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add MES_max as alternative method to check convergence;to be verified

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This commit is contained in:
Rex Zhe Li
2021-09-13 19:24:23 +10:00
parent a75ca8a132
commit 65b0d12172
2 changed files with 42 additions and 20 deletions
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61
models/PoissonSolver.cpp
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@@ -70,7 +70,7 @@ void ScaLBL_Poisson::ReadParams(string filename){
tolerance = electric_db->getScalar<double>( "tolerance" );
}
//'tolerance_method' can be {"sum","max"}
auto tolerance_method = electric_db->getWithDefault<std::string>( "tolerance_method", "sum" );
tolerance_method = electric_db->getWithDefault<std::string>( "tolerance_method", "sum" );
if (electric_db->keyExists( "epsilonR" )){
epsilonR = electric_db->getScalar<double>( "epsilonR" );
}
@@ -566,25 +566,46 @@ void ScaLBL_Poisson::Run(double *ChargeDensity, int timestep_from_Study){
ScaLBL_CopyToHost(Psi_previous.data(),Psi,sizeof(double)*Nx*Ny*Nz);
}
if (timestep%analysis_interval==0){
double count_loc=0;
double count;
double MSE_loc=0.0;
//double MSE;
ScaLBL_CopyToHost(Psi_host.data(),Psi,sizeof(double)*Nx*Ny*Nz);
for (int k=1; k<Nz-1; k++){
for (int j=1; j<Ny-1; j++){
for (int i=1; i<Nx-1; i++){
if (Distance(i,j,k) > 0){
MSE_loc += (Psi_host(i,j,k) - Psi_previous(i,j,k))*(Psi_host(i,j,k) - Psi_previous(i,j,k));
count_loc+=1.0;
}
}
}
}
error=Dm->Comm.sumReduce(MSE_loc);
count=Dm->Comm.sumReduce(count_loc);
error /= count;
if (tolerance_method.compare("sum")==0){
double count_loc=0;
double count;
double MSE_loc=0.0;
ScaLBL_CopyToHost(Psi_host.data(),Psi,sizeof(double)*Nx*Ny*Nz);
for (int k=1; k<Nz-1; k++){
for (int j=1; j<Ny-1; j++){
for (int i=1; i<Nx-1; i++){
if (Distance(i,j,k) > 0){
MSE_loc += (Psi_host(i,j,k) - Psi_previous(i,j,k))*(Psi_host(i,j,k) - Psi_previous(i,j,k));
count_loc+=1.0;
}
}
}
}
error=Dm->Comm.sumReduce(MSE_loc);
count=Dm->Comm.sumReduce(count_loc);
error /= count;
}
else if (tolerance_method.compare("max")==0){
vector<double>MSE_loc;
double MSE_loc_max;
ScaLBL_CopyToHost(Psi_host.data(),Psi,sizeof(double)*Nx*Ny*Nz);
for (int k=1; k<Nz-1; k++){
for (int j=1; j<Ny-1; j++){
for (int i=1; i<Nx-1; i++){
if (Distance(i,j,k) > 0){
MSE_loc.push_back((Psi_host(i,j,k) - Psi_previous(i,j,k))*(Psi_host(i,j,k) - Psi_previous(i,j,k)));
}
}
}
}
vector<double>::iterator it_max = max_element(MSE_loc.begin(),MSE.end());
unsigned int idx_max=distance(MSE_loc.begin();it_max);
MSE_loc_max=MSE_loc[idx_max];
error=Dm->Comm.maxReduce(MSE_loc_max);
}
else{
ERROR("Error: user-specified tolerance_method cannot be identified; check you input database! \n");
}
ScaLBL_CopyToHost(Psi_previous.data(),Psi,sizeof(double)*Nx*Ny*Nz);