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1. add filter of parallel->list in LRI::cal_loop3()
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7 files changed

+138
-17
lines changed

7 files changed

+138
-17
lines changed

‎include/RI/ri/LRI-cal_loop3.hpp‎

Lines changed: 69 additions & 16 deletions
Original file line numberDiff line numberDiff line change
@@ -71,24 +71,41 @@ void LRI<TA,Tcell,Ndim,Tdata>::cal_loop3(
7171
std::vector<std::map<TA, std::map<TAC, Tensor<Tdata>>>> Ds_result_thread(1);
7272
LRI_Cal_Tools<TA,TC,Tdata> tools(this->period, this->Ds_ab, Ds_result_thread);
7373

74+
const std::vector<TA> list_Aa01_Da = LRI_Cal_Aux::filter_list_map( this->parallel->get_list_Aa01(), this->Ds_ab[Label::ab::a] );
75+
const std::vector<TAC> list_Ab01_Db = LRI_Cal_Aux::filter_list_map( this->parallel->get_list_Ab01(), this->Ds_ab[Label::ab::b] );
76+
const std::vector<TAC> list_Aa2_Da = LRI_Cal_Aux::filter_list_set( this->parallel->get_list_Aa2(), this->index_Ds_ab[Label::ab::a][0] );
77+
const std::vector<TAC> list_Ab2_Db = LRI_Cal_Aux::filter_list_set( this->parallel->get_list_Ab2(), this->index_Ds_ab[Label::ab::b][0] );
78+
7479
for(const Label::ab_ab &label : labels)
7580
{
7681
switch(label)
7782
{
7883
case Label::ab_ab::a0b0_a1b1:
7984
{
80-
for(const TAC &Aa2 : this->parallel->get_list_Aa2())
85+
const std::vector<TA > list_Aa01 = LRI_Cal_Aux::filter_list_map( LRI_Cal_Aux::filter_list_map(
86+
list_Aa01_Da,
87+
this->Ds_ab[Label::ab::a0b0] ),
88+
this->Ds_ab[Label::ab::a1b1] );
89+
const std::vector<TAC> &list_Aa2 =
90+
list_Aa2_Da;
91+
const std::vector<TAC> list_Ab01 = LRI_Cal_Aux::filter_list_set( LRI_Cal_Aux::filter_list_set(
92+
list_Ab01_Db,
93+
this->index_Ds_ab[Label::ab::a0b0][0]),
94+
this->index_Ds_ab[Label::ab::a1b1][0]);
95+
const std::vector<TAC> &list_Ab2 =
96+
list_Ab2_Db;
97+
98+
for(const TAC &Aa2 : list_Aa2)
8199
{
82100
std::map<TAC,Tensor<Tdata>> Ds_result_fixed;
83101

84-
const std::vector<TAC> &list_Ab01 = this->parallel->get_list_Ab01();
85102
#pragma omp for schedule(dynamic) nowait
86103
for(std::size_t ib01=0; ib01<list_Ab01.size(); ++ib01)
87104
{
88105
const TAC &Ab01 = list_Ab01[ib01];
89106
// D_mul = D_a * D_a0b0 * D_a1b1
90107
Tensor<Tdata> D_mul;
91-
for(const TA &Aa01 : this->parallel->get_list_Aa01())
108+
for(const TA &Aa01 : list_Aa01)
92109
{
93110
const Tensor<Tdata> D_a = tools.get_Ds_ab(Label::ab::a, Aa01, Aa2);
94111
if(D_a.empty()) continue;
@@ -106,7 +123,7 @@ void LRI<TA,Tcell,Ndim,Tdata>::cal_loop3(
106123
if(D_mul.empty()) continue;
107124

108125
// D_result = D_mul * D_b
109-
for(const TAC &Ab2 : this->parallel->get_list_Ab2())
126+
for(const TAC &Ab2 : list_Ab2)
110127
{
111128
const Tensor<Tdata> D_b = tools.get_Ds_ab(Label::ab::b, Ab01, Ab2);
112129
if(D_b.empty()) continue;
@@ -126,11 +143,23 @@ void LRI<TA,Tcell,Ndim,Tdata>::cal_loop3(
126143

127144
case Label::ab_ab::a0b0_a1b2:
128145
{
129-
for(const TAC &Ab01 : this->parallel->get_list_Ab01())
146+
const std::vector<TA > list_Aa01 = LRI_Cal_Aux::filter_list_map( LRI_Cal_Aux::filter_list_map(
147+
list_Aa01_Da,
148+
this->Ds_ab[Label::ab::a0b0] ),
149+
this->Ds_ab[Label::ab::a1b2] );
150+
const std::vector<TAC> &list_Aa2 =
151+
list_Aa2_Da;
152+
const std::vector<TAC> list_Ab01 = LRI_Cal_Aux::filter_list_set(
153+
list_Ab01_Db,
154+
this->index_Ds_ab[Label::ab::a0b0][0]);
155+
const std::vector<TAC> list_Ab2 = LRI_Cal_Aux::filter_list_set(
156+
list_Ab2_Db,
157+
this->index_Ds_ab[Label::ab::a1b2][0]);
158+
159+
for(const TAC &Ab01 : list_Ab01)
130160
{
131161
std::map<TAC,Tensor<Tdata>> Ds_result_fixed;
132162

133-
const std::vector<TA> &list_Aa01 = this->parallel->get_list_Aa01();
134163
#pragma omp for schedule(dynamic) nowait
135164
for(std::size_t ia01=0; ia01<list_Aa01.size(); ++ia01)
136165
{
@@ -139,7 +168,7 @@ void LRI<TA,Tcell,Ndim,Tdata>::cal_loop3(
139168
if(D_a0b0.empty()) continue;
140169
// D_mul = D_b * D_a1b2
141170
Tensor<Tdata> D_mul;
142-
for(const TAC &Ab2 : this->parallel->get_list_Ab2())
171+
for(const TAC &Ab2 : list_Ab2)
143172
{
144173
const Tensor<Tdata> D_b = tools.get_Ds_ab(Label::ab::b, Ab01, Ab2);
145174
if(D_b.empty()) continue;
@@ -153,7 +182,7 @@ void LRI<TA,Tcell,Ndim,Tdata>::cal_loop3(
153182
if(D_mul.empty()) continue;
154183

155184
// D_result = D_mul * D_a * D_a0b0
156-
for(const TAC &Aa2 : this->parallel->get_list_Aa2())
185+
for(const TAC &Aa2 : list_Aa2)
157186
{
158187
const Tensor<Tdata> &D_a_transpose = Global_Func::find(Ds_a_transpose, Aa01, Aa2);
159188
if(D_a_transpose.empty()) continue;
@@ -175,11 +204,23 @@ void LRI<TA,Tcell,Ndim,Tdata>::cal_loop3(
175204

176205
case Label::ab_ab::a0b0_a2b1:
177206
{
178-
for(const TA &Aa01 : this->parallel->get_list_Aa01())
207+
const std::vector<TA > list_Aa01 = LRI_Cal_Aux::filter_list_map(
208+
list_Aa01_Da,
209+
this->Ds_ab[Label::ab::a0b0] );
210+
const std::vector<TAC> list_Aa2 = LRI_Cal_Aux::filter_list_map(
211+
list_Aa2_Da,
212+
this->Ds_ab[Label::ab::a2b1] );
213+
const std::vector<TAC> list_Ab01 = LRI_Cal_Aux::filter_list_set( LRI_Cal_Aux::filter_list_set(
214+
list_Ab01_Db,
215+
this->index_Ds_ab[Label::ab::a0b0][0]),
216+
this->index_Ds_ab[Label::ab::a2b1][0]);
217+
const std::vector<TAC> &list_Ab2 =
218+
list_Ab2_Db;
219+
220+
for(const TA &Aa01 : list_Aa01)
179221
{
180222
std::map<TAC,Tensor<Tdata>> Ds_result_fixed;
181223

182-
const std::vector<TAC> &list_Ab01 = this->parallel->get_list_Ab01();
183224
#pragma omp for schedule(dynamic) nowait
184225
for(std::size_t ib01=0; ib01<list_Ab01.size(); ++ib01)
185226
{
@@ -188,7 +229,7 @@ void LRI<TA,Tcell,Ndim,Tdata>::cal_loop3(
188229
if(D_a0b0.empty()) continue;
189230
// D_mul = D_a * D_a2b1
190231
Tensor<Tdata> D_mul;
191-
for(const TAC &Aa2 : this->parallel->get_list_Aa2())
232+
for(const TAC &Aa2 : list_Aa2)
192233
{
193234
const Tensor<Tdata> D_a = tools.get_Ds_ab(Label::ab::a, Aa01, Aa2);
194235
if(D_a.empty()) continue;
@@ -202,7 +243,7 @@ void LRI<TA,Tcell,Ndim,Tdata>::cal_loop3(
202243
if(D_mul.empty()) continue;
203244

204245
// D_result = D_mul * D_a0b0 * D_b
205-
for(const TAC &Ab2 : this->parallel->get_list_Ab2())
246+
for(const TAC &Ab2 : list_Ab2)
206247
{
207248
const Tensor<Tdata> &D_b_transpose = Global_Func::find(Ds_b_transpose, Ab01.first, TAC{Ab2.first, (Ab2.second-Ab01.second)%this->period});
208249
if(D_b_transpose.empty()) continue;
@@ -225,18 +266,30 @@ void LRI<TA,Tcell,Ndim,Tdata>::cal_loop3(
225266

226267
case Label::ab_ab::a0b0_a2b2:
227268
{
228-
for(const TA &Aa01 : this->parallel->get_list_Aa01())
269+
const std::vector<TA > list_Aa01 = LRI_Cal_Aux::filter_list_map(
270+
list_Aa01_Da,
271+
this->Ds_ab[Label::ab::a0b0] );
272+
const std::vector<TAC> list_Aa2 = LRI_Cal_Aux::filter_list_map(
273+
list_Aa2_Da,
274+
this->Ds_ab[Label::ab::a2b2] );
275+
const std::vector<TAC> list_Ab01 = LRI_Cal_Aux::filter_list_set(
276+
list_Ab01_Db,
277+
this->index_Ds_ab[Label::ab::a0b0][0]);
278+
const std::vector<TAC> list_Ab2 = LRI_Cal_Aux::filter_list_set(
279+
list_Ab2_Db,
280+
this->index_Ds_ab[Label::ab::a2b2][0]);
281+
282+
for(const TA &Aa01 : list_Aa01)
229283
{
230284
std::map<TAC,Tensor<Tdata>> Ds_result_fixed;
231285

232-
const std::vector<TAC> &list_Ab2 = this->parallel->get_list_Ab2();
233286
#pragma omp for schedule(dynamic) nowait
234287
for(std::size_t ib2=0; ib2<list_Ab2.size(); ++ib2)
235288
{
236289
const TAC &Ab2 = list_Ab2[ib2];
237290
// D_mul = D_a * D_a2b2
238291
Tensor<Tdata> D_mul;
239-
for(const TAC &Aa2 : this->parallel->get_list_Aa2())
292+
for(const TAC &Aa2 : list_Aa2)
240293
{
241294
const Tensor<Tdata> &D_a_transpose = Global_Func::find(Ds_a_transpose, Aa01, Aa2);
242295
if(D_a_transpose.empty()) continue;
@@ -250,7 +303,7 @@ void LRI<TA,Tcell,Ndim,Tdata>::cal_loop3(
250303
if(D_mul.empty()) continue;
251304

252305
// D_result = D_mul * D_a0b0 * D_b
253-
for(const TAC &Ab01 : this->parallel->get_list_Ab01())
306+
for(const TAC &Ab01 : list_Ab01)
254307
{
255308
const Tensor<Tdata> &D_b_transpose = Global_Func::find(Ds_b_transpose, Ab01.first, TAC{Ab2.first, (Ab2.second-Ab01.second)%this->period});
256309
if(D_b_transpose.empty()) continue;

‎include/RI/ri/LRI-set.hpp‎

Lines changed: 2 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -41,6 +41,8 @@ void LRI<TA,Tcell,Ndim,Tdata>::set_tensors_map2(
4141
else
4242
this->Ds_ab[label] = std::move(Ds_comm);
4343

44+
this->index_Ds_ab[label] = RI_Tools::get_index(this->Ds_ab[label]);
45+
4446
this->csm.set_tensor(label, this->Ds_ab[label]);
4547
}
4648

‎include/RI/ri/LRI.h‎

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -75,7 +75,8 @@ class LRI
7575
MPI_Comm mpi_comm;
7676
Save_Load<TA,Tcell,Ndim,Tdata> save_load;
7777

78-
std::unordered_map<Label::ab, std::map<TA, std::map<TAC, Tensor<Tdata>>>> Ds_ab;
78+
std::unordered_map<Label::ab, std::map<TA, std::map<TAC, Tensor<Tdata>>>> Ds_ab; // Ds_ab[A0][{A1,C1}]
79+
std::unordered_map<Label::ab, std::vector<std::set<TA>>> index_Ds_ab; // index_Ds_ab[0]=A1
7980

8081
public: // private:
8182
using T_cal_func = std::function<void(

‎include/RI/ri/LRI_Cal_Aux.h‎

Lines changed: 48 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -251,6 +251,54 @@ namespace LRI_Cal_Aux
251251
Ds_result_thread.resize(Ds_result.size());
252252
}
253253
}
254+
255+
template<typename TA, typename Tvalue>
256+
std::vector<TA> filter_list_map(
257+
const std::vector<TA> &list_in,
258+
const std::map<TA, Tvalue> &Ds)
259+
{
260+
std::vector<TA> list_filter;
261+
for(const TA &item : list_in)
262+
if(Ds.find(item) != Ds.end())
263+
list_filter.push_back(item);
264+
return list_filter;
265+
}
266+
267+
template<typename TA, typename TC, typename Tvalue>
268+
std::vector<std::pair<TA,TC>> filter_list_map(
269+
const std::vector<std::pair<TA,TC>> &list_in,
270+
const std::map<TA, Tvalue> &Ds)
271+
{
272+
std::vector<std::pair<TA,TC>> list_filter;
273+
for(const std::pair<TA,TC> &item : list_in)
274+
if(Ds.find(item.first) != Ds.end())
275+
list_filter.push_back(item);
276+
return list_filter;
277+
}
278+
279+
template<typename TA>
280+
std::vector<TA> filter_list_set(
281+
const std::vector<TA> &list_in,
282+
const std::set<TA> &index)
283+
{
284+
std::vector<TA> list_filter;
285+
for(const TA &item : list_in)
286+
if(index.find(item) != index.end())
287+
list_filter.push_back(item);
288+
return list_filter;
289+
}
290+
291+
template<typename TA, typename TC>
292+
std::vector<std::pair<TA,TC>> filter_list_set(
293+
const std::vector<std::pair<TA,TC>> &list_in,
294+
const std::set<TA> &index)
295+
{
296+
std::vector<std::pair<TA,TC>> list_filter;
297+
for(const std::pair<TA,TC> &item : list_in)
298+
if(index.find(item.first) != index.end())
299+
list_filter.push_back(item);
300+
return list_filter;
301+
}
254302
}
255303

256304
}

‎include/RI/ri/RI_Tools.hpp‎

Lines changed: 12 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -48,6 +48,18 @@ namespace RI_Tools
4848
}
4949
return Ds_period;
5050
}
51+
52+
template<typename TA, typename TAC, typename Tvalue>
53+
std::vector<std::set<TA>> get_index(const std::map<TA, std::map<TAC, Tvalue>> &Ds)
54+
{
55+
std::vector<std::set<TA>> index(1);
56+
std::set<TA> index_i;
57+
for(const auto &Ds_A : Ds)
58+
for(const auto &Ds_B : Ds_A.second)
59+
index_i.insert(Ds_B.first.first);
60+
index[0] = std::move(index_i);
61+
return index;
62+
}
5163
}
5264

5365
}

‎include/RI/ri/Save_Load.h‎

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -41,6 +41,7 @@ class Save_Load
4141
struct Info
4242
{
4343
std::unordered_map<Label::ab, std::map<TA, std::map<TAC, Tensor<Tdata>>>> Ds_ab;
44+
std::unordered_map<Label::ab, std::vector<std::set<TA>>> index_Ds_ab;
4445
std::unordered_map<Label::ab, std::array< std::map<TA,std::map<TAC,Tdata_real>> ,3>> csm_uplimits_square_tensor3;
4546
std::unordered_map<Label::ab, std::array< std::map<TA,std::map<TAC,Tdata_real>> ,3>> csm_uplimits_norm_tensor3;
4647
std::unordered_map<Label::ab, std::map<TA,std::map<TAC,Tdata_real>>> csm_uplimits_square_tensor2;

‎include/RI/ri/Save_Load.hpp‎

Lines changed: 4 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -14,11 +14,13 @@ template<typename TA, typename Tcell, std::size_t Ndim, typename Tdata>
1414
void Save_Load<TA,Tcell,Ndim,Tdata>::save(const std::string &name, const Label::ab &label)
1515
{
1616
this->saves[name].Ds_ab.reserve(Label::array_ab.size());
17+
this->saves[name].index_Ds_ab.reserve(Label::array_ab.size());
1718
this->saves[name].csm_uplimits_square_tensor3.reserve(Label::array_ab.size());
1819
this->saves[name].csm_uplimits_norm_tensor3 .reserve(Label::array_ab.size());
1920
this->saves[name].csm_uplimits_square_tensor2.reserve(Label::array_ab.size());
2021

2122
this->saves[name].Ds_ab[label] = std::move(this->lri.Ds_ab[label]);
23+
this->saves[name].index_Ds_ab[label] = std::move(this->lri.index_Ds_ab[label]);
2224
this->saves[name].csm_uplimits_square_tensor3[label] = std::move(this->lri.csm.uplimits_square_tensor3[label]);
2325
this->saves[name].csm_uplimits_norm_tensor3 [label] = std::move(this->lri.csm.uplimits_norm_tensor3 [label]);
2426
this->saves[name].csm_uplimits_square_tensor2[label] = std::move(this->lri.csm.uplimits_square_tensor2[label]);
@@ -42,13 +44,15 @@ template<typename TA, typename Tcell, std::size_t Ndim, typename Tdata>
4244
void Save_Load<TA,Tcell,Ndim,Tdata>::load(const std::string &name, const Label::ab &label)
4345
{
4446
assert(this->lri.Ds_ab[label].empty());
47+
assert(this->lri.index_Ds_ab[label].empty());
4548
for(std::size_t i=0; i<this->lri.csm.uplimits_square_tensor3[label].size(); ++i)
4649
assert(this->lri.csm.uplimits_square_tensor3[label][i].empty());
4750
for(std::size_t i=0; i<this->lri.csm.uplimits_norm_tensor3[label].size(); ++i)
4851
assert(this->lri.csm.uplimits_norm_tensor3[label][i].empty());
4952
assert(this->lri.csm.uplimits_square_tensor2[label].empty());
5053

5154
this->lri.Ds_ab[label] = std::move(this->saves.at(name).Ds_ab[label]);
55+
this->lri.index_Ds_ab[label] = std::move(this->saves.at(name).index_Ds_ab[label]);
5256
this->lri.csm.uplimits_square_tensor3[label] = std::move(this->saves.at(name).csm_uplimits_square_tensor3[label]);
5357
this->lri.csm.uplimits_norm_tensor3 [label] = std::move(this->saves.at(name).csm_uplimits_norm_tensor3 [label]);
5458
this->lri.csm.uplimits_square_tensor2[label] = std::move(this->saves.at(name).csm_uplimits_square_tensor2[label]);

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