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lines changed Original file line number Diff line number Diff line change 11#include " esolver_ks.h"
22
3- #include < ctime>
4- #include < iostream>
5- #ifdef __MPI
6- #include < mpi.h>
7- #else
8- #include < chrono>
9- #endif
103#include " module_base/timer.h"
114#include " module_cell/cal_atoms_info.h"
125#include " module_io/json_output/init_info.h"
158#include " module_io/print_info.h"
169#include " module_io/write_istate_info.h"
1710#include " module_parameter/parameter.h"
11+
12+ #include < ctime>
13+ #include < iostream>
1814// --------------Temporary----------------
1915#include " module_base/global_variable.h"
2016#include " module_hamilt_lcao/module_dftu/dftu.h"
Original file line number Diff line number Diff line change 1010#include " module_io/cal_test.h"
1111#include " module_psi/psi.h"
1212
13+ #ifdef __MPI
14+ #include < mpi.h>
15+ #else
16+ #include < chrono>
17+ #endif
1318#include < cstring>
1419#include < fstream>
1520namespace ModuleESolver
@@ -68,7 +73,11 @@ class ESolver_KS : public ESolver_FP
6873 std::string basisname; // PW or LCAO
6974 double esolver_KS_ne = 0.0 ;
7075 bool oscillate_esolver = false ; // whether esolver is oscillated
76+ #ifdef __MPI
7177 double iter_time; // the start time of scf iteration
78+ #else
79+ std::chrono::system_clock::time_point iter_time;
80+ #endif
7281 double diag_ethr; // the threshold for diagonalization
7382 double scf_thr; // scf density threshold
7483 double scf_ene_thr; // scf energy threshold
Original file line number Diff line number Diff line change @@ -306,7 +306,7 @@ template <typename T, typename Device>
306306void ESolver_KS_PW<T, Device>::iter_init(const int istep, const int iter)
307307{
308308 // call iter_init() of ESolver_KS
309- ESolver_KS<T>::iter_init (istep, iter);
309+ ESolver_KS<T, Device >::iter_init (istep, iter);
310310
311311 if (iter == 1 )
312312 {
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