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Merge branch 'FOM_dev' of github.com:JamesEMcClure/LBPM-WIA into FOM_dev

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This commit is contained in:
James McClure 2021-02-09 15:25:40 -05:00
commit 41814df509
7 changed files with 1153 additions and 191 deletions
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10
common/ScaLBL.h
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@ -180,7 +180,9 @@ extern "C" void ScaLBL_D3Q19_Gradient_DFH(int *NeighborList, double *Phi, double
// FREE ENERGY LEE MODEL
extern "C" void ScaLBL_D3Q19_FreeLeeModel_Init(double *gqbar, double *mu_phi, double *ColorGrad, double Fx, double Fy, double Fz, int Np);
extern "C" void ScaLBL_D3Q19_FreeLeeModel_TwoFluid_Init(double *gqbar, double *mu_phi, double *ColorGrad, double Fx, double Fy, double Fz, int Np);
extern "C" void ScaLBL_D3Q19_FreeLeeModel_SingleFluid_Init(double *gqbar, double Fx, double Fy, double Fz, int Np);
extern "C" void ScaLBL_FreeLeeModel_PhaseField_Init(int *Map, double *Phi, double *Den, double *hq, double *ColorGrad,
double rhonA, double rhoB, double tauM, double W, int start, int finish, int Np);
@ -199,6 +201,12 @@ extern "C" void ScaLBL_D3Q19_AAeven_FreeLeeModel(int *Map, double *dist, double
double rhoA, double rhoB, double tauA, double tauB, double tauM, double kappa, double beta, double W, double Fx, double Fy, double Fz,
int strideY, int strideZ, int start, int finish, int Np);
extern "C" void ScaLBL_D3Q19_AAodd_FreeLeeModel_SingleFluid_BGK(int *neighborList, double *dist, double *Vel, double *Pressure,
double tau, double rho0, double Fx, double Fy, double Fz, int start, int finish, int Np);
extern "C" void ScaLBL_D3Q19_AAeven_FreeLeeModel_SingleFluid_BGK(double *dist, double *Vel, double *Pressure,
double tau, double rho0, double Fx, double Fy, double Fz, int start, int finish, int Np);
// BOUNDARY CONDITION ROUTINES

954
cpu/FreeLee.cpp
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File diff suppressed because it is too large Load Diff

288
models/FreeLeeModel.cpp
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@ -12,6 +12,7 @@ color lattice boltzmann model
ScaLBL_FreeLeeModel::ScaLBL_FreeLeeModel(int RANK, int NP, const Utilities::MPI& COMM):
rank(RANK), nprocs(NP), Restart(0),timestep(0),timestepMax(0),tauA(0),tauB(0),tauM(0),rhoA(0),rhoB(0),W(0),gamma(0),kappa(0),beta(0),
Fx(0),Fy(0),Fz(0),flux(0),din(0),dout(0),inletA(0),inletB(0),outletA(0),outletB(0),
tau(0),rho0(0),
Nx(0),Ny(0),Nz(0),N(0),Np(0),nprocx(0),nprocy(0),nprocz(0),BoundaryCondition(0),Lx(0),Ly(0),Lz(0),comm(COMM)
{
@ -32,6 +33,8 @@ void ScaLBL_FreeLeeModel::ReadParams(string filename){
tauA = tauB = 1.0;
tauM = 1.0;//relaxation time for phase field
rhoA = rhoB = 1.0;
tau = 1.0;//only for single-fluid Lee model
rho0 = 1.0;//only for single-fluid Lee model
Fx = Fy = Fz = 0.0;
gamma=1e-3;//surface tension
W=5.0;//interfacial thickness
@ -45,6 +48,9 @@ void ScaLBL_FreeLeeModel::ReadParams(string filename){
if (freelee_db->keyExists( "timestepMax" )){
timestepMax = freelee_db->getScalar<int>( "timestepMax" );
}
if (freelee_db->keyExists( "tau" )){//only for single-fluid Lee model
tau = freelee_db->getScalar<double>( "tau" );
}
if (freelee_db->keyExists( "tauA" )){
tauA = freelee_db->getScalar<double>( "tauA" );
}
@ -54,6 +60,9 @@ void ScaLBL_FreeLeeModel::ReadParams(string filename){
if (freelee_db->keyExists( "tauM" )){
tauM = freelee_db->getScalar<double>( "tauM" );
}
if (freelee_db->keyExists( "rho0" )){
rho0 = freelee_db->getScalar<double>( "rho0" );
}
if (freelee_db->keyExists( "rhoA" )){
rhoA = freelee_db->getScalar<double>( "rhoA" );
}
@ -193,9 +202,9 @@ void ScaLBL_FreeLeeModel::ReadInput(){
}
void ScaLBL_FreeLeeModel::Create(){
void ScaLBL_FreeLeeModel::Create_TwoFluid(){
/*
* This function creates the variables needed to run a LBM
* This function creates the variables needed to run two-fluid Lee model
*/
//.........................................................
// Initialize communication structures in averaging domain
@ -207,7 +216,7 @@ void ScaLBL_FreeLeeModel::Create(){
// Create a communicator for the device (will use optimized layout)
// ScaLBL_Communicator ScaLBL_Comm(Mask); // original
ScaLBL_Comm = std::shared_ptr<ScaLBL_Communicator>(new ScaLBL_Communicator(Mask));
ScaLBL_Comm_Regular = std::shared_ptr<ScaLBL_Communicator>(new ScaLBL_Communicator(Mask));
//ScaLBL_Comm_Regular = std::shared_ptr<ScaLBL_Communicator>(new ScaLBL_Communicator(Mask));
ScaLBL_Comm_WideHalo = std::shared_ptr<ScaLBLWideHalo_Communicator>(new ScaLBLWideHalo_Communicator(Mask,2));
// create the layout for the LBM
@ -276,6 +285,51 @@ void ScaLBL_FreeLeeModel::Create(){
delete [] neighborList;
}
void ScaLBL_FreeLeeModel::Create_SingleFluid(){
/*
* This function creates the variables needed to run single-fluid Lee model
*/
//.........................................................
// Initialize communication structures in averaging domain
for (int i=0; i<Nx*Ny*Nz; i++) Dm->id[i] = Mask->id[i];
Mask->CommInit();
Np=Mask->PoreCount();
//...........................................................................
if (rank==0) printf ("Create ScaLBL_Communicator \n");
// Create a communicator for the device (will use optimized layout)
// ScaLBL_Communicator ScaLBL_Comm(Mask); // original
ScaLBL_Comm = std::shared_ptr<ScaLBL_Communicator>(new ScaLBL_Communicator(Mask));
// create the layout for the LBM
int Npad=(Np/16 + 2)*16;
if (rank==0) printf ("Set up memory efficient layout, %i | %i | %i \n", Np, Npad, N);
Map.resize(Nx,Ny,Nz); Map.fill(-2);
auto neighborList= new int[18*Npad];
Np = ScaLBL_Comm->MemoryOptimizedLayoutAA(Map,neighborList,Mask->id.data(),Np,1);
comm.barrier();
//...........................................................................
// MAIN VARIABLES ALLOCATED HERE
//...........................................................................
// LBM variables
if (rank==0) printf ("Allocating distributions \n");
//......................device distributions.................................
dist_mem_size = Np*sizeof(double);
neighborSize=18*(Np*sizeof(int));
//...........................................................................
ScaLBL_AllocateDeviceMemory((void **) &NeighborList, neighborSize);
ScaLBL_AllocateDeviceMemory((void **) &gqbar, 19*dist_mem_size);
ScaLBL_AllocateDeviceMemory((void **) &Pressure, sizeof(double)*Np);
ScaLBL_AllocateDeviceMemory((void **) &Velocity, 3*sizeof(double)*Np);
//...........................................................................
// Update GPU data structures
if (rank==0) printf ("Setting up device map and neighbor list \n");
// copy the neighbor list
ScaLBL_CopyToDevice(NeighborList, neighborList, neighborSize);
comm.barrier();
delete [] neighborList;
}
void ScaLBL_FreeLeeModel::AssignComponentLabels_ChemPotential_ColorGrad()
{
double *phase;
@ -466,21 +520,31 @@ void ScaLBL_FreeLeeModel::AssignComponentLabels_ChemPotential_ColorGrad()
ScaLBL_CopyToDevice(mu_phi, mu_phi_host, Np*sizeof(double));
ScaLBL_Comm->Barrier();
comm.barrier();
//debug
//save the phase field and check it
//FILE *OUTFILE;
//sprintf(LocalRankFilename,"Phase_Init.%05i.raw",rank);
//OUTFILE = fopen(LocalRankFilename,"wb");
//fwrite(phase,8,Nh,OUTFILE);
//fclose(OUTFILE);
delete [] phase;
delete [] ColorGrad_host;
delete [] mu_phi_host;
delete [] Dst;
}
void ScaLBL_FreeLeeModel::Initialize(){
void ScaLBL_FreeLeeModel::Initialize_TwoFluid(){
/*
* This function initializes model
* This function initializes two-fluid Lee model
*/
if (rank==0) printf ("Initializing phase field, chemical potential and color gradient\n");
AssignComponentLabels_ChemPotential_ColorGrad();//initialize phase field Phi
if (rank==0) printf ("Initializing distributions for momentum transport\n");
ScaLBL_D3Q19_FreeLeeModel_Init(gqbar, mu_phi, ColorGrad, Fx, Fy, Fz, Np);
ScaLBL_D3Q19_FreeLeeModel_TwoFluid_Init(gqbar, mu_phi, ColorGrad, Fx, Fy, Fz, Np);
if (rank==0) printf ("Initializing density field and distributions for phase-field transport\n");
ScaLBL_FreeLeeModel_PhaseField_Init(dvcMap, Phi, Den, hq, ColorGrad, rhoA, rhoB, tauM, W, 0, ScaLBL_Comm->LastExterior(), Np);
@ -568,7 +632,84 @@ void ScaLBL_FreeLeeModel::Initialize(){
//ScaLBL_CopyToHost(Averages->Phi.data(),Phi,N*sizeof(double));
}
void ScaLBL_FreeLeeModel::Run(){
void ScaLBL_FreeLeeModel::Initialize_SingleFluid(){
/*
* This function initializes single-fluid Lee model
*/
if (rank==0) printf ("Initializing distributions for momentum transport\n");
ScaLBL_D3Q19_FreeLeeModel_SingleFluid_Init(gqbar, Fx, Fy, Fz, Np);
if (Restart == true){
//TODO need to revise this function
//remove the phase-related part
// if (rank==0){
// printf("Reading restart file! \n");
// }
//
// // Read in the restart file to CPU buffers
// int *TmpMap;
// TmpMap = new int[Np];
//
// double *cPhi, *cDist, *cDen;
// cPhi = new double[N];
// cDen = new double[2*Np];
// cDist = new double[19*Np];
// ScaLBL_CopyToHost(TmpMap, dvcMap, Np*sizeof(int));
// //ScaLBL_CopyToHost(cPhi, Phi, N*sizeof(double));
//
// ifstream File(LocalRestartFile,ios::binary);
// int idx;
// double value,va,vb;
// for (int n=0; n<Np; n++){
// File.read((char*) &va, sizeof(va));
// File.read((char*) &vb, sizeof(vb));
// cDen[n] = va;
// cDen[Np+n] = vb;
// }
// for (int n=0; n<Np; n++){
// // Read the distributions
// for (int q=0; q<19; q++){
// File.read((char*) &value, sizeof(value));
// cDist[q*Np+n] = value;
// }
// }
// File.close();
//
// for (int n=0; n<ScaLBL_Comm->LastExterior(); n++){
// va = cDen[n];
// vb = cDen[Np + n];
// value = (va-vb)/(va+vb);
// idx = TmpMap[n];
// if (!(idx < 0) && idx<N)
// cPhi[idx] = value;
// }
// for (int n=ScaLBL_Comm->FirstInterior(); n<ScaLBL_Comm->LastInterior(); n++){
// va = cDen[n];
// vb = cDen[Np + n];
// value = (va-vb)/(va+vb);
// idx = TmpMap[n];
// if (!(idx < 0) && idx<N)
// cPhi[idx] = value;
// }
//
// // Copy the restart data to the GPU
// ScaLBL_CopyToDevice(Den,cDen,2*Np*sizeof(double));
// ScaLBL_CopyToDevice(gqbar,cDist,19*Np*sizeof(double));
// ScaLBL_CopyToDevice(Phi,cPhi,N*sizeof(double));
// ScaLBL_Comm->Barrier();
// comm.barrier();
//
// if (rank==0) printf ("Initializing phase and density fields on device from Restart\n");
// //TODO the following function is to be updated.
// //ScaLBL_FreeLeeModel_PhaseField_InitFromRestart(Den, hq, 0, ScaLBL_Comm->LastExterior(), Np);
// //ScaLBL_FreeLeeModel_PhaseField_InitFromRestart(Den, hq, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
}
}
void ScaLBL_FreeLeeModel::Run_TwoFluid(){
int nprocs=nprocx*nprocy*nprocz;
const RankInfoStruct rank_info(rank,nprocx,nprocy,nprocz);
@ -694,8 +835,105 @@ void ScaLBL_FreeLeeModel::Run(){
// ************************************************************************
}
void ScaLBL_FreeLeeModel::Run_SingleFluid(){
int nprocs=nprocx*nprocy*nprocz;
const RankInfoStruct rank_info(rank,nprocx,nprocy,nprocz);
if (rank==0){
printf("********************************************************\n");
printf("No. of timesteps: %i \n", timestepMax);
fflush(stdout);
}
void ScaLBL_FreeLeeModel::WriteDebug(){
//.......create and start timer............
double starttime,stoptime,cputime;
ScaLBL_Comm->Barrier();
comm.barrier();
starttime = MPI_Wtime();
//.........................................
//************ MAIN ITERATION LOOP ***************************************/
PROFILE_START("Loop");
while (timestep < timestepMax ) {
//if ( rank==0 ) { printf("Running timestep %i (%i MB)\n",timestep+1,(int)(Utilities::getMemoryUsage()/1048576)); }
PROFILE_START("Update");
// *************ODD TIMESTEP*************
timestep++;
//-------------------------------------------------------------------------------------------------------------------
// Perform the collision operation
ScaLBL_Comm->SendD3Q19AA(gqbar); //READ FROM NORMAL
ScaLBL_D3Q19_AAodd_FreeLeeModel_SingleFluid_BGK(NeighborList, gqbar, Velocity, Pressure, tau, rho0, Fx, Fy, Fz,
ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_Comm->RecvD3Q19AA(gqbar); //WRITE INTO OPPOSITE
ScaLBL_Comm->Barrier();
// Set boundary conditions
// TODO to be revised!
if (BoundaryCondition == 3){
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, gqbar, din, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, gqbar, dout, timestep);
}
if (BoundaryCondition == 4){
din = ScaLBL_Comm->D3Q19_Flux_BC_z(NeighborList, gqbar, flux, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, gqbar, dout, timestep);
}
else if (BoundaryCondition == 5){
ScaLBL_Comm->D3Q19_Reflection_BC_z(gqbar);
ScaLBL_Comm->D3Q19_Reflection_BC_Z(gqbar);
}
ScaLBL_D3Q19_AAodd_FreeLeeModel_SingleFluid_BGK(NeighborList, gqbar, Velocity, Pressure, tau, rho0, Fx, Fy, Fz,
0, ScaLBL_Comm->LastExterior(), Np);
ScaLBL_Comm->Barrier();
// *************EVEN TIMESTEP*************
timestep++;
//-------------------------------------------------------------------------------------------------------------------
// Perform the collision operation
ScaLBL_Comm->SendD3Q19AA(gqbar); //READ FORM NORMAL
ScaLBL_D3Q19_AAeven_FreeLeeModel_SingleFluid_BGK(gqbar, Velocity, Pressure, tau, rho0, Fx, Fy, Fz,
ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_Comm->RecvD3Q19AA(gqbar); //WRITE INTO OPPOSITE
ScaLBL_Comm->Barrier();
// Set boundary conditions
// TODO to be revised!
if (BoundaryCondition == 3){
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, gqbar, din, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, gqbar, dout, timestep);
}
else if (BoundaryCondition == 4){
din = ScaLBL_Comm->D3Q19_Flux_BC_z(NeighborList, gqbar, flux, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, gqbar, dout, timestep);
}
else if (BoundaryCondition == 5){
ScaLBL_Comm->D3Q19_Reflection_BC_z(gqbar);
ScaLBL_Comm->D3Q19_Reflection_BC_Z(gqbar);
}
ScaLBL_D3Q19_AAeven_FreeLeeModel_SingleFluid_BGK(gqbar, Velocity, Pressure, tau, rho0, Fx, Fy, Fz,
0, ScaLBL_Comm->LastExterior(), Np);
ScaLBL_Comm->Barrier();
//************************************************************************
PROFILE_STOP("Update");
}
PROFILE_STOP("Loop");
PROFILE_SAVE("lbpm_color_simulator",1);
//************************************************************************
stoptime = MPI_Wtime();
if (rank==0) printf("-------------------------------------------------------------------\n");
// Compute the walltime per timestep
cputime = (stoptime - starttime)/timestep;
// Performance obtained from each node
double MLUPS = double(Np)/cputime/1000000;
if (rank==0) printf("********************************************************\n");
if (rank==0) printf("CPU time = %f \n", cputime);
if (rank==0) printf("Lattice update rate (per core)= %f MLUPS \n", MLUPS);
MLUPS *= nprocs;
if (rank==0) printf("Lattice update rate (total)= %f MLUPS \n", MLUPS);
if (rank==0) printf("********************************************************\n");
// ************************************************************************
}
void ScaLBL_FreeLeeModel::WriteDebug_TwoFluid(){
// Copy back final phase indicator field and convert to regular layout
DoubleArray PhaseData(Nxh,Nyh,Nzh);
//ScaLBL_Comm->RegularLayout(Map,Phi,PhaseField);
@ -765,3 +1003,37 @@ void ScaLBL_FreeLeeModel::WriteDebug(){
fclose(CGZ_FILE);
*/
}
void ScaLBL_FreeLeeModel::WriteDebug_SingleFluid(){
DoubleArray PhaseField(Nx,Ny,Nz);
// Copy back final phase indicator field and convert to regular layout
ScaLBL_Comm->RegularLayout(Map,Pressure,PhaseField);
FILE *PFILE;
sprintf(LocalRankFilename,"Pressure.%05i.raw",rank);
PFILE = fopen(LocalRankFilename,"wb");
fwrite(PhaseField.data(),8,N,PFILE);
fclose(PFILE);
ScaLBL_Comm->RegularLayout(Map,&Velocity[0],PhaseField);
FILE *VELX_FILE;
sprintf(LocalRankFilename,"Velocity_X.%05i.raw",rank);
VELX_FILE = fopen(LocalRankFilename,"wb");
fwrite(PhaseField.data(),8,N,VELX_FILE);
fclose(VELX_FILE);
ScaLBL_Comm->RegularLayout(Map,&Velocity[Np],PhaseField);
FILE *VELY_FILE;
sprintf(LocalRankFilename,"Velocity_Y.%05i.raw",rank);
VELY_FILE = fopen(LocalRankFilename,"wb");
fwrite(PhaseField.data(),8,N,VELY_FILE);
fclose(VELY_FILE);
ScaLBL_Comm->RegularLayout(Map,&Velocity[2*Np],PhaseField);
FILE *VELZ_FILE;
sprintf(LocalRankFilename,"Velocity_Z.%05i.raw",rank);
VELZ_FILE = fopen(LocalRankFilename,"wb");
fwrite(PhaseField.data(),8,N,VELZ_FILE);
fclose(VELZ_FILE);
}

13
models/FreeLeeModel.h
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@ -26,15 +26,20 @@ public:
void ReadParams(std::shared_ptr<Database> db0);
void SetDomain();
void ReadInput();
void Create();
void Initialize();
void Run();
void WriteDebug();
void Create_TwoFluid();
void Initialize_TwoFluid();
void Run_TwoFluid();
void WriteDebug_TwoFluid();
void Create_SingleFluid();
void Initialize_SingleFluid();
void Run_SingleFluid();
void WriteDebug_SingleFluid();
bool Restart,pBC;
int timestep,timestepMax;
int BoundaryCondition;
double tauA,tauB,rhoA,rhoB;
double tau, rho0;//only for single-fluid Lee model
double tauM;//relaxation time for phase field (or mass)
double W,gamma,kappa,beta;
double Fx,Fy,Fz,flux;

1
tests/CMakeLists.txt
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@ -7,6 +7,7 @@ ADD_LBPM_EXECUTABLE( lbpm_greyscale_simulator )
ADD_LBPM_EXECUTABLE( lbpm_greyscaleColor_simulator )
ADD_LBPM_EXECUTABLE( lbpm_electrokinetic_SingleFluid_simulator )
ADD_LBPM_EXECUTABLE( lbpm_freelee_simulator )
ADD_LBPM_EXECUTABLE( lbpm_freelee_SingleFluidBGK_simulator )
#ADD_LBPM_EXECUTABLE( lbpm_BGK_simulator )
#ADD_LBPM_EXECUTABLE( lbpm_color_macro_simulator )
ADD_LBPM_EXECUTABLE( lbpm_dfh_simulator )

70
tests/lbpm_freelee_SingleFluidBGK_simulator.cpp Normal file
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@ -0,0 +1,70 @@
#include <exception>
#include <fstream>
#include <iostream>
#include <stdexcept>
#include <stdio.h>
#include <stdlib.h>
#include <sys/stat.h>
#include "common/Utilities.h"
#include "models/FreeLeeModel.h"
//*******************************************************************
// Implementation of Free-Energy Two-Phase LBM (Lee model)
//*******************************************************************
int main( int argc, char **argv )
{
// Initialize
Utilities::startup( argc, argv );
// Load the input database
auto db = std::make_shared<Database>( argv[1] );
{ // Limit scope so variables that contain communicators will free before MPI_Finialize
Utilities::MPI comm( MPI_COMM_WORLD );
int rank = comm.getRank();
int nprocs = comm.getSize();
if (rank == 0){
printf("********************************************************\n");
printf("Running Single-Fluid Solver based on Lee LBM \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_FreeLeeModel LeeModel( rank,nprocs,comm );
LeeModel.ReadParams( filename );
LeeModel.SetDomain();
LeeModel.ReadInput();
LeeModel.Create_SingleFluid();
LeeModel.Initialize_SingleFluid();
LeeModel.Run_SingleFluid();
LeeModel.WriteDebug_SingleFluid();
PROFILE_STOP("Main");
auto file = db->getWithDefault<std::string>( "TimerFile", "lbpm_freelee_SingleFluidBGK_simulator" );
auto level = db->getWithDefault<int>( "TimerLevel", 1 );
PROFILE_SAVE( file,level );
// ****************************************************
} // Limit scope so variables that contain communicators will free before MPI_Finialize
Utilities::shutdown();
return 0;
}

8
tests/lbpm_freelee_simulator.cpp
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@ -51,10 +51,10 @@ int main( int argc, char **argv )
LeeModel.ReadParams( filename );
LeeModel.SetDomain();
LeeModel.ReadInput();
LeeModel.Create();
LeeModel.Initialize();
LeeModel.Run();
LeeModel.WriteDebug();
LeeModel.Create_TwoFluid();
LeeModel.Initialize_TwoFluid();
LeeModel.Run_TwoFluid();
LeeModel.WriteDebug_TwoFluid();
PROFILE_STOP("Main");
auto file = db->getWithDefault<std::string>( "TimerFile", "lbpm_freelee_simulator" );