143 lines
5.8 KiB
C++
143 lines
5.8 KiB
C++
#include <stdio.h>
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#include <stdlib.h>
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#include <sys/stat.h>
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#include <iostream>
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#include <exception>
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#include <stdexcept>
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#include <fstream>
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#include <math.h>
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#include "models/IonModel.h"
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#include "models/StokesModel.h"
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#include "models/PoissonSolver.h"
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#include "models/MultiPhysController.h"
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#include "common/Utilities.h"
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#include "analysis/ElectroChemistry.h"
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using namespace std;
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//***************************************************************************
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// Test lattice-Boltzmann Ion Model coupled with Poisson equation
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//***************************************************************************
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int main(int argc, char **argv)
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{
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// Initialize MPI and error handlers
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Utilities::startup( argc, argv );
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Utilities::MPI comm( MPI_COMM_WORLD );
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int rank = comm.getRank();
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int nprocs = comm.getSize();
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{ // Limit scope so variables that contain communicators will free before MPI_Finialize
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if (rank == 0){
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printf("********************************************************\n");
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printf("Running LBPM electrokinetic single-fluid solver \n");
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printf("********************************************************\n");
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}
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// Initialize compute device
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int device=ScaLBL_SetDevice(rank);
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NULL_USE( device );
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ScaLBL_DeviceBarrier();
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comm.barrier();
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PROFILE_ENABLE(1);
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//PROFILE_ENABLE_TRACE();
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//PROFILE_ENABLE_MEMORY();
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PROFILE_SYNCHRONIZE();
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PROFILE_START("Main");
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Utilities::setErrorHandlers();
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auto filename = argv[1];
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ScaLBL_StokesModel StokesModel(rank,nprocs,comm);
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ScaLBL_IonModel IonModel(rank,nprocs,comm);
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ScaLBL_Poisson PoissonSolver(rank,nprocs,comm);
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ScaLBL_Multiphys_Controller Study(rank,nprocs,comm);//multiphysics controller coordinating multi-model coupling
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// Load controller information
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Study.ReadParams(filename);
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// Load user input database files for Navier-Stokes and Ion solvers
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StokesModel.ReadParams(filename);
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IonModel.ReadParams(filename);
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// Setup other model specific structures
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StokesModel.SetDomain();
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StokesModel.ReadInput();
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StokesModel.Create(); // creating the model will create data structure to match the pore structure and allocate variables
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IonModel.SetDomain();
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IonModel.ReadInput();
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IonModel.Create();
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// Create analysis object
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ElectroChemistryAnalyzer Analysis(IonModel.Dm);
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// Get internal iteration number
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StokesModel.timestepMax = Study.getStokesNumIter_PNP_coupling(StokesModel.time_conv,IonModel.time_conv);
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StokesModel.Initialize(); // initializing the model will set initial conditions for variables
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IonModel.timestepMax = Study.getIonNumIter_PNP_coupling(StokesModel.time_conv,IonModel.time_conv);
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IonModel.Initialize();
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// Get maximal time converting factor based on Sotkes and Ion solvers
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//Study.getTimeConvMax_PNP_coupling(StokesModel.time_conv,IonModel.time_conv);
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// Get time conversion factor for the main iteration loop in electrokinetic single fluid simulator
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Study.time_conv_MainLoop = StokesModel.timestepMax*StokesModel.time_conv;
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// Initialize LB-Poisson model
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PoissonSolver.ReadParams(filename);
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PoissonSolver.SetDomain();
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PoissonSolver.ReadInput();
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PoissonSolver.Create();
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PoissonSolver.Initialize(Study.time_conv_MainLoop);
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if (rank == 0){
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printf("********************************************************\n");
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printf("Key Summary of LBPM electrokinetic single-fluid solver \n");
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printf(" 1. Max LB Timestep: %i [lt]\n", Study.timestepMax);
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printf(" 2. Time conversion factor per LB Timestep: %.6g [sec/lt]\n",Study.time_conv_MainLoop);
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printf(" 3. Max Physical Time: %.6g [sec]\n",Study.timestepMax*Study.time_conv_MainLoop);
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printf("********************************************************\n");
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}
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int timestep=0;
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while (timestep < Study.timestepMax){
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timestep++;
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PoissonSolver.Run(IonModel.ChargeDensity,StokesModel.UseSlippingVelBC,timestep);//solve Poisson equtaion to get steady-state electrical potental
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StokesModel.Run_Lite(IonModel.ChargeDensity, PoissonSolver.ElectricField);// Solve the N-S equations to get velocity
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IonModel.Run(StokesModel.Velocity,PoissonSolver.ElectricField); //solve for ion transport and electric potential
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if (timestep%Study.analysis_interval==0){
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Analysis.Basic(IonModel,PoissonSolver,StokesModel,timestep);
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}
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if (timestep%Study.visualization_interval==0){
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Analysis.WriteVis(IonModel,PoissonSolver,StokesModel,Study.db,timestep);
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/* PoissonSolver.getElectricPotential(timestep);
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PoissonSolver.getElectricField(timestep);
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IonModel.getIonConcentration(timestep);
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StokesModel.getVelocity(timestep);
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*/
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}
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}
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if (rank==0) printf("Save simulation raw data at maximum timestep\n");
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Analysis.WriteVis(IonModel,PoissonSolver,StokesModel,Study.db,timestep);
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if (rank==0) printf("Maximum LB timestep = %i is reached and the simulation is completed\n",Study.timestepMax);
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if (rank==0) printf("*************************************************************\n");
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PROFILE_STOP("Main");
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PROFILE_SAVE("lbpm_electrokinetic_SingleFluid_simulator",1);
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// ****************************************************
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} // Limit scope so variables that contain communicators will free before MPI_Finialize
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Utilities::shutdown();
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}
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