LBPM/tests/lbpm_nernst_planck_simulator.cpp
2022-10-27 08:15:21 -04:00

136 lines
5.5 KiB
C++

#include <stdio.h>
#include <stdlib.h>
#include <sys/stat.h>
#include <iostream>
#include <exception>
#include <stdexcept>
#include <fstream>
#include <math.h>
#include "models/IonModel.h"
#include "models/PoissonSolver.h"
#include "models/MultiPhysController.h"
#include "common/Utilities.h"
#include "analysis/ElectroChemistry.h"
using namespace std;
int main(int argc, char **argv)
{
// Initialize MPI and error handlers
Utilities::startup( argc, argv );
Utilities::MPI comm( MPI_COMM_WORLD );
int rank = comm.getRank();
int nprocs = comm.getSize();
{ // Limit scope so variables that contain communicators will free before MPI_Finialize
if (rank == 0){
printf("*************************************************\n");
printf("Running LBPM Nernst-Planck solver \n");
printf("*************************************************\n");
}
// Initialize compute device
int device=ScaLBL_SetDevice(rank);
NULL_USE( device );
ScaLBL_DeviceBarrier();
comm.barrier();
PROFILE_ENABLE(1);
//PROFILE_ENABLE_TRACE();
//PROFILE_ENABLE_MEMORY();
PROFILE_SYNCHRONIZE();
PROFILE_START("Main");
Utilities::setErrorHandlers();
auto filename = argv[1];
ScaLBL_IonModel IonModel(rank,nprocs,comm);
ScaLBL_Poisson PoissonSolver(rank,nprocs,comm);
ScaLBL_Multiphys_Controller Study(rank,nprocs,comm);//multiphysics controller coordinating multi-model coupling
// Load controller information
Study.ReadParams(filename);
// Load user input database files for Ion solvers
IonModel.ReadParams(filename);
IonModel.SetDomain();
IonModel.ReadInput();
IonModel.Create();
// Create analysis object
//ElectroChemistryAnalyzer Analysis(IonModel.Dm);
//IonModel.timestepMax = Study.getIonNumIter_PNP_coupling(StokesModel.time_conv,IonModel.time_conv);
IonModel.timestepMax = Study.getIonNumIter_NernstPlanck_coupling(IonModel.time_conv);
IonModel.Initialize();
IonModel.DummyFluidVelocity();
// Get maximal time converting factor based on Sotkes and Ion solvers
//Study.getTimeConvMax_PNP_coupling(StokesModel.time_conv,IonModel.time_conv);
// Get time conversion factor for the main iteration loop in electrokinetic single fluid simulator
Study.time_conv_MainLoop = IonModel.timestepMax[0]*IonModel.time_conv[0];
//----------------------------------- print out for debugging ------------------------------------------//
if (rank==0){
for (size_t i=0;i<IonModel.timestepMax.size();i++){
printf("Main loop time_conv computed from ion %lu: %.5g[s/lt]\n",i+1,IonModel.timestepMax[i]*IonModel.time_conv[i]);
}
}
//----------------------------------- print out for debugging ------------------------------------------//
// Initialize LB-Poisson model
PoissonSolver.ReadParams(filename);
PoissonSolver.SetDomain();
PoissonSolver.ReadInput();
PoissonSolver.Create();
PoissonSolver.Initialize(Study.time_conv_MainLoop);
if (rank == 0){
printf("********************************************************\n");
printf("Key Summary of LBPM electrokinetic single-fluid solver \n");
printf(" 1. Max LB Timestep: %i [lt]\n", Study.timestepMax);
printf(" 2. Time conversion factor per LB Timestep: %.6g [sec/lt]\n",Study.time_conv_MainLoop);
printf(" 3. Max Physical Time: %.6g [sec]\n",Study.timestepMax*Study.time_conv_MainLoop);
printf("********************************************************\n");
}
int timestep=0;
while (timestep < Study.timestepMax){
timestep++;
PoissonSolver.Run(IonModel.ChargeDensity,false,timestep);//solve Poisson equtaion to get steady-state electrical potental
//StokesModel.Run_Lite(IonModel.ChargeDensity, PoissonSolver.ElectricField);// Solve the N-S equations to get velocity
IonModel.Run(IonModel.FluidVelocityDummy,PoissonSolver.ElectricField); //solve for ion transport and electric potential
//if (timestep%Study.analysis_interval==0){
// Analysis.Basic(IonModel,PoissonSolver,StokesModel,timestep);
//}
if (timestep%Study.visualization_interval==0){
//Analysis.WriteVis(IonModel,PoissonSolver,StokesModel,Study.db,timestep);
PoissonSolver.getElectricPotential_debug(timestep);
PoissonSolver.getElectricField_debug(timestep);
IonModel.getIonConcentration_debug(timestep);
//StokesModel.getVelocity(timestep);
}
}
//if (rank==0) printf("Save simulation raw data at maximum timestep\n");
//Analysis.WriteVis(IonModel,PoissonSolver,StokesModel,Study.db,timestep);
if (rank==0) printf("Maximum LB timestep = %i is reached and the simulation is completed\n",Study.timestepMax);
if (rank==0) printf("*************************************************************\n");
PROFILE_STOP("Main");
PROFILE_SAVE("lbpm_nernst_planck_simulator",1);
// ****************************************************
} // Limit scope so variables that contain communicators will free before MPI_Finialize
Utilities::shutdown();
}