abacus-develop/source/source_base/global_file.cpp at develop · pplab/abacus-develop · GitHub

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//==========================================================

// AUTHOR : mohan

// DATE : 2008-11-10

//==========================================================

#include "global_file.h"

#ifdef __MPI

#include <mpi.h>

#endif

#include <unistd.h>

#include <sstream>

#include "global_function.h"

#include "source_io/module_parameter/parameter.h"

#include "global_variable.h"

#include "source_base/parallel_common.h"

#include "source_base/parallel_reduce.h"

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

// EXPLAIN : Be Called in input.cpp

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

namespace ModuleBase

{

void ModuleBase::Global_File::make_dir_out(

const std::string &suffix,

const std::string &calculation,

const bool &out_dir,

const bool &out_wfc_dir,

const int rank,

const bool &restart,

const bool out_alllog)

{

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

// USE STL FUNCTION

// NAME : system

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

#ifdef __MPI

MPI_Barrier(MPI_COMM_WORLD);

#endif

int make_dir = 0;

// mohan update 2011-05-03

std::string command0 = "test -d " + PARAM.globalv.global_out_dir + " || mkdir " + PARAM.globalv.global_out_dir;

int times = 0;

while(times<GlobalV::NPROC)

{

if(rank==times)

{

if ( system( command0.c_str() ) == 0 )

{

std::cout << " MAKE THE DIR : " << PARAM.globalv.global_out_dir << std::endl;

make_dir = 1;

}

else

{

std::cout << " PROC " << rank << " Please delete the file named by OUT.suffix !!! " << std::endl;

make_dir = 0;

}

#ifdef __MPI

Parallel_Reduce::reduce_all(make_dir);

#endif

if(make_dir>0) {break;

}

++times;

}

#ifdef __MPI

if(make_dir==0)

{

std::cout << " CAN NOT MAKE THE OUT DIR......." << std::endl;

ModuleBase::QUIT();

}

MPI_Barrier(MPI_COMM_WORLD);

#endif

if(calculation == "md")

{

int make_dir_stru = 0;

std::string command1 = "test -d " + PARAM.globalv.global_stru_dir + " || mkdir " + PARAM.globalv.global_stru_dir;

times = 0;

while(times<GlobalV::NPROC)

{

if(rank==times)

{

if ( system( command1.c_str() ) == 0 )

{

std::cout << " MAKE THE STRU DIR : " << PARAM.globalv.global_stru_dir << std::endl;

make_dir_stru = 1;

}

else

{

std::cout << " PROC " << rank << " CAN NOT MAKE THE STRU DIR !!! " << std::endl;

make_dir_stru = 0;

}

#ifdef __MPI

Parallel_Reduce::reduce_all(make_dir_stru);

#endif

if(make_dir_stru>0) { break;

}

++times;

}

#ifdef __MPI

if(make_dir_stru==0)

{

std::cout << " CAN NOT MAKE THE STRU DIR......." << std::endl;

ModuleBase::QUIT();

}

MPI_Barrier(MPI_COMM_WORLD);

#endif

}

// make dir for HS matrix output in md calculation

if((out_dir) && calculation == "md")

{

int make_dir_matrix = 0;

std::string command1 = "test -d " + PARAM.globalv.global_matrix_dir + " || mkdir " + PARAM.globalv.global_matrix_dir;

times = 0;

while(times<GlobalV::NPROC)

{

if(rank==times)

{

if ( system( command1.c_str() ) == 0 )

{

std::cout << " MAKE THE MATRIX DIR : " << PARAM.globalv.global_stru_dir << std::endl;

make_dir_matrix = 1;

}

else

{

std::cout << " PROC " << rank << " CAN NOT MAKE THE MATRIX DIR !!! " << std::endl;

make_dir_matrix = 0;

}

#ifdef __MPI

Parallel_Reduce::reduce_all(make_dir_matrix);

#endif

if(make_dir_matrix>0) { break;

}

++times;

}

#ifdef __MPI

if(make_dir_matrix==0)

{

std::cout << " CAN NOT MAKE THE MATRIX DIR......." << std::endl;

ModuleBase::QUIT();

}

MPI_Barrier(MPI_COMM_WORLD);

#endif

}

if(out_wfc_dir)

{

int make_dir_wfc = 0;

std::string command1 = "test -d " + PARAM.globalv.global_wfc_dir + " || mkdir " + PARAM.globalv.global_wfc_dir;

times = 0;

while(times<GlobalV::NPROC)

{

if(rank==times)

{

if ( system( command1.c_str() ) == 0 )

{

std::cout << " MAKE THE WFC DIR : " << PARAM.globalv.global_wfc_dir << std::endl;

make_dir_wfc = 1;

}

else

{

std::cout << " PROC " << rank << " CAN NOT MAKE THE WFC DIR !!! " << std::endl;

make_dir_wfc = 0;

}

#ifdef __MPI

Parallel_Reduce::reduce_all(make_dir_wfc);

#endif

if(make_dir_wfc>0) { break;

}

++times;

}

#ifdef __MPI

if(make_dir_wfc==0)

{

std::cout << " CAN NOT MAKE THE WFC DIR......." << std::endl;

ModuleBase::QUIT();

}

MPI_Barrier(MPI_COMM_WORLD);

#endif

}

if(PARAM.inp.of_ml_gene_data == 1)

{

int make_dir_descrip = 0;

std::string command1 = "test -d " + PARAM.globalv.global_mlkedf_descriptor_dir + " || mkdir " + PARAM.globalv.global_mlkedf_descriptor_dir;

times = 0;

while(times<GlobalV::NPROC)

{

if(rank==times)

{

if ( system( command1.c_str() ) == 0 )

{

std::cout << " MAKE THE MLKEDF DESCRIPTOR DIR : " << PARAM.globalv.global_mlkedf_descriptor_dir << std::endl;

make_dir_descrip = 1;

}

else

{

std::cout << " PROC " << rank << " CAN NOT MAKE THE MLKEDF DESCRIPTOR DIR !!! " << std::endl;

make_dir_descrip = 0;

}

#ifdef __MPI

Parallel_Reduce::reduce_all(make_dir_descrip);

#endif

if(make_dir_descrip > 0)

{

break;

}

++times;

}

#ifdef __MPI

if(make_dir_descrip == 0)

{

std::cout << " CAN NOT MAKE THE MLKEDF DESCRIPTOR DIR......." << std::endl;

ModuleBase::QUIT();

}

MPI_Barrier(MPI_COMM_WORLD);

#endif

}

if(PARAM.inp.deepks_out_freq_elec > 0)

{

int make_dir_deepks_elec = 0;

std::string command1 = "test -d " + PARAM.globalv.global_deepks_label_elec_dir + " || mkdir " + PARAM.globalv.global_deepks_label_elec_dir;

times = 0;

while(times<GlobalV::NPROC)

{

if(rank==times)

{

if ( system( command1.c_str() ) == 0 )

{

std::cout << " MAKE THE DEEPKS LABELS (ELEC) DIR : " << PARAM.globalv.global_deepks_label_elec_dir << std::endl;

make_dir_deepks_elec = 1;

}

else

{

std::cout << " PROC " << rank << " CAN NOT MAKE THE DEEPKS LABELS (ELEC) DIR !!! " << std::endl;

make_dir_deepks_elec = 0;

}

#ifdef __MPI

Parallel_Reduce::reduce_all(make_dir_deepks_elec);

#endif

if(make_dir_deepks_elec > 0)

{

break;

}

++times;

}

#ifdef __MPI

if(make_dir_deepks_elec == 0)

{

std::cout << " CAN NOT MAKE THE DEEPKS LABELS (ELEC) DIR......." << std::endl;

ModuleBase::QUIT();

}

MPI_Barrier(MPI_COMM_WORLD);

#endif

}

// mohan add 2010-09-12

if(out_alllog)

{

open_log(GlobalV::ofs_running, PARAM.globalv.log_file, calculation, restart);

#if defined(__CUDA) || defined(__ROCM)

open_log(GlobalV::ofs_device, "device" + std::to_string(rank) + ".log", calculation, restart);

#endif

}

else

{

if(rank==0)

{

open_log(GlobalV::ofs_running, PARAM.globalv.log_file, calculation, restart);

#if defined(__CUDA) || defined(__ROCM)

open_log(GlobalV::ofs_device, "device.log", calculation, restart);

#endif

}

if(rank==0)

{

open_log(GlobalV::ofs_warning, "warning.log", calculation, restart);

}

#ifdef GATHER_INFO

open_log(GlobalV::ofs_info, "math_info_" + std::to_string(rank) + ".log", calculation, restart);

#endif

return;

}

void ModuleBase::Global_File::make_dir_atom(const std::string &label)

{

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

// EXPLAIN : generate atom dir for each type of atom

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

std::stringstream ss;

ss << PARAM.globalv.global_out_dir << label << "/";

ModuleBase::GlobalFunc::MAKE_DIR(ss.str());

return;

}

void ModuleBase::Global_File::open_log(std::ofstream &ofs, const std::string &fn, const std::string &calculation, const bool &restart)

{

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

// USE GLOBAL VARIABLE :

// PARAM.globalv.global_out_dir : (default dir to store "*.log" file)

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

std::stringstream ss;

ss << PARAM.globalv.global_out_dir << fn;

if(calculation == "md" && restart)

{

ofs.open(ss.str(), std::ios::app);

}

else

{

ofs.open( ss.str() );

}

// ofs << " WELCOME TO MESIA PROGRAM." << std::endl;

// ofs << " OPEN "<<fn<<".log"<<" DONE."<<std::endl;

return;

}

void ModuleBase::Global_File::close_log( std::ofstream &ofs,const std::string &fn)

{

if(ofs)

{

ofs.close();

}

//ofs << "CLOSE "<<fn<<".log"<<" DONE."<<std::endl;

return;

}

void ModuleBase::Global_File::close_all_log(const int rank, const bool out_alllog,const std::string &calculation)

{

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

// USE GLOBAL VARIABLES :

// NAME : GlobalV::ofs_running

// NAME : GlobalV::ofs_warning

// NAME : ofs_recon

// NAME : ofs_sph_proj

// NAME : ofs_build

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

// mohan update 2011-01-13

std::stringstream ss;

if(out_alllog)

{

ss << "running_" << calculation << "_cpu" << rank << ".log";

close_log(GlobalV::ofs_running,ss.str());

#if defined(__CUDA) || defined(__ROCM)

close_log(GlobalV::ofs_device, "device" + std::to_string(rank));

#endif

}

else

{

if(rank==0)

{

ss << "running_" << calculation << ".log";

close_log(GlobalV::ofs_running,ss.str());

#if defined(__CUDA) || defined(__ROCM)

close_log(GlobalV::ofs_device, "device");

#endif

}

if (rank==0)

{

close_log(GlobalV::ofs_warning, "warning.log");

}

#ifdef GATHER_INFO

close_log(GlobalV::ofs_info, "math_info");

#endif

return;

}

abacus-develop/source/source_base/global_file.cpp at develop · pplab/abacus-develop · GitHub

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