&d_ppQ,sizeof(PetscScalar*))); | |
973 | |||
974 | ✗ | PetscCall(PetscMalloc1(1,&ppP)); | |
975 | ✗ | PetscCall(PetscMalloc1(1,&ppQ)); | |
976 | |||
977 | ✗ | d_P = d_Ba; | |
978 | ✗ | PetscCall(PetscLogGpuTimeBegin()); | |
979 | |||
980 | /* Pade' coefficients */ | ||
981 | ✗ | c[0] = 1.0; | |
982 | ✗ | for (k=1;k<=p;k++) c[k] = c[k-1]*(p+1-k)/(k*(2*p+1-k)); | |
983 | |||
984 | /* Scaling */ | ||
985 | ✗ | PetscCallCUBLAS(cublasXnrm2(cublasv2handle,ld2,d_As,one,&s)); | |
986 | ✗ | if (s>0.5) { | |
987 | ✗ | sexp = PetscMax(0,(int)(PetscLogReal(s)/PetscLogReal(2.0))+2); | |
988 | ✗ | scale = PetscPowRealInt(2.0,-sexp); | |
989 | ✗ | PetscCallCUBLAS(cublasXscal(cublasv2handle,ld2,&scale,d_As,one)); | |
990 | ✗ | PetscCall(PetscLogGpuFlops(1.0*n*n)); | |
991 | } else sexp = 0; | ||
992 | |||
993 | /* Horner evaluation */ | ||
994 | ✗ | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_As,ld,d_As,ld,&szero,d_A2,ld)); | |
995 | ✗ | PetscCall(PetscLogGpuFlops(2.0*n*n*n)); | |
996 | ✗ | PetscCallCUDA(cudaMemset(d_Q,0,sizeof(PetscScalar)*ld2)); | |
997 | ✗ | PetscCallCUDA(cudaMemset(d_P,0,sizeof(PetscScalar)*ld2)); | |
998 | ✗ | PetscCall(set_diagonal(n,d_Q,ld,c[p])); | |
999 | ✗ | PetscCall(set_diagonal(n,d_P,ld,c[p-1])); | |
1000 | |||
1001 | odd = PETSC_TRUE; | ||
1002 | ✗ | for (k=p-1;k>0;k--) { | |
1003 | ✗ | if (odd) { | |
1004 | ✗ | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_Q,ld,d_A2,ld,&szero,d_W,ld)); | |
1005 | ✗ | SlepcSwap(d_Q,d_W,aux); | |
1006 | ✗ | PetscCall(shift_diagonal(n,d_Q,ld,c[k-1])); | |
1007 | odd = PETSC_FALSE; | ||
1008 | } else { | ||
1009 | ✗ | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_P,ld,d_A2,ld,&szero,d_W,ld)); | |
1010 | ✗ | SlepcSwap(d_P,d_W,aux); | |
1011 | ✗ | PetscCall(shift_diagonal(n,d_P,ld,c[k-1])); | |
1012 | odd = PETSC_TRUE; | ||
1013 | } | ||
1014 | ✗ | PetscCall(PetscLogGpuFlops(2.0*n*n*n)); | |
1015 | } | ||
1016 | ✗ | if (odd) { | |
1017 | ✗ | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_Q,ld,d_As,ld,&szero,d_W,ld)); | |
1018 | ✗ | SlepcSwap(d_Q,d_W,aux); | |
1019 | ✗ | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,ld2,&smone,d_P,one,d_Q,one)); | |
1020 | |||
1021 | ✗ | ppQ[0] = d_Q; | |
1022 | ✗ | ppP[0] = d_P; | |
1023 | ✗ | PetscCallCUDA(cudaMemcpy(d_ppQ,ppQ,sizeof(PetscScalar*),cudaMemcpyHostToDevice)); | |
1024 | ✗ | PetscCallCUDA(cudaMemcpy(d_ppP,ppP,sizeof(PetscScalar*),cudaMemcpyHostToDevice)); | |
1025 | |||
1026 | ✗ | PetscCallCUBLAS(cublasXgetrfBatched(cublasv2handle,n,d_ppQ,ld,d_ipiv,d_info,one)); | |
1027 | ✗ | PetscCallCUDA(cudaMemcpy(&info,d_info,sizeof(PetscBLASInt),cudaMemcpyDeviceToHost)); | |
1028 | ✗ | PetscCheck(info>=0,PETSC_COMM_SELF,PETSC_ERR_LIB,"LAPACKgetrf: Illegal value on argument %" PetscBLASInt_FMT,PetscAbsInt(info)); | |
1029 | ✗ | PetscCheck(info<=0,PETSC_COMM_SELF,PETSC_ERR_MAT_LU_ZRPVT,"LAPACKgetrf: Matrix is singular. U(%" PetscBLASInt_FMT ",%" PetscBLASInt_FMT ") is zero",info,info); | |
1030 | ✗ | PetscCallCUBLAS(cublasXgetrsBatched(cublasv2handle,CUBLAS_OP_N,n,n,(const PetscScalar **)d_ppQ,ld,d_ipiv,d_ppP,ld,&info,one)); | |
1031 | ✗ | PetscCheck(info>=0,PETSC_COMM_SELF,PETSC_ERR_LIB,"LAPACKgetri: Illegal value on argument %" PetscBLASInt_FMT,PetscAbsInt(info)); | |
1032 | ✗ | PetscCheck(info<=0,PETSC_COMM_SELF,PETSC_ERR_MAT_LU_ZRPVT,"LAPACKgetri: Matrix is singular. U(%" PetscBLASInt_FMT ",%" PetscBLASInt_FMT ") is zero",info,info); | |
1033 | ✗ | PetscCallCUBLAS(cublasXscal(cublasv2handle,ld2,&stwo,d_P,one)); | |
1034 | ✗ | PetscCall(shift_diagonal(n,d_P,ld,sone)); | |
1035 | ✗ | PetscCallCUBLAS(cublasXscal(cublasv2handle,ld2,&smone,d_P,one)); | |
1036 | } else { | ||
1037 | ✗ | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_P,ld,d_As,ld,&szero,d_W,ld)); | |
1038 | ✗ | SlepcSwap(d_P,d_W,aux); | |
1039 | ✗ | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,ld2,&smone,d_P,one,d_Q,one)); | |
1040 | |||
1041 | ✗ | ppQ[0] = d_Q; | |
1042 | ✗ | ppP[0] = d_P; | |
1043 | ✗ | PetscCallCUDA(cudaMemcpy(d_ppQ,ppQ,sizeof(PetscScalar*),cudaMemcpyHostToDevice)); | |
1044 | ✗ | PetscCallCUDA(cudaMemcpy(d_ppP,ppP,sizeof(PetscScalar*),cudaMemcpyHostToDevice)); | |
1045 | |||
1046 | ✗ | PetscCallCUBLAS(cublasXgetrfBatched(cublasv2handle,n,d_ppQ,ld,d_ipiv,d_info,one)); | |
1047 | ✗ | PetscCallCUDA(cudaMemcpy(&info,d_info,sizeof(PetscBLASInt),cudaMemcpyDeviceToHost)); | |
1048 | ✗ | PetscCheck(info>=0,PETSC_COMM_SELF,PETSC_ERR_LIB,"LAPACKgetrf: Illegal value on argument %" PetscBLASInt_FMT,PetscAbsInt(info)); | |
1049 | ✗ | PetscCheck(info<=0,PETSC_COMM_SELF,PETSC_ERR_MAT_LU_ZRPVT,"LAPACKgetrf: Matrix is singular. U(%" PetscBLASInt_FMT ",%" PetscBLASInt_FMT ") is zero",info,info); | |
1050 | ✗ | PetscCallCUBLAS(cublasXgetrsBatched(cublasv2handle,CUBLAS_OP_N,n,n,(const PetscScalar **)d_ppQ,ld,d_ipiv,d_ppP,ld,&info,one)); | |
1051 | ✗ | PetscCheck(info>=0,PETSC_COMM_SELF,PETSC_ERR_LIB,"LAPACKgetri: Illegal value on argument %" PetscBLASInt_FMT,PetscAbsInt(info)); | |
1052 | ✗ | PetscCheck(info<=0,PETSC_COMM_SELF,PETSC_ERR_MAT_LU_ZRPVT,"LAPACKgetri: Matrix is singular. U(%" PetscBLASInt_FMT ",%" PetscBLASInt_FMT ") is zero",info,info); | |
1053 | ✗ | PetscCallCUBLAS(cublasXscal(cublasv2handle,ld2,&stwo,d_P,one)); | |
1054 | ✗ | PetscCall(shift_diagonal(n,d_P,ld,sone)); | |
1055 | } | ||
1056 | ✗ | PetscCall(PetscLogGpuFlops(2.0*n*n*n+2.0*n*n*n/3.0+4.0*n*n)); | |
1057 | |||
1058 | ✗ | for (k=1;k<=sexp;k++) { | |
1059 | ✗ | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_P,ld,d_P,ld,&szero,d_W,ld)); | |
1060 | ✗ | PetscCallCUDA(cudaMemcpy(d_P,d_W,sizeof(PetscScalar)*ld2,cudaMemcpyDeviceToDevice)); | |
1061 | } | ||
1062 | ✗ | PetscCall(PetscLogGpuFlops(2.0*n*n*n*sexp)); | |
1063 | |||
1064 | ✗ | PetscCall(PetscLogGpuTimeEnd()); | |
1065 | ✗ | PetscCallCUDA(cudaFree(d_Q)); | |
1066 | ✗ | PetscCallCUDA(cudaFree(d_W)); | |
1067 | ✗ | PetscCallCUDA(cudaFree(d_A2)); | |
1068 | ✗ | PetscCallCUDA(cudaFree(d_ipiv)); | |
1069 | ✗ | PetscCallCUDA(cudaFree(d_info)); | |
1070 | ✗ | PetscCallCUDA(cudaFree(d_ppP)); | |
1071 | ✗ | PetscCallCUDA(cudaFree(d_ppQ)); | |
1072 | |||
1073 | ✗ | PetscCall(PetscFree(ppP)); | |
1074 | ✗ | PetscCall(PetscFree(ppQ)); | |
1075 | |||
1076 | ✗ | if (d_P!=d_Ba) PetscCallCUDA(cudaMemcpy(d_Ba,d_P,sizeof(PetscScalar)*ld2,cudaMemcpyDeviceToDevice)); | |
1077 | ✗ | if (A!=B) { | |
1078 | ✗ | if (s>0.5) { /* undo scaling */ | |
1079 | ✗ | scale = 1.0/scale; | |
1080 | ✗ | PetscCallCUBLAS(cublasXscal(cublasv2handle,ld2,&scale,d_As,one)); | |
1081 | } | ||
1082 | ✗ | PetscCall(MatDenseCUDARestoreArrayRead(A,(const PetscScalar**)&d_As)); | |
1083 | ✗ | } else PetscCallCUDA(cudaFree(d_As)); | |
1084 | ✗ | PetscCall(MatDenseCUDARestoreArrayWrite(B,&d_Ba)); | |
1085 | PetscFunctionReturn(PETSC_SUCCESS); | ||
1086 | } | ||
1087 | |||
1088 | #if defined(PETSC_HAVE_MAGMA) | ||
1089 | #include <slepcmagma.h> | ||
1090 | |||
1091 | 16 | PetscErrorCode FNEvaluateFunctionMat_Exp_Pade_CUDAm(FN fn,Mat A,Mat B) | |
1092 | { | ||
1093 | 16 | PetscBLASInt n=0,ld,ld2,*piv,one=1; | |
1094 | 16 | PetscInt m,k,sexp; | |
1095 | 16 | PetscBool odd; | |
1096 | 16 | const PetscInt p=MAX_PADE; | |
1097 | 16 | PetscReal c[MAX_PADE+1],s; | |
1098 | 16 | PetscScalar scale,smone=-1.0,sone=1.0,stwo=2.0,szero=0.0; | |
1099 | 16 | const PetscScalar *Aa; | |
1100 | 16 | PetscScalar *d_Ba,*d_As,*d_A2,*d_Q,*d_P,*d_W,*aux; | |
1101 | 16 | cublasHandle_t cublasv2handle; | |
1102 | |||
1103 | 16 | PetscFunctionBegin; | |
1104 |
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16 | PetscCall(PetscDeviceInitialize(PETSC_DEVICE_CUDA)); /* For CUDA event timers */ |
1105 |
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16 | PetscCall(PetscCUBLASGetHandle(&cublasv2handle)); |
1106 |
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16 | PetscCall(SlepcMagmaInit()); |
1107 |
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16 | PetscCall(MatGetSize(A,&m,NULL)); |
1108 |
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16 | PetscCall(PetscBLASIntCast(m,&n)); |
1109 | 16 | ld = n; | |
1110 | 16 | ld2 = ld*ld; | |
1111 |
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16 | if (A==B) { |
1112 |
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4 | PetscCallCUDA(cudaMalloc((void **)&d_As,sizeof(PetscScalar)*m*m)); |
1113 |
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4 | PetscCall(MatDenseCUDAGetArrayRead(A,&Aa)); |
1114 |
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4 | PetscCallCUDA(cudaMemcpy(d_As,Aa,sizeof(PetscScalar)*ld2,cudaMemcpyDeviceToDevice)); |
1115 |
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4 | PetscCall(MatDenseCUDARestoreArrayRead(A,&Aa)); |
1116 |
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12 | } else PetscCall(MatDenseCUDAGetArrayRead(A,(const PetscScalar**)&d_As)); |
1117 |
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16 | PetscCall(MatDenseCUDAGetArrayWrite(B,&d_Ba)); |
1118 | |||
1119 |
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16 | PetscCallCUDA(cudaMalloc((void **)&d_Q,sizeof(PetscScalar)*m*m)); |
1120 |
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16 | PetscCallCUDA(cudaMalloc((void **)&d_W,sizeof(PetscScalar)*m*m)); |
1121 |
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16 | PetscCallCUDA(cudaMalloc((void **)&d_A2,sizeof(PetscScalar)*m*m)); |
1122 | |||
1123 |
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16 | PetscCall(PetscMalloc1(n,&piv)); |
1124 | |||
1125 | 16 | d_P = d_Ba; | |
1126 |
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16 | PetscCall(PetscLogGpuTimeBegin()); |
1127 | |||
1128 | /* Pade' coefficients */ | ||
1129 | 16 | c[0] = 1.0; | |
1130 |
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112 | for (k=1;k<=p;k++) c[k] = c[k-1]*(p+1-k)/(k*(2*p+1-k)); |
1131 | |||
1132 | /* Scaling */ | ||
1133 |
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16 | PetscCallCUBLAS(cublasXnrm2(cublasv2handle,ld2,d_As,one,&s)); |
1134 |
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16 | PetscCall(PetscLogGpuFlops(1.0*n*n)); |
1135 | |||
1136 |
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16 | if (s>0.5) { |
1137 |
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16 | sexp = PetscMax(0,(int)(PetscLogReal(s)/PetscLogReal(2.0))+2); |
1138 | 16 | scale = PetscPowRealInt(2.0,-sexp); | |
1139 |
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16 | PetscCallCUBLAS(cublasXscal(cublasv2handle,ld2,&scale,d_As,one)); |
1140 |
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16 | PetscCall(PetscLogGpuFlops(1.0*n*n)); |
1141 | } else sexp = 0; | ||
1142 | |||
1143 | /* Horner evaluation */ | ||
1144 |
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16 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_As,ld,d_As,ld,&szero,d_A2,ld)); |
1145 |
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16 | PetscCall(PetscLogGpuFlops(2.0*n*n*n)); |
1146 |
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16 | PetscCallCUDA(cudaMemset(d_Q,0,sizeof(PetscScalar)*ld2)); |
1147 |
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16 | PetscCallCUDA(cudaMemset(d_P,0,sizeof(PetscScalar)*ld2)); |
1148 |
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16 | PetscCall(set_diagonal(n,d_Q,ld,c[p])); |
1149 |
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16 | PetscCall(set_diagonal(n,d_P,ld,c[p-1])); |
1150 | |||
1151 | odd = PETSC_TRUE; | ||
1152 |
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96 | for (k=p-1;k>0;k--) { |
1153 |
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80 | if (odd) { |
1154 |
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48 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_Q,ld,d_A2,ld,&szero,d_W,ld)); |
1155 | 48 | SlepcSwap(d_Q,d_W,aux); | |
1156 |
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48 | PetscCall(shift_diagonal(n,d_Q,ld,c[k-1])); |
1157 | odd = PETSC_FALSE; | ||
1158 | } else { | ||
1159 |
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32 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_P,ld,d_A2,ld,&szero,d_W,ld)); |
1160 | 32 | SlepcSwap(d_P,d_W,aux); | |
1161 |
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32 | PetscCall(shift_diagonal(n,d_P,ld,c[k-1])); |
1162 | odd = PETSC_TRUE; | ||
1163 | } | ||
1164 |
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80 | PetscCall(PetscLogGpuFlops(2.0*n*n*n)); |
1165 | } | ||
1166 |
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16 | if (odd) { |
1167 | ✗ | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_Q,ld,d_As,ld,&szero,d_W,ld)); | |
1168 | ✗ | SlepcSwap(d_Q,d_W,aux); | |
1169 | ✗ | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,ld2,&smone,d_P,one,d_Q,one)); | |
1170 | ✗ | PetscCallMAGMA(magma_xgesv_gpu,n,n,d_Q,ld,piv,d_P,ld); | |
1171 | ✗ | PetscCallCUBLAS(cublasXscal(cublasv2handle,ld2,&stwo,d_P,one)); | |
1172 | ✗ | PetscCall(shift_diagonal(n,d_P,ld,sone)); | |
1173 | ✗ | PetscCallCUBLAS(cublasXscal(cublasv2handle,ld2,&smone,d_P,one)); | |
1174 | } else { | ||
1175 |
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16 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_P,ld,d_As,ld,&szero,d_W,ld)); |
1176 | 16 | SlepcSwap(d_P,d_W,aux); | |
1177 |
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16 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,ld2,&smone,d_P,one,d_Q,one)); |
1178 |
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16 | PetscCallMAGMA(magma_xgesv_gpu,n,n,d_Q,ld,piv,d_P,ld); |
1179 |
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16 | PetscCallCUBLAS(cublasXscal(cublasv2handle,ld2,&stwo,d_P,one)); |
1180 |
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16 | PetscCall(shift_diagonal(n,d_P,ld,sone)); |
1181 | } | ||
1182 |
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16 | PetscCall(PetscLogGpuFlops(2.0*n*n*n+2.0*n*n*n/3.0+4.0*n*n)); |
1183 | |||
1184 |
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96 | for (k=1;k<=sexp;k++) { |
1185 |
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80 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_P,ld,d_P,ld,&szero,d_W,ld)); |
1186 |
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80 | PetscCallCUDA(cudaMemcpy(d_P,d_W,sizeof(PetscScalar)*ld2,cudaMemcpyDeviceToDevice)); |
1187 | } | ||
1188 |
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16 | PetscCall(PetscLogGpuFlops(2.0*n*n*n*sexp)); |
1189 | |||
1190 |
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16 | PetscCall(PetscLogGpuTimeEnd()); |
1191 |
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16 | PetscCallCUDA(cudaFree(d_Q)); |
1192 |
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16 | PetscCallCUDA(cudaFree(d_W)); |
1193 |
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16 | PetscCallCUDA(cudaFree(d_A2)); |
1194 |
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16 | PetscCall(PetscFree(piv)); |
1195 | |||
1196 |
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16 | if (d_P!=d_Ba) PetscCallCUDA(cudaMemcpy(d_Ba,d_P,sizeof(PetscScalar)*ld2,cudaMemcpyDeviceToDevice)); |
1197 |
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16 | if (A!=B) { |
1198 |
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12 | if (s>0.5) { /* undo scaling */ |
1199 | 12 | scale = 1.0/scale; | |
1200 |
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12 | PetscCallCUBLAS(cublasXscal(cublasv2handle,ld2,&scale,d_As,one)); |
1201 | } | ||
1202 |
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12 | PetscCall(MatDenseCUDARestoreArrayRead(A,(const PetscScalar**)&d_As)); |
1203 |
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4 | } else PetscCallCUDA(cudaFree(d_As)); |
1204 |
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16 | PetscCall(MatDenseCUDARestoreArrayWrite(B,&d_Ba)); |
1205 | PetscFunctionReturn(PETSC_SUCCESS); | ||
1206 | } | ||
1207 | |||
1208 | /* | ||
1209 | * Matrix exponential implementation based on algorithm and matlab code by N. Higham and co-authors | ||
1210 | * | ||
1211 | * N. J. Higham, "The scaling and squaring method for the matrix exponential | ||
1212 | * revisited", SIAM J. Matrix Anal. Appl. 26(4):1179-1193, 2005. | ||
1213 | */ | ||
1214 | 48 | PetscErrorCode FNEvaluateFunctionMat_Exp_Higham_CUDAm(FN fn,Mat A,Mat B) | |
1215 | { | ||
1216 | 48 | PetscBLASInt n_=0,n2,*ipiv,one=1; | |
1217 | 48 | PetscInt n,m,j,s; | |
1218 | 48 | PetscScalar scale,smone=-1.0,sone=1.0,stwo=2.0,szero=0.0; | |
1219 | 48 | PetscScalar *d_Ba,*Apowers[5],*d_Apowers[5],*d_Q,*d_P,*d_W,*work,*d_work,*aux; | |
1220 | 48 | const PetscScalar *Aa,*c; | |
1221 | 48 | const PetscScalar c3[4] = { 120, 60, 12, 1 }; | |
1222 | 48 | const PetscScalar c5[6] = { 30240, 15120, 3360, 420, 30, 1 }; | |
1223 | 48 | const PetscScalar c7[8] = { 17297280, 8648640, 1995840, 277200, 25200, 1512, 56, 1 }; | |
1224 | 48 | const PetscScalar c9[10] = { 17643225600, 8821612800, 2075673600, 302702400, 30270240, | |
1225 | 2162160, 110880, 3960, 90, 1 }; | ||
1226 | 48 | const PetscScalar c13[14] = { 64764752532480000, 32382376266240000, 7771770303897600, | |
1227 | 1187353796428800, 129060195264000, 10559470521600, | ||
1228 | 670442572800, 33522128640, 1323241920, | ||
1229 | 40840800, 960960, 16380, 182, 1 }; | ||
1230 | 48 | cublasHandle_t cublasv2handle; | |
1231 | |||
1232 | 48 | PetscFunctionBegin; | |
1233 |
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48 | PetscCall(PetscDeviceInitialize(PETSC_DEVICE_CUDA)); /* For CUDA event timers */ |
1234 |
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48 | PetscCall(PetscCUBLASGetHandle(&cublasv2handle)); |
1235 |
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48 | PetscCall(SlepcMagmaInit()); |
1236 |
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48 | PetscCall(MatGetSize(A,&n,NULL)); |
1237 |
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48 | PetscCall(PetscBLASIntCast(n,&n_)); |
1238 | 48 | n2 = n_*n_; | |
1239 |
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48 | PetscCall(PetscMalloc2(8*n*n,&work,n,&ipiv)); |
1240 | /* Matrix powers */ | ||
1241 | 48 | Apowers[0] = work; /* Apowers[0] = A */ | |
1242 | 48 | Apowers[1] = Apowers[0] + n*n; /* Apowers[1] = A^2 */ | |
1243 | 48 | Apowers[2] = Apowers[1] + n*n; /* Apowers[2] = A^4 */ | |
1244 | 48 | Apowers[3] = Apowers[2] + n*n; /* Apowers[3] = A^6 */ | |
1245 | 48 | Apowers[4] = Apowers[3] + n*n; /* Apowers[4] = A^8 */ | |
1246 |
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48 | if (A==B) { |
1247 |
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4 | PetscCallCUDA(cudaMalloc((void**)&d_work,7*n*n*sizeof(PetscScalar))); |
1248 | 4 | d_Apowers[0] = d_work; /* d_Apowers[0] = A */ | |
1249 | 4 | d_Apowers[1] = d_Apowers[0] + n*n; /* d_Apowers[1] = A^2 */ | |
1250 |
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4 | PetscCall(MatDenseCUDAGetArrayRead(A,&Aa)); |
1251 |
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4 | PetscCallCUDA(cudaMemcpy(d_Apowers[0],Aa,n2*sizeof(PetscScalar),cudaMemcpyDeviceToDevice)); |
1252 |
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4 | PetscCall(MatDenseCUDARestoreArrayRead(A,&Aa)); |
1253 | } else { | ||
1254 |
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44 | PetscCallCUDA(cudaMalloc((void**)&d_work,6*n*n*sizeof(PetscScalar))); |
1255 |
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44 | PetscCall(MatDenseCUDAGetArrayRead(A,(const PetscScalar**)&d_Apowers[0])); |
1256 | 44 | d_Apowers[1] = d_work; /* d_Apowers[1] = A^2 */ | |
1257 | } | ||
1258 |
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48 | PetscCall(MatDenseCUDAGetArrayWrite(B,&d_Ba)); |
1259 | 48 | d_Apowers[2] = d_Apowers[1] + n*n; /* d_Apowers[2] = A^4 */ | |
1260 | 48 | d_Apowers[3] = d_Apowers[2] + n*n; /* d_Apowers[3] = A^6 */ | |
1261 | 48 | d_Apowers[4] = d_Apowers[3] + n*n; /* d_Apowers[4] = A^8 */ | |
1262 | 48 | d_Q = d_Apowers[4] + n*n; | |
1263 | 48 | d_W = d_Q + n*n; | |
1264 | |||
1265 |
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48 | PetscCall(PetscLogGpuTimeBegin()); |
1266 | |||
1267 |
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48 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n_,n_,n_,&sone,d_Apowers[0],n_,d_Apowers[0],n_,&szero,d_Apowers[1],n_)); |
1268 |
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48 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n_,n_,n_,&sone,d_Apowers[1],n_,d_Apowers[1],n_,&szero,d_Apowers[2],n_)); |
1269 |
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48 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n_,n_,n_,&sone,d_Apowers[1],n_,d_Apowers[2],n_,&szero,d_Apowers[3],n_)); |
1270 |
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48 | PetscCall(PetscLogGpuFlops(6.0*n*n*n)); |
1271 | |||
1272 |
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48 | PetscCallCUDA(cudaMemcpy(Apowers[0],d_Apowers[0],n2*sizeof(PetscScalar),cudaMemcpyDeviceToHost)); |
1273 |
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48 | PetscCallCUDA(cudaMemcpy(Apowers[1],d_Apowers[1],3*n2*sizeof(PetscScalar),cudaMemcpyDeviceToHost)); |
1274 |
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48 | PetscCall(PetscLogGpuToCpu(4*n2*sizeof(PetscScalar))); |
1275 | /* Compute scaling parameter and order of Pade approximant */ | ||
1276 |
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48 | PetscCall(expm_params(n,Apowers,&s,&m,Apowers[4])); |
1277 | |||
1278 |
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48 | if (s) { /* rescale */ |
1279 |
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80 | for (j=0;j<4;j++) { |
1280 |
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|
64 | scale = PetscPowRealInt(2.0,-PetscMax(2*j,1)*s); |
1281 |
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64 | PetscCallCUBLAS(cublasXscal(cublasv2handle,n2,&scale,d_Apowers[j],one)); |
1282 | } | ||
1283 |
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16 | PetscCall(PetscLogGpuFlops(4.0*n*n)); |
1284 | } | ||
1285 | |||
1286 | /* Evaluate the Pade approximant */ | ||
1287 |
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48 | switch (m) { |
1288 | case 3: c = c3; break; | ||
1289 | ✗ | case 5: c = c5; break; | |
1290 | 16 | case 7: c = c7; break; | |
1291 | ✗ | case 9: c = c9; break; | |
1292 | 32 | case 13: c = c13; break; | |
1293 | ✗ | default: SETERRQ(PETSC_COMM_SELF,PETSC_ERR_ARG_WRONG,"Wrong value of m %" PetscInt_FMT,m); | |
1294 | } | ||
1295 | 48 | d_P = d_Ba; | |
1296 |
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48 | switch (m) { |
1297 | 16 | case 3: | |
1298 | case 5: | ||
1299 | case 7: | ||
1300 | case 9: | ||
1301 |
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16 | if (m==9) PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n_,n_,n_,&sone,d_Apowers[1],n_,d_Apowers[3],n_,&szero,d_Apowers[4],n_)); |
1302 |
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16 | PetscCallCUDA(cudaMemset(d_P,0,sizeof(PetscScalar)*n2)); |
1303 |
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16 | PetscCallCUDA(cudaMemset(d_Q,0,sizeof(PetscScalar)*n2)); |
1304 |
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16 | PetscCall(set_diagonal(n,d_P,n,c[1])); |
1305 |
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16 | PetscCall(set_diagonal(n,d_Q,n,c[0])); |
1306 |
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64 | for (j=m;j>=3;j-=2) { |
1307 |
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48 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[j],d_Apowers[(j+1)/2-1],one,d_P,one)); |
1308 |
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48 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[j-1],d_Apowers[(j+1)/2-1],one,d_Q,one)); |
1309 |
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48 | PetscCall(PetscLogGpuFlops(4.0*n*n)); |
1310 | } | ||
1311 |
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16 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n_,n_,n_,&sone,d_Apowers[0],n_,d_P,n_,&szero,d_W,n_)); |
1312 |
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16 | PetscCall(PetscLogGpuFlops(2.0*n*n*n)); |
1313 | 48 | SlepcSwap(d_P,d_W,aux); | |
1314 | break; | ||
1315 | 32 | case 13: | |
1316 | /* P = A*(Apowers[3]*(c[13]*Apowers[3] + c[11]*Apowers[2] + c[9]*Apowers[1]) | ||
1317 | + c[7]*Apowers[3] + c[5]*Apowers[2] + c[3]*Apowers[1] + c[1]*I) */ | ||
1318 |
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32 | PetscCallCUDA(cudaMemcpy(d_P,d_Apowers[3],n2*sizeof(PetscScalar),cudaMemcpyDeviceToDevice)); |
1319 |
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32 | PetscCallCUBLAS(cublasXscal(cublasv2handle,n2,&c[13],d_P,one)); |
1320 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[11],d_Apowers[2],one,d_P,one)); |
1321 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[9],d_Apowers[1],one,d_P,one)); |
1322 |
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32 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n_,n_,n_,&sone,d_Apowers[3],n_,d_P,n_,&szero,d_W,n_)); |
1323 |
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32 | PetscCall(PetscLogGpuFlops(5.0*n*n+2.0*n*n*n)); |
1324 | |||
1325 |
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32 | PetscCallCUDA(cudaMemset(d_P,0,sizeof(PetscScalar)*n2)); |
1326 |
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32 | PetscCall(set_diagonal(n,d_P,n,c[1])); |
1327 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[7],d_Apowers[3],one,d_P,one)); |
1328 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[5],d_Apowers[2],one,d_P,one)); |
1329 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[3],d_Apowers[1],one,d_P,one)); |
1330 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&sone,d_P,one,d_W,one)); |
1331 |
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32 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n_,n_,n_,&sone,d_Apowers[0],n_,d_W,n_,&szero,d_P,n_)); |
1332 |
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32 | PetscCall(PetscLogGpuFlops(7.0*n*n+2.0*n*n*n)); |
1333 | /* Q = Apowers[3]*(c[12]*Apowers[3] + c[10]*Apowers[2] + c[8]*Apowers[1]) | ||
1334 | + c[6]*Apowers[3] + c[4]*Apowers[2] + c[2]*Apowers[1] + c[0]*I */ | ||
1335 |
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32 | PetscCallCUDA(cudaMemcpy(d_Q,d_Apowers[3],n2*sizeof(PetscScalar),cudaMemcpyDeviceToDevice)); |
1336 |
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32 | PetscCallCUBLAS(cublasXscal(cublasv2handle,n2,&c[12],d_Q,one)); |
1337 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[10],d_Apowers[2],one,d_Q,one)); |
1338 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[8],d_Apowers[1],one,d_Q,one)); |
1339 |
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32 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n_,n_,n_,&sone,d_Apowers[3],n_,d_Q,n_,&szero,d_W,n_)); |
1340 |
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32 | PetscCall(PetscLogGpuFlops(5.0*n*n+2.0*n*n*n)); |
1341 |
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32 | PetscCallCUDA(cudaMemset(d_Q,0,sizeof(PetscScalar)*n2)); |
1342 |
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32 | PetscCall(set_diagonal(n,d_Q,n,c[0])); |
1343 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[6],d_Apowers[3],one,d_Q,one)); |
1344 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[4],d_Apowers[2],one,d_Q,one)); |
1345 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&c[2],d_Apowers[1],one,d_Q,one)); |
1346 |
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32 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&sone,d_W,one,d_Q,one)); |
1347 |
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32 | PetscCall(PetscLogGpuFlops(7.0*n*n)); |
1348 | break; | ||
1349 | ✗ | default: SETERRQ(PETSC_COMM_SELF,PETSC_ERR_ARG_WRONG,"Wrong value of m %" PetscInt_FMT,m); | |
1350 | } | ||
1351 |
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48 | PetscCallCUBLAS(cublasXaxpy(cublasv2handle,n2,&smone,d_P,one,d_Q,one)); |
1352 | |||
1353 |
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48 | PetscCallMAGMA(magma_xgesv_gpu,n_,n_,d_Q,n_,ipiv,d_P,n_); |
1354 | |||
1355 |
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48 | PetscCallCUBLAS(cublasXscal(cublasv2handle,n2,&stwo,d_P,one)); |
1356 |
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48 | PetscCall(shift_diagonal(n,d_P,n,sone)); |
1357 |
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48 | PetscCall(PetscLogGpuFlops(2.0*n*n*n/3.0+4.0*n*n)); |
1358 | |||
1359 | /* Squaring */ | ||
1360 |
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64 | for (j=1;j<=s;j++) { |
1361 |
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16 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n_,n_,n_,&sone,d_P,n_,d_P,n_,&szero,d_W,n_)); |
1362 | 16 | SlepcSwap(d_P,d_W,aux); | |
1363 | } | ||
1364 |
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48 | PetscCall(PetscLogGpuFlops(2.0*n*n*n*s)); |
1365 |
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48 | PetscCall(PetscLogGpuTimeEnd()); |
1366 | |||
1367 |
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48 | PetscCall(PetscFree2(work,ipiv)); |
1368 |
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48 | if (d_P!=d_Ba) PetscCallCUDA(cudaMemcpy(d_Ba,d_P,n2*sizeof(PetscScalar),cudaMemcpyDeviceToDevice)); |
1369 |
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48 | if (A!=B) { |
1370 |
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44 | if (s>0.5) { /* undo scaling */ |
1371 | 12 | scale = 1.0/PetscPowRealInt(2.0,-s); | |
1372 |
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12 | PetscCallCUBLAS(cublasXscal(cublasv2handle,n2,&scale,d_Apowers[0],one)); |
1373 | } | ||
1374 |
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44 | PetscCall(MatDenseCUDARestoreArrayRead(A,(const PetscScalar**)&d_Apowers[0])); |
1375 | } | ||
1376 |
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48 | PetscCall(MatDenseCUDARestoreArrayWrite(B,&d_Ba)); |
1377 |
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48 | PetscCallCUDA(cudaFree(d_work)); |
1378 | PetscFunctionReturn(PETSC_SUCCESS); | ||
1379 | } | ||
1380 | |||
1381 | /* | ||
1382 | * Matrix exponential implementation based on algorithm and matlab code by Stefan Guettel | ||
1383 | * and Yuji Nakatsukasa | ||
1384 | * | ||
1385 | * Stefan Guettel and Yuji Nakatsukasa, "Scaled and Squared Subdiagonal Pade' | ||
1386 | * Approximation for the Matrix Exponential", | ||
1387 | * SIAM J. Matrix Anal. Appl. 37(1):145-170, 2016. | ||
1388 | * https://doi.org/10.1137/15M1027553 | ||
1389 | */ | ||
1390 | 32 | PetscErrorCode FNEvaluateFunctionMat_Exp_GuettelNakatsukasa_CUDAm(FN fn,Mat A,Mat B) | |
1391 | { | ||
1392 | 32 | PetscInt i,j,n_,s,k,m,mod; | |
1393 | 32 | PetscBLASInt n=0,n2=0,irsize=0,rsizediv2,ipsize=0,iremainsize=0,query=-1,*piv,minlen,lwork=0,one=1; | |
1394 | 32 | PetscReal nrm,shift=0.0,rone=1.0,rzero=0.0; | |
1395 | #if defined(PETSC_USE_COMPLEX) | ||
1396 | 16 | PetscReal *rwork=NULL; | |
1397 | #endif | ||
1398 | 32 | PetscComplex *d_As,*d_RR,*d_RR2,*d_expmA,*d_expmA2,*d_Maux,*d_Maux2,rsize,*r,psize,*p,remainsize,*remainterm,*rootp,*rootq,mult=0.0,scale,cone=1.0,czero=0.0,*aux; | |
1399 | 32 | PetscScalar *d_Aa,*d_Ba,*d_Ba2,*Maux,*d_sMaux,*wr,*wi,expshift,sone=1.0,szero=0.0,*work,work1,*saux; | |
1400 | 32 | const PetscScalar *Aa; | |
1401 | 32 | PetscBool isreal,*d_isreal,flg; | |
1402 | 32 | cublasHandle_t cublasv2handle; | |
1403 | |||
1404 | 32 | PetscFunctionBegin; | |
1405 |
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32 | PetscCall(PetscDeviceInitialize(PETSC_DEVICE_CUDA)); /* For CUDA event timers */ |
1406 |
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32 | PetscCall(PetscCUBLASGetHandle(&cublasv2handle)); |
1407 |
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32 | PetscCall(SlepcMagmaInit()); |
1408 |
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32 | PetscCall(MatGetSize(A,&n_,NULL)); |
1409 |
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32 | PetscCall(PetscBLASIntCast(n_,&n)); |
1410 |
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32 | PetscCall(PetscBLASIntCast(n*n,&n2)); |
1411 | |||
1412 |
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32 | if (A==B) { |
1413 |
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8 | PetscCallCUDA(cudaMalloc((void **)&d_Aa,sizeof(PetscScalar)*n2)); |
1414 |
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8 | PetscCall(MatDenseCUDAGetArrayRead(A,&Aa)); |
1415 |
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8 | PetscCallCUDA(cudaMemcpy(d_Aa,Aa,sizeof(PetscScalar)*n2,cudaMemcpyDeviceToDevice)); |
1416 |
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8 | PetscCall(MatDenseCUDARestoreArrayRead(A,&Aa)); |
1417 |
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24 | } else PetscCall(MatDenseCUDAGetArrayRead(A,(const PetscScalar**)&d_Aa)); |
1418 |
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32 | PetscCall(MatDenseCUDAGetArrayWrite(B,&d_Ba)); |
1419 | 32 | d_Ba2 = d_Ba; | |
1420 | |||
1421 |
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32 | PetscCallCUDA(cudaMalloc((void **)&d_isreal,sizeof(PetscBool))); |
1422 |
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32 | PetscCallCUDA(cudaMalloc((void **)&d_sMaux,sizeof(PetscScalar)*n2)); |
1423 |
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32 | PetscCallCUDA(cudaMalloc((void **)&d_Maux,sizeof(PetscComplex)*n2)); |
1424 | |||
1425 |
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32 | PetscCall(PetscLogGpuTimeBegin()); |
1426 | 32 | d_Maux2 = d_Maux; | |
1427 |
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32 | PetscCall(PetscOptionsGetReal(NULL,NULL,"-fn_expm_estimated_eig",&shift,&flg)); |
1428 |
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32 | if (!flg) { |
1429 |
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32 | PetscCall(PetscMalloc2(n,&wr,n,&wi)); |
1430 | /* estimate rightmost eigenvalue and shift A with it */ | ||
1431 |
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32 | PetscCall(PetscMalloc1(n2,&Maux)); |
1432 |
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32 | PetscCall(MatDenseGetArrayRead(A,&Aa)); |
1433 |
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32 | PetscCall(PetscArraycpy(Maux,Aa,n2)); |
1434 |
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32 | PetscCall(MatDenseRestoreArrayRead(A,&Aa)); |
1435 | #if !defined(PETSC_USE_COMPLEX) | ||
1436 |
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16 | PetscCallMAGMA(magma_xgeev,MagmaNoVec,MagmaNoVec,n,Maux,n,wr,wi,NULL,n,NULL,n,&work1,query); |
1437 |
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16 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPart(work1),&lwork)); |
1438 |
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16 | PetscCall(PetscMalloc1(lwork,&work)); |
1439 |
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16 | PetscCallMAGMA(magma_xgeev,MagmaNoVec,MagmaNoVec,n,Maux,n,wr,wi,NULL,n,NULL,n,work,lwork); |
1440 |
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16 | PetscCall(PetscFree(work)); |
1441 | #else | ||
1442 |
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16 | PetscCallMAGMA(magma_xgeev,MagmaNoVec,MagmaNoVec,n,Maux,n,wr,NULL,n,NULL,n,&work1,query,rwork); |
1443 |
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16 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPart(work1),&lwork)); |
1444 |
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16 | PetscCall(PetscMalloc2(2*n,&rwork,lwork,&work)); |
1445 |
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16 | PetscCallMAGMA(magma_xgeev,MagmaNoVec,MagmaNoVec,n,Maux,n,wr,NULL,n,NULL,n,work,lwork,rwork); |
1446 |
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16 | PetscCall(PetscFree2(rwork,work)); |
1447 | #endif | ||
1448 |
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32 | PetscCall(PetscFree(Maux)); |
1449 |
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32 | PetscCall(PetscLogGpuFlops(25.0*n*n*n+(n*n*n)/3.0+1.0*n*n*n)); |
1450 | |||
1451 | 32 | shift = PetscRealPart(wr[0]); | |
1452 |
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320 | for (i=1;i<n;i++) { |
1453 |
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288 | if (PetscRealPart(wr[i]) > shift) shift = PetscRealPart(wr[i]); |
1454 | } | ||
1455 |
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32 | PetscCall(PetscFree2(wr,wi)); |
1456 | } | ||
1457 | /* shift so that largest real part is (about) 0 */ | ||
1458 |
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32 | PetscCallCUDA(cudaMemcpy(d_sMaux,d_Aa,sizeof(PetscScalar)*n2,cudaMemcpyDeviceToDevice)); |
1459 |
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32 | if (shift) { |
1460 |
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32 | PetscCall(shift_diagonal(n,d_sMaux,n,-shift)); |
1461 |
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32 | PetscCall(PetscLogGpuFlops(1.0*n)); |
1462 | } | ||
1463 | #if defined(PETSC_USE_COMPLEX) | ||
1464 |
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16 | PetscCallCUDA(cudaMemcpy(d_Maux,d_Aa,sizeof(PetscScalar)*n2,cudaMemcpyDeviceToDevice)); |
1465 |
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16 | if (shift) { |
1466 |
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16 | PetscCall(shift_diagonal(n,d_Maux,n,-shift)); |
1467 |
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16 | PetscCall(PetscLogGpuFlops(1.0*n)); |
1468 | } | ||
1469 | #endif | ||
1470 |
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32 | if (A!=B) PetscCall(MatDenseCUDARestoreArrayRead(A,(const PetscScalar**)&d_Aa)); |
1471 |
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8 | else PetscCallCUDA(cudaFree(d_Aa)); |
1472 | |||
1473 | /* estimate norm(A) and select the scaling factor */ | ||
1474 |
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32 | PetscCallCUBLAS(cublasXnrm2(cublasv2handle,n2,d_sMaux,one,&nrm)); |
1475 |
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32 | PetscCall(PetscLogGpuFlops(2.0*n*n)); |
1476 |
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32 | PetscCall(sexpm_params(nrm,&s,&k,&m)); |
1477 |
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32 | if (s==0 && k==1 && m==0) { /* exp(A) = I+A to eps! */ |
1478 | ✗ | if (shift) expshift = PetscExpReal(shift); | |
1479 | ✗ | PetscCall(shift_Cdiagonal(n,d_Maux,n,rone,rzero)); | |
1480 | ✗ | if (shift) { | |
1481 | ✗ | PetscCallCUBLAS(cublasXscal(cublasv2handle,n2,&expshift,d_sMaux,one)); | |
1482 | ✗ | PetscCall(PetscLogGpuFlops(1.0*(n+n2))); | |
1483 | ✗ | } else PetscCall(PetscLogGpuFlops(1.0*n)); | |
1484 | ✗ | PetscCallCUDA(cudaMemcpy(d_Ba,d_sMaux,sizeof(PetscScalar)*n2,cudaMemcpyDeviceToDevice)); | |
1485 | ✗ | PetscCallCUDA(cudaFree(d_isreal)); | |
1486 | ✗ | PetscCallCUDA(cudaFree(d_sMaux)); | |
1487 | ✗ | PetscCallCUDA(cudaFree(d_Maux)); | |
1488 | ✗ | PetscCall(MatDenseCUDARestoreArrayWrite(B,&d_Ba)); | |
1489 | PetscFunctionReturn(PETSC_SUCCESS); /* quick return */ | ||
1490 | } | ||
1491 | |||
1492 |
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32 | PetscCallCUDA(cudaMalloc((void **)&d_expmA,sizeof(PetscComplex)*n2)); |
1493 |
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32 | PetscCallCUDA(cudaMalloc((void **)&d_As,sizeof(PetscComplex)*n2)); |
1494 |
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32 | PetscCallCUDA(cudaMalloc((void **)&d_RR,sizeof(PetscComplex)*n2)); |
1495 | 32 | d_expmA2 = d_expmA; d_RR2 = d_RR; | |
1496 |
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32 | PetscCall(PetscMalloc1(n,&piv)); |
1497 | /* scale matrix */ | ||
1498 | #if !defined(PETSC_USE_COMPLEX) | ||
1499 |
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16 | PetscCall(copy_array2D_S2C(n,n,d_As,n,d_sMaux,n)); |
1500 | #else | ||
1501 |
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16 | PetscCallCUDA(cudaMemcpy(d_As,d_sMaux,sizeof(PetscScalar)*n2,cudaMemcpyDeviceToDevice)); |
1502 | #endif | ||
1503 | 32 | scale = 1.0/PetscPowRealInt(2.0,s); | |
1504 |
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32 | PetscCallCUBLAS(cublasXCscal(cublasv2handle,n2,(const cuComplex *)&scale,(cuComplex *)d_As,one)); |
1505 |
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32 | PetscCall(SlepcLogGpuFlopsComplex(1.0*n2)); |
1506 | |||
1507 | /* evaluate Pade approximant (partial fraction or product form) */ | ||
1508 |
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32 | if (fn->method==3 || !m) { /* partial fraction */ |
1509 |
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16 | PetscCall(getcoeffs(k,m,&rsize,&psize,&remainsize,PETSC_TRUE)); |
1510 |
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16 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPartComplex(rsize),&irsize)); |
1511 |
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16 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPartComplex(psize),&ipsize)); |
1512 |
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16 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPartComplex(remainsize),&iremainsize)); |
1513 |
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16 | PetscCall(PetscMalloc3(irsize,&r,ipsize,&p,iremainsize,&remainterm)); |
1514 |
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16 | PetscCall(getcoeffs(k,m,r,p,remainterm,PETSC_FALSE)); |
1515 | |||
1516 |
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16 | PetscCallCUDA(cudaMemset(d_expmA,0,sizeof(PetscComplex)*n2)); |
1517 | #if !defined(PETSC_USE_COMPLEX) | ||
1518 | 8 | isreal = PETSC_TRUE; | |
1519 | #else | ||
1520 |
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8 | PetscCall(getisreal_array2D(n,n,d_Maux,n,d_isreal)); |
1521 |
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8 | PetscCallCUDA(cudaMemcpy(&isreal,d_isreal,sizeof(PetscBool),cudaMemcpyDeviceToHost)); |
1522 | #endif | ||
1523 |
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16 | if (isreal) { |
1524 | 16 | rsizediv2 = irsize/2; | |
1525 |
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48 | for (i=0;i<rsizediv2;i++) { /* use partial fraction to get R(As) */ |
1526 |
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32 | PetscCallCUDA(cudaMemcpy(d_Maux,d_As,sizeof(PetscComplex)*n2,cudaMemcpyDeviceToDevice)); |
1527 |
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32 | PetscCallCUDA(cudaMemset(d_RR,0,sizeof(PetscComplex)*n2)); |
1528 |
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32 | PetscCall(shift_Cdiagonal(n,d_Maux,n,-PetscRealPartComplex(p[2*i]),-PetscImaginaryPartComplex(p[2*i]))); |
1529 |
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32 | PetscCall(set_Cdiagonal(n,d_RR,n,PetscRealPartComplex(r[2*i]),PetscImaginaryPartComplex(r[2*i]))); |
1530 |
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32 | PetscCallMAGMA(magma_Cgesv_gpu,n,n,d_Maux,n,piv,d_RR,n); |
1531 |
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32 | PetscCall(add_array2D_Conj(n,n,d_RR,n)); |
1532 |
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32 | PetscCallCUBLAS(cublasXCaxpy(cublasv2handle,n2,&cone,d_RR,one,d_expmA,one)); |
1533 | /* shift(n) + gesv + axpy(n2) */ | ||
1534 |
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32 | PetscCall(SlepcLogGpuFlopsComplex(1.0*n+(2.0*n*n*n/3.0+2.0*n*n*n)+2.0*n2)); |
1535 | } | ||
1536 | |||
1537 | 16 | mod = ipsize % 2; | |
1538 |
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16 | if (mod) { |
1539 | ✗ | PetscCallCUDA(cudaMemcpy(d_Maux,d_As,sizeof(PetscComplex)*n2,cudaMemcpyDeviceToDevice)); | |
1540 | ✗ | PetscCallCUDA(cudaMemset(d_RR,0,sizeof(PetscComplex)*n2)); | |
1541 | ✗ | PetscCall(shift_Cdiagonal(n,d_Maux,n,-PetscRealPartComplex(p[ipsize-1]),-PetscImaginaryPartComplex(p[ipsize-1]))); | |
1542 | ✗ | PetscCall(set_Cdiagonal(n,d_RR,n,PetscRealPartComplex(r[irsize-1]),PetscImaginaryPartComplex(r[irsize-1]))); | |
1543 | ✗ | PetscCallMAGMA(magma_Cgesv_gpu,n,n,d_Maux,n,piv,d_RR,n); | |
1544 | ✗ | PetscCallCUBLAS(cublasXCaxpy(cublasv2handle,n2,&cone,d_RR,one,d_expmA,one)); | |
1545 | ✗ | PetscCall(SlepcLogGpuFlopsComplex(1.0*n+(2.0*n*n*n/3.0+2.0*n*n*n)+1.0*n2)); | |
1546 | } | ||
1547 | } else { /* complex */ | ||
1548 | ✗ | for (i=0;i<irsize;i++) { /* use partial fraction to get R(As) */ | |
1549 | ✗ | PetscCallCUDA(cudaMemcpy(d_Maux,d_As,sizeof(PetscComplex)*n2,cudaMemcpyDeviceToDevice)); | |
1550 | ✗ | PetscCallCUDA(cudaMemset(d_RR,0,sizeof(PetscComplex)*n2)); | |
1551 | ✗ | PetscCall(shift_Cdiagonal(n,d_Maux,n,-PetscRealPartComplex(p[i]),-PetscImaginaryPartComplex(p[i]))); | |
1552 | ✗ | PetscCall(set_Cdiagonal(n,d_RR,n,PetscRealPartComplex(r[i]),PetscImaginaryPartComplex(r[i]))); | |
1553 | ✗ | PetscCallMAGMA(magma_Cgesv_gpu,n,n,d_Maux,n,piv,d_RR,n); | |
1554 | ✗ | PetscCallCUBLAS(cublasXCaxpy(cublasv2handle,n2,&cone,d_RR,one,d_expmA,one)); | |
1555 | ✗ | PetscCall(SlepcLogGpuFlopsComplex(1.0*n+(2.0*n*n*n/3.0+2.0*n*n*n)+1.0*n2)); | |
1556 | } | ||
1557 | } | ||
1558 |
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48 | for (i=0;i<iremainsize;i++) { |
1559 |
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32 | if (!i) { |
1560 |
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16 | PetscCallCUDA(cudaMemset(d_RR,0,sizeof(PetscComplex)*n2)); |
1561 |
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16 | PetscCall(set_Cdiagonal(n,d_RR,n,PetscRealPartComplex(remainterm[iremainsize-1]),PetscImaginaryPartComplex(remainterm[iremainsize-1]))); |
1562 | } else { | ||
1563 |
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16 | PetscCallCUDA(cudaMemcpy(d_RR,d_As,sizeof(PetscComplex)*n2,cudaMemcpyDeviceToDevice)); |
1564 |
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16 | for (j=1;j<i;j++) { |
1565 | ✗ | PetscCallCUBLAS(cublasXCgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&cone,d_RR,n,d_RR,n,&czero,d_Maux,n)); | |
1566 | ✗ | SlepcSwap(d_RR,d_Maux,aux); | |
1567 | ✗ | PetscCall(SlepcLogGpuFlopsComplex(2.0*n*n*n)); | |
1568 | } | ||
1569 |
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16 | PetscCallCUBLAS(cublasXCscal(cublasv2handle,n2,&remainterm[iremainsize-1-i],d_RR,one)); |
1570 |
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16 | PetscCall(SlepcLogGpuFlopsComplex(1.0*n2)); |
1571 | } | ||
1572 |
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32 | PetscCallCUBLAS(cublasXCaxpy(cublasv2handle,n2,&cone,d_RR,one,d_expmA,one)); |
1573 |
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32 | PetscCall(SlepcLogGpuFlopsComplex(1.0*n2)); |
1574 | } | ||
1575 |
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16 | PetscCall(PetscFree3(r,p,remainterm)); |
1576 | } else { /* product form, default */ | ||
1577 |
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16 | PetscCall(getcoeffsproduct(k,m,&rsize,&psize,&mult,PETSC_TRUE)); |
1578 |
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16 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPartComplex(rsize),&irsize)); |
1579 |
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16 | PetscCall(PetscBLASIntCast((PetscInt)PetscRealPartComplex(psize),&ipsize)); |
1580 |
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16 | PetscCall(PetscMalloc2(irsize,&rootp,ipsize,&rootq)); |
1581 |
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16 | PetscCall(getcoeffsproduct(k,m,rootp,rootq,&mult,PETSC_FALSE)); |
1582 | |||
1583 |
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16 | PetscCallCUDA(cudaMemset(d_expmA,0,sizeof(PetscComplex)*n2)); |
1584 |
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16 | PetscCall(set_Cdiagonal(n,d_expmA,n,rone,rzero)); /* initialize */ |
1585 | 16 | minlen = PetscMin(irsize,ipsize); | |
1586 |
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80 | for (i=0;i<minlen;i++) { |
1587 |
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64 | PetscCallCUDA(cudaMemcpy(d_RR,d_As,sizeof(PetscComplex)*n2,cudaMemcpyDeviceToDevice)); |
1588 |
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64 | PetscCall(shift_Cdiagonal(n,d_RR,n,-PetscRealPartComplex(rootp[i]),-PetscImaginaryPartComplex(rootp[i]))); |
1589 |
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64 | PetscCallCUBLAS(cublasXCgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&cone,d_RR,n,d_expmA,n,&czero,d_Maux,n)); |
1590 | 64 | SlepcSwap(d_expmA,d_Maux,aux); | |
1591 |
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64 | PetscCallCUDA(cudaMemcpy(d_RR,d_As,sizeof(PetscComplex)*n2,cudaMemcpyDeviceToDevice)); |
1592 |
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64 | PetscCall(shift_Cdiagonal(n,d_RR,n,-PetscRealPartComplex(rootq[i]),-PetscImaginaryPartComplex(rootq[i]))); |
1593 |
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64 | PetscCallMAGMA(magma_Cgesv_gpu,n,n,d_RR,n,piv,d_expmA,n); |
1594 | /* shift(n) + gemm + shift(n) + gesv */ | ||
1595 |
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64 | PetscCall(SlepcLogGpuFlopsComplex(1.0*n+(2.0*n*n*n)+1.0*n+(2.0*n*n*n/3.0+2.0*n*n*n))); |
1596 | } | ||
1597 | /* extra enumerator */ | ||
1598 |
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32 | for (i=minlen;i<irsize;i++) { |
1599 |
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16 | PetscCallCUDA(cudaMemcpy(d_RR,d_As,sizeof(PetscComplex)*n2,cudaMemcpyDeviceToDevice)); |
1600 |
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16 | PetscCall(shift_Cdiagonal(n,d_RR,n,-PetscRealPartComplex(rootp[i]),-PetscImaginaryPartComplex(rootp[i]))); |
1601 |
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16 | PetscCallCUBLAS(cublasXCgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&cone,d_RR,n,d_expmA,n,&czero,d_Maux,n)); |
1602 | 16 | SlepcSwap(d_expmA,d_Maux,aux); | |
1603 |
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16 | PetscCall(SlepcLogGpuFlopsComplex(1.0*n+2.0*n*n*n)); |
1604 | } | ||
1605 | /* extra denominator */ | ||
1606 |
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16 | for (i=minlen;i<ipsize;i++) { |
1607 | ✗ | PetscCallCUDA(cudaMemcpy(d_RR,d_As,sizeof(PetscComplex)*n2,cudaMemcpyDeviceToDevice)); | |
1608 | ✗ | PetscCall(shift_Cdiagonal(n,d_RR,n,-PetscRealPartComplex(rootq[i]),-PetscImaginaryPartComplex(rootq[i]))); | |
1609 | ✗ | PetscCallMAGMA(magma_Cgesv_gpu,n,n,d_RR,n,piv,d_expmA,n); | |
1610 | ✗ | PetscCall(SlepcLogGpuFlopsComplex(1.0*n+(2.0*n*n*n/3.0+2.0*n*n*n))); | |
1611 | } | ||
1612 |
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16 | PetscCallCUBLAS(cublasXCscal(cublasv2handle,n2,&mult,d_expmA,one)); |
1613 |
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16 | PetscCall(SlepcLogGpuFlopsComplex(1.0*n2)); |
1614 |
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16 | PetscCall(PetscFree2(rootp,rootq)); |
1615 | } | ||
1616 | |||
1617 | #if !defined(PETSC_USE_COMPLEX) | ||
1618 |
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16 | PetscCall(copy_array2D_C2S(n,n,d_Ba2,n,d_expmA,n)); |
1619 | #else | ||
1620 |
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16 | PetscCallCUDA(cudaMemcpy(d_Ba2,d_expmA,sizeof(PetscScalar)*n2,cudaMemcpyDeviceToDevice)); |
1621 | #endif | ||
1622 | |||
1623 | /* perform repeated squaring */ | ||
1624 |
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160 | for (i=0;i<s;i++) { /* final squaring */ |
1625 |
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128 | PetscCallCUBLAS(cublasXgemm(cublasv2handle,CUBLAS_OP_N,CUBLAS_OP_N,n,n,n,&sone,d_Ba2,n,d_Ba2,n,&szero,d_sMaux,n)); |
1626 | 128 | SlepcSwap(d_Ba2,d_sMaux,saux); | |
1627 |
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128 | PetscCall(PetscLogGpuFlops(2.0*n*n*n)); |
1628 | } | ||
1629 |
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32 | if (d_Ba2!=d_Ba) { |
1630 | ✗ | PetscCallCUDA(cudaMemcpy(d_Ba,d_Ba2,sizeof(PetscScalar)*n2,cudaMemcpyDeviceToDevice)); | |
1631 | ✗ | d_sMaux = d_Ba2; | |
1632 | } | ||
1633 |
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32 | if (shift) { |
1634 | 32 | expshift = PetscExpReal(shift); | |
1635 |
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32 | PetscCallCUBLAS(cublasXscal(cublasv2handle,n2,&expshift,d_Ba,one)); |
1636 |
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32 | PetscCall(PetscLogGpuFlops(1.0*n2)); |
1637 | } | ||
1638 | |||
1639 |
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32 | PetscCall(PetscLogGpuTimeEnd()); |
1640 | |||
1641 | /* restore pointers */ | ||
1642 | 32 | d_Maux = d_Maux2; d_expmA = d_expmA2; d_RR = d_RR2; | |
1643 |
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32 | PetscCall(MatDenseCUDARestoreArrayWrite(B,&d_Ba)); |
1644 |
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32 | PetscCallCUDA(cudaFree(d_isreal)); |
1645 |
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32 | PetscCallCUDA(cudaFree(d_sMaux)); |
1646 |
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32 | PetscCallCUDA(cudaFree(d_Maux)); |
1647 |
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32 | PetscCallCUDA(cudaFree(d_expmA)); |
1648 |
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32 | PetscCallCUDA(cudaFree(d_As)); |
1649 |
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32 | PetscCallCUDA(cudaFree(d_RR)); |
1650 |
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32 | PetscCall(PetscFree(piv)); |
1651 | PetscFunctionReturn(PETSC_SUCCESS); | ||
1652 | } | ||
1653 | #endif /* PETSC_HAVE_MAGMA */ | ||
1654 | #endif /* PETSC_HAVE_CUDA */ | ||
1655 | |||
1656 | 319 | static PetscErrorCode FNView_Exp(FN fn,PetscViewer viewer) | |
1657 | { | ||
1658 | 319 | PetscBool isascii; | |
1659 | 319 | char str[50]; | |
1660 | 319 | const char *methodname[] = { | |
1661 | "scaling & squaring, [m/m] Pade approximant (Higham)", | ||
1662 | "scaling & squaring, [6/6] Pade approximant", | ||
1663 | "scaling & squaring, subdiagonal Pade approximant (product form)", | ||
1664 | "scaling & squaring, subdiagonal Pade approximant (partial fraction)" | ||
1665 | }; | ||
1666 | 319 | const int nmeth=PETSC_STATIC_ARRAY_LENGTH(methodname); | |
1667 | |||
1668 |
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319 | PetscFunctionBegin; |
1669 |
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319 | PetscCall(PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii)); |
1670 |
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319 | if (isascii) { |
1671 |
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319 | if (fn->beta==(PetscScalar)1.0) { |
1672 |
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269 | if (fn->alpha==(PetscScalar)1.0) PetscCall(PetscViewerASCIIPrintf(viewer," exponential: exp(x)\n")); |
1673 | else { | ||
1674 |
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105 | PetscCall(SlepcSNPrintfScalar(str,sizeof(str),fn->alpha,PETSC_TRUE)); |
1675 |
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105 | PetscCall(PetscViewerASCIIPrintf(viewer," exponential: exp(%s*x)\n",str)); |
1676 | } | ||
1677 | } else { | ||
1678 |
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50 | PetscCall(SlepcSNPrintfScalar(str,sizeof(str),fn->beta,PETSC_TRUE)); |
1679 |
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50 | if (fn->alpha==(PetscScalar)1.0) PetscCall(PetscViewerASCIIPrintf(viewer," exponential: %s*exp(x)\n",str)); |
1680 | else { | ||
1681 |
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50 | PetscCall(PetscViewerASCIIPrintf(viewer," exponential: %s",str)); |
1682 |
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50 | PetscCall(PetscViewerASCIIUseTabs(viewer,PETSC_FALSE)); |
1683 |
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50 | PetscCall(SlepcSNPrintfScalar(str,sizeof(str),fn->alpha,PETSC_TRUE)); |
1684 |
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50 | PetscCall(PetscViewerASCIIPrintf(viewer,"*exp(%s*x)\n",str)); |
1685 |
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50 | PetscCall(PetscViewerASCIIUseTabs(viewer,PETSC_TRUE)); |
1686 | } | ||
1687 | } | ||
1688 |
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319 | if (fn->method<nmeth) PetscCall(PetscViewerASCIIPrintf(viewer," computing matrix functions with: %s\n",methodname[fn->method])); |
1689 | } | ||
1690 |
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59 | PetscFunctionReturn(PETSC_SUCCESS); |
1691 | } | ||
1692 | |||
1693 | 1106 | SLEPC_EXTERN PetscErrorCode FNCreate_Exp(FN fn) | |
1694 | { | ||
1695 |
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1106 | PetscFunctionBegin; |
1696 | 1106 | fn->ops->evaluatefunction = FNEvaluateFunction_Exp; | |
1697 | 1106 | fn->ops->evaluatederivative = FNEvaluateDerivative_Exp; | |
1698 | 1106 | fn->ops->evaluatefunctionmat[0] = FNEvaluateFunctionMat_Exp_Higham; | |
1699 | 1106 | fn->ops->evaluatefunctionmat[1] = FNEvaluateFunctionMat_Exp_Pade; | |
1700 | 1106 | fn->ops->evaluatefunctionmat[2] = FNEvaluateFunctionMat_Exp_GuettelNakatsukasa; /* product form */ | |
1701 | 1106 | fn->ops->evaluatefunctionmat[3] = FNEvaluateFunctionMat_Exp_GuettelNakatsukasa; /* partial fraction */ | |
1702 | #if defined(PETSC_HAVE_CUDA) | ||
1703 | 245 | fn->ops->evaluatefunctionmatcuda[1] = FNEvaluateFunctionMat_Exp_Pade_CUDA; | |
1704 | #if defined(PETSC_HAVE_MAGMA) | ||
1705 | 245 | fn->ops->evaluatefunctionmatcuda[0] = FNEvaluateFunctionMat_Exp_Higham_CUDAm; | |
1706 | 245 | fn->ops->evaluatefunctionmatcuda[1] = FNEvaluateFunctionMat_Exp_Pade_CUDAm; | |
1707 | 245 | fn->ops->evaluatefunctionmatcuda[2] = FNEvaluateFunctionMat_Exp_GuettelNakatsukasa_CUDAm; /* product form */ | |
1708 | 245 | fn->ops->evaluatefunctionmatcuda[3] = FNEvaluateFunctionMat_Exp_GuettelNakatsukasa_CUDAm; /* partial fraction */ | |
1709 | #endif | ||
1710 | #endif | ||
1711 | 1106 | fn->ops->view = FNView_Exp; | |
1712 |
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1106 | PetscFunctionReturn(PETSC_SUCCESS); |
1713 | } | ||
1714 |