#include "driver.h"

#include "input.h"

#include "input_conv.h"

#include "src_pw/global.h"

#ifdef __LCAO

#include "src_lcao/global_fp.h"

#endif

#include "module_base/memory.h"

#include "module_base/timer.h"

#include "module_esolver/esolver.h"

#include "src_io/cal_test.h"

#include "src_io/print_info.h"

#include "src_io/winput.h"

Driver::Driver()

{

}

Driver::~Driver()

{

}

void Driver::init()

{

ModuleBase::TITLE("Driver", "init");

time_t time_start = std::time(NULL);

ModuleBase::timer::start();

// (1) read the input parameters.

this->reading();

// (2) welcome to the atomic world!

this->atomic_world();

// (3) output information

time_t time_finish = std::time(NULL);

Print_Info::print_time(time_start, time_finish);

// (4) close all of the running logs

INPUT.close_log();

return;

}

void Driver::reading(void)

{

ModuleBase::timer::tick("Driver", "reading");

// (1) read INPUT

INPUT.Init(GlobalV::global_in_card);

// (2) copy the variables from INPUT to each class

Input_Conv::Convert();

// (3) define the 'DIAGONALIZATION' world in MPI

Parallel_Global::split_diag_world(GlobalV::DIAGO_PROC);

Parallel_Global::split_grid_world(GlobalV::DIAGO_PROC);

ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "DRANK", GlobalV::DRANK + 1);

ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "DSIZE", GlobalV::DSIZE);

ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "DCOLOR", GlobalV::DCOLOR + 1);

ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "GRANK", GlobalV::GRANK + 1);

ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "GSIZE", GlobalV::GSIZE);

#ifdef __MPI

// (4) divide the GlobalV::NPROC processors into GlobalV::KPAR for k-points parallelization.

GlobalC::Pkpoints.init_pools();

#endif

// (5) Read in parameters about wannier functions.

winput::Init(GlobalV::global_wannier_card);

// (6) Print the parameters into INPUT file.

std::stringstream ss1;

ss1 << GlobalV::global_out_dir << GlobalV::global_in_card;

INPUT.Print(ss1.str());

// ModuleBase::GlobalFunc::DONE(GlobalV::ofs_running,"READING CARDS");

ModuleBase::timer::tick("Driver", "reading");

return;

}

void Driver::atomic_world(void)

{

ModuleBase::TITLE("Driver", "atomic_world");

//--------------------------------------------------

// choose basis sets:

// pw: plane wave basis set

// lcao_in_pw: LCAO expaned by plane wave basis set

// lcao: linear combination of atomic orbitals

//--------------------------------------------------

// where the actual stuff is done

this->driver_run();

ModuleBase::timer::finish(GlobalV::ofs_running);

ModuleBase::Memory::print_all(GlobalV::ofs_running);

return;

}