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dzzz2001dzzz2001
committed
add some timer
1 parent e4f50ae commit 626e867

21 files changed

+77
-21
lines changed

‎source/module_hamilt_lcao/module_gint/temp_gint/gint_common.cpp‎

Lines changed: 16 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -13,6 +13,8 @@ namespace ModuleGint
1313

1414
void compose_hr_gint(HContainer<double>& hr_gint)
1515
{
16+
ModuleBase::TITLE("Gint", "compose_hr_gint");
17+
ModuleBase::timer::tick("Gint", "compose_hr_gint");
1618
for (int iap = 0; iap < hr_gint.size_atom_pairs(); iap++)
1719
{
1820
auto& ap = hr_gint.get_atom_pair(iap);
@@ -42,11 +44,14 @@ void compose_hr_gint(HContainer<double>& hr_gint)
4244
}
4345
}
4446
}
47+
ModuleBase::timer::tick("Gint", "compose_hr_gint");
4548
}
4649

4750
void compose_hr_gint(const std::vector<HContainer<double>>& hr_gint_part,
4851
HContainer<std::complex<double>>& hr_gint_full)
4952
{
53+
ModuleBase::TITLE("Gint", "compose_hr_gint");
54+
ModuleBase::timer::tick("Gint", "compose_hr_gint");
5055
for (int iap = 0; iap < hr_gint_full.size_atom_pairs(); iap++)
5156
{
5257
auto* ap = &(hr_gint_full.get_atom_pair(iap));
@@ -106,11 +111,14 @@ void compose_hr_gint(const std::vector<HContainer<double>>& hr_gint_part,
106111
}
107112
}
108113
}
114+
ModuleBase::timer::tick("Gint", "compose_hr_gint");
109115
}
110116

111117
template <typename T>
112118
void transfer_hr_gint_to_hR(const HContainer<T>& hr_gint, HContainer<T>& hR)
113119
{
120+
ModuleBase::TITLE("Gint", "transfer_hr_gint_to_hR");
121+
ModuleBase::timer::tick("Gint", "transfer_hr_gint_to_hR");
114122
#ifdef __MPI
115123
int size = 0;
116124
MPI_Comm_size(MPI_COMM_WORLD, &size);
@@ -125,6 +133,7 @@ void transfer_hr_gint_to_hR(const HContainer<T>& hr_gint, HContainer<T>& hR)
125133
#else
126134
hR.add(hr_gint);
127135
#endif
136+
ModuleBase::timer::tick("Gint", "transfer_hr_gint_to_hR");
128137
}
129138

130139
// gint_info should not have been a parameter, but it was added to initialize dm_gint_full
@@ -135,9 +144,10 @@ void transfer_dm_2d_to_gint(
135144
std::vector<HContainer<T>*> dm,
136145
std::vector<HContainer<T>>& dm_gint)
137146
{
138-
// To check whether input parameter dm_2d has been initialized
147+
ModuleBase::TITLE("Gint", "transfer_dm_2d_to_gint");
148+
ModuleBase::timer::tick("Gint", "transfer_dm_2d_to_gint");
139149
assert(PARAM.inp.nspin == dm_gint.size()
140-
&& "The size of dm should be equal to the number of spins!");
150+
&& "The size of dm_gint should be equal to the number of spins!");
141151
if(PARAM.inp.nspin != 4)
142152
{
143153
assert(dm.size() == PARAM.inp.nspin);
@@ -199,6 +209,7 @@ void transfer_dm_2d_to_gint(
199209
}
200210
}
201211
}
212+
ModuleBase::timer::tick("Gint", "transfer_dm_2d_to_gint");
202213
}
203214

204215
int globalIndex(int localindex, int nblk, int nprocs, int myproc)
@@ -220,8 +231,8 @@ void wfc_2d_to_gint(const T* wfc_2d,
220231
T* wfc_gint,
221232
const GintInfo& gint_info)
222233
{
223-
ModuleBase::TITLE("Module_gint", "wfc_2d_to_gint");
224-
ModuleBase::timer::tick("Module_gint", "wfc_2d_to_gint");
234+
ModuleBase::TITLE("Gint", "wfc_2d_to_gint");
235+
ModuleBase::timer::tick("Gint", "wfc_2d_to_gint");
225236

226237
// dimension related
227238
const int nlocal = pv.desc_wfc[2];
@@ -303,7 +314,7 @@ void wfc_2d_to_gint(const T* wfc_2d,
303314
}
304315
}
305316
#endif
306-
ModuleBase::timer::tick("Module_gint", "wfc_2d_to_gint");
317+
ModuleBase::timer::tick("Gint", "wfc_2d_to_gint");
307318
}
308319

309320
template void transfer_hr_gint_to_hR(

‎source/module_hamilt_lcao/module_gint/temp_gint/gint_dvlocal.cpp‎

Lines changed: 6 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -8,8 +8,11 @@ namespace ModuleGint
88

99
void Gint_dvlocal::cal_dvlocal()
1010
{
11+
ModuleBase::TITLE("Gint", "cal_gint_dvlocal");
12+
ModuleBase::timer::tick("Gint", "cal_gint_dvlocal");
1113
init_hr_gint_();
1214
cal_hr_gint_();
15+
ModuleBase::timer::tick("Gint", "cal_gint_dvlocal");
1316
}
1417

1518
void Gint_dvlocal::init_hr_gint_()
@@ -62,6 +65,8 @@ void Gint_dvlocal::cal_dvlocal_R_sparseMatrix(
6265
const Grid_Driver& gdriver,
6366
LCAO_HS_Arrays& hs_arrays)
6467
{
68+
ModuleBase::TITLE("Gint", "cal_dvlocal_R_sparseMatrix");
69+
ModuleBase::timer::tick("Gint", "cal_dvlocal_R_sparseMatrix");
6570
std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double>>> pvdpRx_sparseMatrix;
6671
std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double>>> pvdpRy_sparseMatrix;
6772
std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double>>> pvdpRz_sparseMatrix;
@@ -120,6 +125,7 @@ void Gint_dvlocal::cal_dvlocal_R_sparseMatrix(
120125
distribute_pvdpR_sparseMatrix(cspin, 0, nlocal, sparse_thr, pvdpRx_sparseMatrix, pv, hs_arrays);
121126
distribute_pvdpR_sparseMatrix(cspin, 1, nlocal, sparse_thr, pvdpRy_sparseMatrix, pv, hs_arrays);
122127
distribute_pvdpR_sparseMatrix(cspin, 2, nlocal, sparse_thr, pvdpRz_sparseMatrix, pv, hs_arrays);
128+
ModuleBase::timer::tick("Gint", "cal_dvlocal_R_sparseMatrix");
123129
}
124130

125131

‎source/module_hamilt_lcao/module_gint/temp_gint/gint_env_gamma.cpp‎

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -18,6 +18,8 @@ Gint_env_gamma::Gint_env_gamma(
1818

1919
void Gint_env_gamma::cal_env_band(const int iband)
2020
{
21+
ModuleBase::TITLE("Gint", "cal_gint_env");
22+
ModuleBase::timer::tick("Gint", "cal_gint_env");
2123
ModuleBase::GlobalFunc::ZEROS(rho_, gint_info_->get_local_mgrid_num());
2224
const double* wfc_gint_band = &wfc_gint_[iband * gint_info_->get_lgd()];
2325
#pragma omp parallel
@@ -38,6 +40,7 @@ void Gint_env_gamma::cal_env_band(const int iband)
3840
phi_op.cal_env_gamma(phi.data(), wfc_gint_band, gint_info_->get_trace_lo(), rho_);
3941
}
4042
}
43+
ModuleBase::timer::tick("Gint", "cal_gint_env");
4144
}
4245

4346

‎source/module_hamilt_lcao/module_gint/temp_gint/gint_env_k.cpp‎

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -23,6 +23,8 @@ Gint_env_k::Gint_env_k(
2323

2424
void Gint_env_k::cal_env_band(const int iband)
2525
{
26+
ModuleBase::TITLE("Gint", "cal_gint_env");
27+
ModuleBase::timer::tick("Gint", "cal_gint_env");
2628
ModuleBase::GlobalFunc::ZEROS(rho_, gint_info_->get_local_mgrid_num());
2729
const std::complex<double>* wfc_gint_band = &wfc_gint_[iband * gint_info_->get_lgd()];
2830
#pragma omp parallel
@@ -44,6 +46,7 @@ void Gint_env_k::cal_env_band(const int iband)
4446
npol_, gint_info_->get_lgd(), kvec_c_, kvec_d_, rho_);
4547
}
4648
}
49+
ModuleBase::timer::tick("Gint", "cal_gint_env");
4750
}
4851

4952

‎source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.cpp‎

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -8,9 +8,12 @@ namespace ModuleGint
88

99
void Gint_fvl::cal_gint()
1010
{
11+
ModuleBase::TITLE("Gint", "cal_gint_fvl");
12+
ModuleBase::timer::tick("Gint", "cal_gint_fvl");
1113
init_dm_gint_();
1214
transfer_dm_2d_to_gint(*gint_info_, dm_vec_, dm_gint_vec_);
1315
cal_fvl_svl_();
16+
ModuleBase::timer::tick("Gint", "cal_gint_fvl");
1417
}
1518

1619
void Gint_fvl::init_dm_gint_()

‎source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_gpu.cpp‎

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -9,9 +9,12 @@ namespace ModuleGint
99

1010
void Gint_fvl_gpu::cal_gint()
1111
{
12+
ModuleBase::TITLE("Gint", "cal_gint_fvl");
13+
ModuleBase::timer::tick("Gint", "cal_gint_fvl");
1214
init_dm_gint_();
1315
transfer_dm_2d_to_gint(*gint_info_, dm_vec_, dm_gint_vec_);
1416
cal_fvl_svl_();
17+
ModuleBase::timer::tick("Gint", "cal_gint_fvl");
1518
}
1619

1720
void Gint_fvl_gpu::init_dm_gint_()

‎source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.cpp‎

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -8,9 +8,12 @@ namespace ModuleGint
88

99
void Gint_fvl_meta::cal_gint()
1010
{
11+
ModuleBase::TITLE("Gint", "cal_gint_fvl");
12+
ModuleBase::timer::tick("Gint", "cal_gint_fvl");
1113
init_dm_gint_();
1214
transfer_dm_2d_to_gint(*gint_info_, dm_vec_, dm_gint_vec_);
1315
cal_fvl_svl_();
16+
ModuleBase::timer::tick("Gint", "cal_gint_fvl");
1417
}
1518

1619
void Gint_fvl_meta::init_dm_gint_()

‎source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta_gpu.cpp‎

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -9,9 +9,12 @@ namespace ModuleGint
99

1010
void Gint_fvl_meta_gpu::cal_gint()
1111
{
12+
ModuleBase::TITLE("Gint", "cal_gint_fvl");
13+
ModuleBase::timer::tick("Gint", "cal_gint_fvl");
1214
init_dm_gint_();
1315
transfer_dm_2d_to_gint(*gint_info_, dm_vec_, dm_gint_vec_);
1416
cal_fvl_svl_();
17+
ModuleBase::timer::tick("Gint", "cal_gint_fvl");
1518
}
1619

1720
void Gint_fvl_meta_gpu::init_dm_gint_()

‎source/module_hamilt_lcao/module_gint/temp_gint/gint_interface.cpp‎

Lines changed: 1 addition & 16 deletions
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,7 @@
11
#include "gint_interface.h"
22
#include "module_base/timer.h"
33
#include "module_parameter/parameter.h"
4+
#include "module_base/tool_title.h"
45

56
#include "gint_vl.h"
67
#include "gint_vl_metagga.h"
@@ -29,7 +30,6 @@ void cal_gint_vl(
2930
const double* vr_eff,
3031
HContainer<double>* hR)
3132
{
32-
ModuleBase::timer::tick("Gint", "cal_gint_vl");
3333
#ifdef __CUDA
3434
if(PARAM.inp.device == "gpu")
3535
{
@@ -41,15 +41,13 @@ void cal_gint_vl(
4141
Gint_vl gint_vl(vr_eff, hR);
4242
gint_vl.cal_gint();
4343
}
44-
ModuleBase::timer::tick("Gint", "cal_gint_vl");
4544
}
4645

4746
// nspin == 4 case
4847
void cal_gint_vl(
4948
std::vector<const double*> vr_eff,
5049
HContainer<std::complex<double>>* hR)
5150
{
52-
ModuleBase::timer::tick("Gint", "cal_gint_vl");
5351
#ifdef __CUDA
5452
if(PARAM.inp.device == "gpu")
5553
{
@@ -61,15 +59,13 @@ void cal_gint_vl(
6159
Gint_vl_nspin4 gint_vl_nspin4(vr_eff, hR);
6260
gint_vl_nspin4.cal_gint();
6361
}
64-
ModuleBase::timer::tick("Gint", "cal_gint_vl");
6562
}
6663

6764
void cal_gint_vl_metagga(
6865
const double* vr_eff,
6966
const double* vfork,
7067
HContainer<double>* hR)
7168
{
72-
ModuleBase::timer::tick("Gint", "cal_gint_vl_metagga");
7369
#ifdef __CUDA
7470
if(PARAM.inp.device == "gpu")
7571
{
@@ -81,7 +77,6 @@ void cal_gint_vl_metagga(
8177
Gint_vl_metagga gint_vl_metagga(vr_eff, vfork, hR);
8278
gint_vl_metagga.cal_gint();
8379
}
84-
ModuleBase::timer::tick("Gint", "cal_gint_vl_metagga");
8580
}
8681

8782
// nspin == 4 case
@@ -90,7 +85,6 @@ void cal_gint_vl_metagga(
9085
std::vector<const double*> vofk,
9186
HContainer<std::complex<double>>* hR)
9287
{
93-
ModuleBase::timer::tick("Gint", "cal_gint_vl_metagga");
9488
#ifdef __CUDA
9589
if(PARAM.inp.device == "gpu")
9690
{
@@ -102,15 +96,13 @@ void cal_gint_vl_metagga(
10296
Gint_vl_metagga_nspin4 gint_vl_metagga_nspin4(vr_eff, vofk, hR);
10397
gint_vl_metagga_nspin4.cal_gint();
10498
}
105-
ModuleBase::timer::tick("Gint", "cal_gint_vl_metagga");
10699
}
107100

108101
void cal_gint_rho(
109102
const std::vector<HContainer<double>*>& dm_vec,
110103
const int nspin,
111104
double **rho)
112105
{
113-
ModuleBase::timer::tick("Gint", "cal_gint_rho");
114106
#ifdef __CUDA
115107
if(PARAM.inp.device == "gpu")
116108
{
@@ -122,15 +114,13 @@ void cal_gint_rho(
122114
Gint_rho gint_rho(dm_vec, nspin, rho);
123115
gint_rho.cal_gint();
124116
}
125-
ModuleBase::timer::tick("Gint", "cal_gint_rho");
126117
}
127118

128119
void cal_gint_tau(
129120
const std::vector<HContainer<double>*>& dm_vec,
130121
const int nspin,
131122
double** tau)
132123
{
133-
ModuleBase::timer::tick("Gint", "cal_gint_tau");
134124
#ifdef __CUDA
135125
if(PARAM.inp.device == "gpu")
136126
{
@@ -142,7 +132,6 @@ void cal_gint_tau(
142132
Gint_tau gint_tau(dm_vec, nspin, tau);
143133
gint_tau.cal_gint();
144134
}
145-
ModuleBase::timer::tick("Gint", "cal_gint_tau");
146135
}
147136

148137
void cal_gint_fvl(
@@ -154,7 +143,6 @@ void cal_gint_fvl(
154143
ModuleBase::matrix* fvl,
155144
ModuleBase::matrix* svl)
156145
{
157-
ModuleBase::timer::tick("Gint", "cal_gint_fvl");
158146
#ifdef __CUDA
159147
if(PARAM.inp.device == "gpu")
160148
{
@@ -166,7 +154,6 @@ void cal_gint_fvl(
166154
Gint_fvl gint_fvl(nspin, vr_eff, dm_vec, isforce, isstress, fvl, svl);
167155
gint_fvl.cal_gint();
168156
}
169-
ModuleBase::timer::tick("Gint", "cal_gint_fvl");
170157
}
171158

172159
void cal_gint_fvl_meta(
@@ -179,7 +166,6 @@ void cal_gint_fvl_meta(
179166
ModuleBase::matrix* fvl,
180167
ModuleBase::matrix* svl)
181168
{
182-
ModuleBase::timer::tick("Gint", "cal_gint_fvl_meta");
183169
#ifdef __CUDA
184170
if(PARAM.inp.device == "gpu")
185171
{
@@ -191,7 +177,6 @@ void cal_gint_fvl_meta(
191177
Gint_fvl_meta gint_fvl_meta(nspin, vr_eff, vofk, dm_vec, isforce, isstress, fvl, svl);
192178
gint_fvl_meta.cal_gint();
193179
}
194-
ModuleBase::timer::tick("Gint", "cal_gint_fvl_meta");
195180
}
196181

197182
void cal_dvlocal_R_sparseMatrix(

‎source/module_hamilt_lcao/module_gint/temp_gint/gint_rho.cpp‎

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -8,9 +8,12 @@ namespace ModuleGint
88

99
void Gint_rho::cal_gint()
1010
{
11+
ModuleBase::TITLE("Gint", "cal_gint_rho");
12+
ModuleBase::timer::tick("Gint", "cal_gint_rho");
1113
init_dm_gint_();
1214
transfer_dm_2d_to_gint(*gint_info_, dm_vec_, dm_gint_vec_);
1315
cal_rho_();
16+
ModuleBase::timer::tick("Gint", "cal_gint_rho");
1417
}
1518

1619
void Gint_rho::init_dm_gint_()

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