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32390e802bd84a8b85ac02a90a3d31cf205dd5b7
geant4/examples/advanced/dna/dsbandrepair/dsbandrepair.cc
T
Gabriele Cosmo 32390e802b Import Geant4 11.3.0 source tree
2024-12-06 11:11:40 +01:00

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//
// ********************************************************************
// * License and Disclaimer *
// * *
// * The Geant4 software is copyright of the Copyright Holders of *
// * the Geant4 Collaboration. It is provided under the terms and *
// * conditions of the Geant4 Software License, included in the file *
// * LICENSE and available at http://cern.ch/geant4/license . These *
// * include a list of copyright holders. *
// * *
// * Neither the authors of this software system, nor their employing *
// * institutes,nor the agencies providing financial support for this *
// * work make any representation or warranty, express or implied, *
// * regarding this software system or assume any liability for its *
// * use. Please see the license in the file LICENSE and URL above *
// * for the full disclaimer and the limitation of liability. *
// * *
// * This code implementation is the result of the scientific and *
// * technical work of the GEANT4 collaboration. *
// * By using, copying, modifying or distributing the software (or *
// * any work based on the software) you agree to acknowledge its *
// * use in resulting scientific publications, and indicate your *
// * acceptance of all terms of the Geant4 Software license. *
// ********************************************************************
//
// author: Le Tuan Anh, 20/10/2023
/// \file main.cc
/// \brief Main program of the dsbandrepair
#include "G4UImanager.hh"
#include "G4UIterminal.hh"
#include "G4UItcsh.hh"
#include "G4UIExecutive.hh"
#include "G4RunManagerFactory.hh"
#ifdef G4VIS_USE
#include "G4VisExecutive.hh"
#endif
#include "G4Timer.hh"
#include "G4ExceptionSeverity.hh"
#include "G4DNAChemistryManager.hh"
#include "G4VisExecutive.hh"
#include "G4Filesystem.hh"
#include "ActionInitialization.hh"
#include "DetectorConstruction.hh"
#include "PhysicsList.hh"
#include "Analysis.hh"
#ifdef USE_MPI
#include "G4MPImanager.hh"
#include "G4MPIsession.hh"
#include "G4MPIextraWorker.hh"
#endif
#include <ctime>
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4String ExtractChemListNameFromMacroFile(G4String);
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
int main(int argc,char** argv)
{
#ifdef USE_MPI
G4MPImanager* g4MPI = new G4MPImanager(argc, argv, 0);
g4MPI->SetVerbose(1);
G4MPIsession* session = g4MPI-> GetMPIsession();
G4String prompt = "";
prompt += "G4MPI";
prompt += "(%s)[%/]:";
session-> SetPrompt(prompt);
#else
G4UIExecutive* ui = nullptr;
if ( argc == 1 ) { ui = new G4UIExecutive(argc, argv); }
#endif // USE_MPI
if (argc < 2) {
G4cerr<<"====>> Wrong input. To run Physgeo, type : ./dsbandrepair macrofile\n"
<<"To run Chem_geo, type : ./dsbandrepair macrofile chem"<<G4endl;
#ifdef USE_MPI
delete g4MPI;
#endif // USE_MPI
return EXIT_SUCCESS;
}
G4String stgstr = "";
G4String macrofileName = argv[1];
if (argc > 2) {
const G4String rmode = argv[2];
if (rmode == "phys") gRunMode = RunningMode::Phys;
else if (rmode == "chem") gRunMode = RunningMode::Chem;
else {
G4cout<<"Undefined Running Mode = "<<rmode<<" ;dsbansrepair will quit now. See you!\n";
#ifdef USE_MPI
delete g4MPI;
#endif // USE_MPI
return EXIT_SUCCESS;
}
}
// Choose the Random engine
time_t timeStart;
time(&timeStart);
unsigned long seed = timeStart;
#ifdef USE_MPI
// Le Tuan Anh: add rankID to get different seeds for multi parallel processes
seed += g4MPI->GetRank();
#endif // USE_MPI
G4cout<<"Initial Seed for random engine: "<<seed<<G4endl;
CLHEP::HepRandom::setTheEngine(new CLHEP::MTwistEngine);
CLHEP::HepRandom::setTheSeed(seed);
G4RunManager* runManager{nullptr};
auto analysis = Analysis::GetAnalysis();
if (gRunMode == RunningMode::Phys) {
stgstr = "physical stage";
runManager = G4RunManagerFactory::CreateRunManager(G4RunManagerType::Default);
#ifdef G4MULTITHREADED
G4int threadNumber= 1;
runManager-> SetNumberOfThreads(threadNumber);
#endif // G4MULTITHREADED
#ifdef USE_MPI
stgstr += " in #rank"+std::to_string(g4MPI->GetRank());
if (g4MPI->IsMaster()) analysis->CheckAndCreateNewFolderInPhysStage();
#else
analysis->CheckAndCreateNewFolderInPhysStage();
#endif
} else if (gRunMode == RunningMode::Chem) {
stgstr = "chemical stage";
runManager = G4RunManagerFactory::CreateRunManager(G4RunManagerType::Serial);
G4DNAChemistryManager::Instance()->SetChemistryActivation(true);
G4Scheduler::Instance();
}
DetectorConstruction* detector = new DetectorConstruction(1.,0,false);
runManager->SetUserInitialization(detector);
PhysicsList* physList = new PhysicsList;
ActionInitialization* actionIni = new ActionInitialization();
if (gRunMode == RunningMode::Phys) {
runManager->SetUserInitialization(physList);
runManager->SetUserInitialization(actionIni);
#ifdef USE_MPI
session-> SessionStart();
if (g4MPI->GetRank() == 0 ){
analysis->WritePhysGeo();
}
#else
// Get the pointer to the User Interface manager
G4UImanager* UImanager = G4UImanager::GetUIpointer();
// Process macro or start UI session
if ( ! ui ) {
// batch mode
G4String command = "/control/execute ";
UImanager->ApplyCommand(command+macrofileName);
}
analysis->WritePhysGeo();
#endif // USE_MPI
}
if (gRunMode == RunningMode::Chem) {
//get the pointer to the User Interface manager
G4UImanager* UI = G4UImanager::GetUIpointer();
#ifdef USE_MPI
session->SessionStart();
stgstr += " in #rank"+std::to_string(g4MPI->GetRank());
if (g4MPI->IsMaster()) analysis->CheckAndCreateNewFolderInChemStage();
#else
G4String command = "/control/execute ";
UI->ApplyCommand(command+macrofileName);
analysis->CheckAndCreateNewFolderInChemStage();
#endif
//------------------------------------------
// Prepare input file
//------------------------------------------
std::string inputFileorFolder = "chem_input";
if (argc == 4) inputFileorFolder = argv[3];
G4fs::path p{inputFileorFolder};
G4String outputFileName = "test";
std::vector<G4String> totalNumberofFilesVector, numberOfFilesTobeProcessedVector;
if (G4fs::is_directory(p)) {
for (const auto& entry : G4fs::directory_iterator(p)) {
if (entry.path().extension() == ".dat") {
totalNumberofFilesVector.push_back(entry.path().string());
}
}
std::sort(totalNumberofFilesVector.begin(),totalNumberofFilesVector.end());
#ifdef USE_MPI
G4int numberofRanks = g4MPI->GetActiveSize();
size_t filesTobeProcessedSlave = (size_t)(
std::floor(G4double(totalNumberofFilesVector.size())/G4double(numberofRanks)));
// note: should not use "std::ceil"
size_t filesTobeProcessedMaster =
totalNumberofFilesVector.size() - (numberofRanks-1)*filesTobeProcessedSlave;
if (g4MPI->IsMaster()) {
for (size_t ii=0; ii< filesTobeProcessedMaster; ii++) {
numberOfFilesTobeProcessedVector.push_back(totalNumberofFilesVector.at(ii));
}
} else {
for (size_t ii=0; ii< filesTobeProcessedSlave; ii++) {
auto rankID = g4MPI->GetRank();
size_t kk = filesTobeProcessedMaster + (rankID-1)*filesTobeProcessedSlave + ii;
numberOfFilesTobeProcessedVector.push_back(totalNumberofFilesVector.at(kk));
}
}
G4cout<<"-----> "<<numberOfFilesTobeProcessedVector.size()
<<" files will be processed on rank #"<<g4MPI->GetRank()<<G4endl;
#else
numberOfFilesTobeProcessedVector = totalNumberofFilesVector;
#endif
if (totalNumberofFilesVector.size() == 0) {
G4cout<<"===>> There is no files found in "<<inputFileorFolder
<<". You have to run Phys_geo first!!!"<<G4endl;
#ifdef USE_MPI
delete g4MPI;
#endif // USE_MPI
delete runManager;
return EXIT_SUCCESS;
} else {
G4cout<<"===>> Total files found in "<<inputFileorFolder
<<" : "<<totalNumberofFilesVector.size()<<G4endl;
}
} else if (G4fs::is_regular_file(p)) {
numberOfFilesTobeProcessedVector.push_back(inputFileorFolder);
if (p.has_stem()) {
outputFileName = p.stem().string();
} else outputFileName = inputFileorFolder;
}
else G4cout<<"===>>dsbandrepair: "<<p.string()<<" is Not Directory or file !!!"<<G4endl;
G4String firstFileForInit="";
if (numberOfFilesTobeProcessedVector.size()>0) {
firstFileForInit=numberOfFilesTobeProcessedVector.at(0);
detector->ParseGeoFileForChemMode(firstFileForInit); // read to build voxel
}
//------------------------------------------
// Initialization classes
//------------------------------------------
runManager->SetUserInitialization(physList);
runManager->SetUserInitialization(actionIni);
runManager->Initialize();
if (numberOfFilesTobeProcessedVector.size()>0) {
size_t nprocessedfiles{0}, ncounts{1};
if (numberOfFilesTobeProcessedVector.size()>=100) ncounts=10;
if (numberOfFilesTobeProcessedVector.size()>=10000) ncounts=100;
if (numberOfFilesTobeProcessedVector.size()>=1000000) ncounts=500;
for (auto const &fileInput : numberOfFilesTobeProcessedVector) {
G4fs::path aP{std::string(fileInput)};
if (aP.has_stem()) {
outputFileName = aP.stem().string();
} else outputFileName = fileInput;
analysis->SetFileName(outputFileName);
if (fileInput != firstFileForInit) detector->ParseGeoFileForChemMode(fileInput);
detector->InsertMoleculeInWorld();
UI->ApplyCommand("/run/beamOn 1");
nprocessedfiles++;
if (nprocessedfiles == 1 ||
nprocessedfiles == numberOfFilesTobeProcessedVector.size() ||
0 == (nprocessedfiles % ncounts)) {
G4cout<<"=====> Processed file: "<<nprocessedfiles<<"-th/("
<<numberOfFilesTobeProcessedVector.size()<<" files)"
#ifdef USE_MPI
<<" in rank #"<<g4MPI->GetRank()
#endif
<<"!!!"<<G4endl;
}
}
} else {
UI->ApplyCommand("/run/beamOn 1");
}
}
#ifdef USE_MPI
delete g4MPI;
#endif // USE_MPI
delete runManager;
G4cout <<"----------------------> Finish "<<stgstr<<"!!! Good bye :) <----------------------"<<G4endl;
return EXIT_SUCCESS;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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