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import ScaLBL updates

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This commit is contained in:
James McClure 2023-10-22 11:05:05 -04:00
parent 588d1a15c1
commit 83f543e7a6
5 changed files with 826 additions and 669 deletions
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791
models/IonModel.cpp
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File diff suppressed because it is too large Load Diff

10
models/IonModel.h
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@ -50,10 +50,14 @@ public:
void DummyFluidVelocity();
void DummyElectricField();
void Checkpoint();
void TestGrotthus();
double CalIonDenConvergence(vector<double> &ci_avg_previous);
bool Restart;
int timestep;
int timestepGlobal;
vector<int> timestepMax;
int BoundaryConditionSolid;
double h; //domain resolution, unit [um/lu]
@ -62,6 +66,10 @@ public:
double tolerance;
double fluidVelx_dummy, fluidVely_dummy, fluidVelz_dummy;
double Ex_dummy, Ey_dummy, Ez_dummy;
bool use_Grotthus;
size_t pH_ion;
double IonizationEnergy;
size_t number_ion_species;
vector<int> BoundaryConditionInlet;
@ -79,6 +87,8 @@ public:
vector<double> Cout; //outlet boundary value, can be either concentration [mol/m^3] or flux [mol/m^2/sec]
vector<double> tau;
vector<double> time_conv;
vector<double> BC_frequency;
vector<double> BC_amplitude;
int Nx, Ny, Nz, N, Np;
int rank, nprocx, nprocy, nprocz, nprocs;

686
models/PoissonSolver.cpp
View File

@ -1,5 +1,5 @@
/*
* Multi-relaxation time LBM Model
* Gauss's Law solver
*/
#include "models/PoissonSolver.h"
#include "analysis/distance.h"
@ -36,10 +36,11 @@ ScaLBL_Poisson::~ScaLBL_Poisson()
ScaLBL_FreeDeviceMemory(dvcMap);
ScaLBL_FreeDeviceMemory(Psi);
ScaLBL_FreeDeviceMemory(Psi_BCLabel);
ScaLBL_FreeDeviceMemory(Permittivity);
ScaLBL_FreeDeviceMemory(ElectricField);
ScaLBL_FreeDeviceMemory(ResidualError);
ScaLBL_FreeDeviceMemory(fq);
if ( TIMELOG )
fclose( TIMELOG );
}
@ -66,7 +67,7 @@ void ScaLBL_Poisson::ReadParams(string filename){
TestPeriodicTime = 1.0;//unit: [sec]
TestPeriodicTimeConv = 0.01; //unit [sec/lt]
TestPeriodicSaveInterval = 0.1; //unit [sec]
Restart = "false";
Restart = false;
// LB-Poisson Model parameters
if (electric_db->keyExists( "Restart" )){
@ -141,7 +142,7 @@ void ScaLBL_Poisson::ReadParams(string filename){
/* restart string */
sprintf(LocalRankString, "%05d", rank);
sprintf(LocalRestartFile, "%s%s", "Psi.", LocalRankString);
sprintf(LocalRestartFile, "%s%s", "PoissonSolver.", LocalRankString);
if (rank==0) printf("***********************************************************************************\n");
if (rank==0) printf("LB-Poisson Solver: steady-state MaxTimeStep = %i; steady-state tolerance = %.3g \n", timestepMax,tolerance);
@ -211,7 +212,7 @@ void ScaLBL_Poisson::ReadInput(){
sprintf(LocalRankString,"%05d",Dm->rank());
sprintf(LocalRankFilename,"%s%s","ID.",LocalRankString);
sprintf(LocalRestartFile,"%s%s","Psi.",LocalRankString);
sprintf(LocalRestartFile,"%s%s","PoissonSolver.",LocalRankString);
if (domain_db->keyExists( "Filename" )){
@ -277,6 +278,44 @@ void ScaLBL_Poisson::AssignSolidBoundary(double *poisson_solid, int *poisson_sol
if (NLABELS != AffinityList.size() || NLABELS != BoundaryConditionSolidList.size()){
ERROR("Error: LB-Poisson Solver: BC_SolidList, SolidLabels and SolidValues all must be of the same length! \n");
}
if (electric_db->keyExists( "PermittivityValues" ))
{
/* assign the permittivity based on the material*/
double *Permittivity_host;
Permittivity_host = new double[Nx*Ny*Nz];
double PERMITTIVITY = epsilon_LB;
auto LabelList = electric_db->getVector<int>( "SolidLabels" );
auto PermittivityList = electric_db->getVector<double>( "PermittivityValues" );
size_t NLABELS = LabelList.size();
if (NLABELS != PermittivityList.size()){
ERROR("Error: LB-Poisson Solver: SolidLabels and PermittivityList all must be of the same length! \n");
}
for (int k=0;k<Nz;k++){
for (int j=0;j<Ny;j++){
for (int i=0;i<Nx;i++){
int n = k*Nx*Ny+j*Nx+i;
VALUE=Mask->id[n];
PERMITTIVITY=epsilon_LB;
// Assign the affinity from the paired list
for (unsigned int idx=0; idx < NLABELS; idx++){
if (VALUE == LabelList[idx]){
PERMITTIVITY=PermittivityList[idx];
//label_count[idx] += 1.0;
idx = NLABELS;
}
}
int idx=Map(i,j,k);
if (!(idx<0)) Permittivity_host[n] = PERMITTIVITY;
}
}
}
ScaLBL_CopyToDevice(Permittivity, Permittivity_host, sizeof(double)*Nx*Ny*Nz);
delete [] Permittivity_host;
}
std::vector<double> label_count( NLABELS, 0.0 );
std::vector<double> label_count_global( NLABELS, 0.0 );
@ -368,13 +407,14 @@ void ScaLBL_Poisson::Create(){
// LBM variables
if (rank==0) printf ("LB-Poisson Solver: Allocating distributions \n");
//......................device distributions.................................
int dist_mem_size = Np*sizeof(double);
int neighborSize=18*(Np*sizeof(int));
size_t dist_mem_size = Np*sizeof(double);
size_t neighborSize=18*(Np*sizeof(int));
//...........................................................................
ScaLBL_AllocateDeviceMemory((void **) &NeighborList, neighborSize);
ScaLBL_AllocateDeviceMemory((void **) &dvcMap, sizeof(int)*Np);
//ScaLBL_AllocateDeviceMemory((void **) &dvcID, sizeof(signed char)*Nx*Ny*Nz);
ScaLBL_AllocateDeviceMemory((void **) &Psi, sizeof(double)*Nx*Ny*Nz);
ScaLBL_AllocateDeviceMemory((void **) &Permittivity, sizeof(double)*Nx*Ny*Nz);
ScaLBL_AllocateDeviceMemory((void **) &Psi_BCLabel, sizeof(int)*Nx*Ny*Nz);
ScaLBL_AllocateDeviceMemory((void **) &ElectricField, 3*sizeof(double)*Np);
ScaLBL_AllocateDeviceMemory((void **) &ResidualError, sizeof(double)*Np);
@ -443,8 +483,12 @@ void ScaLBL_Poisson::Potential_Init(double *psi_init){
Vin0 = Vout0 = 1.0; //unit: [V]
freqIn = freqOut = 50.0; //unit: [Hz]
PhaseShift_In = PhaseShift_Out = 0.0; //unit: [radian]
Vin = 1.0; //Boundary-z (inlet) electric potential
Vout = 1.0; //Boundary-Z (outlet) electric potential
Vin = 0.0; //Boundary-z (inlet) electric potential
Vout = 0.0; //Boundary-Z (outlet) electric potential
/* Assign permittivity value to the solid */
signed char VALUE=0;
double AFFINITY=0.f;
if (BoundaryConditionInlet==0 && BoundaryConditionOutlet==0){
@ -453,6 +497,7 @@ void ScaLBL_Poisson::Potential_Init(double *psi_init){
auto LabelList = electric_db->getVector<int>( "InitialValueLabels" );
auto AffinityList = electric_db->getVector<double>( "InitialValues" );
auto PermittivityList = electric_db->getVector<double>( "PermittivityValues" );
size_t NLABELS = LabelList.size();
if (NLABELS != AffinityList.size()){
@ -549,26 +594,36 @@ void ScaLBL_Poisson::Potential_Init(double *psi_init){
if (BoundaryConditionOutlet==2) Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,0);
//initialize a linear electrical potential between inlet and outlet
double slope = (Vout-Vin)/(Nz-2);
double psi_linearized;
double slope = (Vout-Vin)/((Nz-2)*Dm->nprocz());
double psi_linearized = Vin;
for (int k=0;k<Nz;k++){
if (k==0 || k==1){
psi_linearized = Vin;
}
else if (k==Nz-1 || k==Nz-2){
psi_linearized = Vout;
}
else{
psi_linearized = slope*(k-1)+Vin;
}
for (int j=0;j<Ny;j++){
for (int i=0;i<Nx;i++){
int n = k*Nx*Ny+j*Nx+i;
if (Mask->id[n]>0){
psi_init[n] = psi_linearized;
}
}
}
if (Dm->kproc() == 0){
if (k==0 || k==1){
psi_linearized = Vin;
}
else{
psi_linearized = slope*(Dm->kproc()*(Nz-2) + (k-1)) + Vin;
}
}
if (Dm->kproc() == Dm->nprocz()-1){
if (k==Nz-1 || k==Nz-2){
psi_linearized = Vout;
}
else{
psi_linearized = slope*(Dm->kproc()*(Nz-2) + (k-1)) + Vin;
}
}
else{
psi_linearized = slope*(Dm->kproc()*(Nz-2) + (k-1)) + Vin;
}
for (int j=0;j<Ny;j++){
for (int i=0;i<Nx;i++){
int n = k*Nx*Ny+j*Nx+i;
if (Mask->id[n]>0){
psi_init[n] = psi_linearized;
}
}
}
}
}
else{//mixed periodic and non-periodic BCs are not supported!
@ -643,79 +698,6 @@ void ScaLBL_Poisson::Initialize(double time_conv_from_Study){
//}
}
//void ScaLBL_Poisson::Run(double *ChargeDensity, bool UseSlippingVelBC, int timestep_from_Study){
//
// //.......create and start timer............
// //double starttime,stoptime,cputime;
// //comm.barrier();
// //auto t1 = std::chrono::system_clock::now();
// double *host_Error;
// host_Error = new double [Np];
//
// timestep=0;
// double error = 1.0;
// while (timestep < timestepMax && error > tolerance) {
// //************************************************************************/
// // *************ODD TIMESTEP*************//
// timestep++;
// //SolveElectricPotentialAAodd(timestep_from_Study,ChargeDensity, UseSlippingVelBC);//update electric potential
// SolvePoissonAAodd(ChargeDensity, UseSlippingVelBC);//perform collision
// ScaLBL_Comm->Barrier(); comm.barrier();
//
// // *************EVEN TIMESTEP*************//
// timestep++;
// //SolveElectricPotentialAAeven(timestep_from_Study,ChargeDensity, UseSlippingVelBC);//update electric potential
// SolvePoissonAAeven(ChargeDensity, UseSlippingVelBC);//perform collision
// ScaLBL_Comm->Barrier(); comm.barrier();
// //************************************************************************/
//
//
// // Check convergence of steady-state solution
// if (timestep==2){
// //save electric potential for convergence check
// }
// if (timestep%analysis_interval==0){
// /* get the elecric potential */
// ScaLBL_CopyToHost(Psi_host.data(),Psi,sizeof(double)*Nx*Ny*Nz);
// if (rank==0) printf(" ... getting Poisson solver error \n");
// double err = 0.0;
// double max_error = 0.0;
// ScaLBL_CopyToHost(host_Error,ResidualError,sizeof(double)*Np);
// for (int idx=0; idx<Np; idx++){
// err = host_Error[idx]*host_Error[idx];
// if (err > max_error ){
// max_error = err;
// }
// }
// error=Dm->Comm.maxReduce(max_error);
//
// /* compute the eletric field */
// //ScaLBL_D3Q19_Poisson_getElectricField(fq, ElectricField, tau, Np);
//
// }
// }
// if(WriteLog==true){
// getConvergenceLog(timestep,error);
// }
//
// //************************************************************************/
// ////if (rank==0) printf("LB-Poission Solver: a steady-state solution is obtained\n");
// ////if (rank==0) printf("---------------------------------------------------------------------------\n");
// //// Compute the walltime per timestep
// //auto t2 = std::chrono::system_clock::now();
// //double cputime = std::chrono::duration<double>( t2 - t1 ).count() / timestep;
// //// Performance obtained from each node
// //double MLUPS = double(Np)/cputime/1000000;
//
// //if (rank==0) printf("******************* LB-Poisson Solver Statistics ********************\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_Poisson::Run(double *ChargeDensity, bool UseSlippingVelBC, int timestep_from_Study){
double error = 1.0;
@ -794,44 +776,120 @@ void ScaLBL_Poisson::Run(double *ChargeDensity, bool UseSlippingVelBC, int times
timestep=0;
auto t1 = std::chrono::system_clock::now();
while (timestep < timestepMax && error > tolerance) {
//************************************************************************/
// *************ODD TIMESTEP*************//
timestep++;
//SolveElectricPotentialAAodd(timestep_from_Study);//,ChargeDensity, UseSlippingVelBC);//update electric potential
SolvePoissonAAodd(ChargeDensity, UseSlippingVelBC,timestep);//perform collision
ScaLBL_Comm->Barrier(); comm.barrier();
// Universal constant
double kb = 1.38e-23; //Boltzmann constant;unit [J/K]
double electron_charge = 1.6e-19; //electron charge;unit [C]
double T = 300.0; //temperature; unit [K]
double Vt = kb * T / electron_charge; //thermal voltage; unit [Vy]
double Cp = 1.014e-7; // proton concentration
// *************EVEN TIMESTEP*************//
timestep++;
//SolveElectricPotentialAAeven(timestep_from_Study);//,ChargeDensity, UseSlippingVelBC);//update electric potential
SolvePoissonAAeven(ChargeDensity, UseSlippingVelBC,timestep);//perform collision
ScaLBL_Comm->Barrier(); comm.barrier();
//************************************************************************/
timestep=0;
auto t1 = std::chrono::system_clock::now();
while (timestep < timestepMax && error > tolerance) {
//************************************************************************/
// *************ODD TIMESTEP*************//
// Set boundary conditions
timestep++;
// Check convergence of steady-state solution
if (timestep==2){
//save electric potential for convergence check
}
if (timestep%analysis_interval==0){
/* get the elecric potential */
ScaLBL_CopyToHost(Psi_host.data(),Psi,sizeof(double)*Nx*Ny*Nz);
if (rank==0) printf(" ... getting Poisson solver error \n");
double err = 0.0;
double max_error = 0.0;
ScaLBL_CopyToHost(host_Error,ResidualError,sizeof(double)*Np);
for (int idx=0; idx<Np; idx++){
err = host_Error[idx]*host_Error[idx];
if (err > max_error ){
max_error = err;
}
}
error=Dm->Comm.maxReduce(max_error);
//SolvePoissonAAodd(ChargeDensity, UseSlippingVelBC, timestep);//perform collision
ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL
ScaLBL_D3Q19_AAodd_Poisson(NeighborList, dvcMap, fq, ChargeDensity, Psi, ElectricField,
tau, Vt, Cp, epsilon_LB, UseSlippingVelBC,
ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
/* compute the eletric field */
//ScaLBL_D3Q19_Poisson_getElectricField(fq, ElectricField, tau, Np);
if (BoundaryConditionInlet > 0 && Dm->kproc()==0){
switch (BoundaryConditionInlet){
case 1:
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
break;
case 2:
Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep_from_Study);
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
break;
}
}
if (BoundaryConditionOutlet > 0 && Dm->kproc() == nprocz-1){
switch (BoundaryConditionOutlet){
case 1:
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
break;
case 2:
Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep_from_Study);
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
break;
}
}
}
ScaLBL_D3Q19_AAodd_Poisson(NeighborList, dvcMap, fq, ChargeDensity, Psi, ElectricField,
tau, Vt, Cp, epsilon_LB, UseSlippingVelBC,
0, ScaLBL_Comm->LastExterior(), Np);
// *************EVEN TIMESTEP*************//
timestep++;
//SolvePoissonAAeven(ChargeDensity, UseSlippingVelBC, timestep);//perform collision
//ScaLBL_Comm->Barrier(); comm.barrier();
ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL
ScaLBL_D3Q19_AAeven_Poisson(dvcMap, fq, ChargeDensity, Psi, ElectricField, ResidualError,
tau, Vt, Cp, epsilon_LB, UseSlippingVelBC,
ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
// Set boundary conditions
if (BoundaryConditionInlet > 0 && Dm->kproc()==0){
switch (BoundaryConditionInlet){
case 1:
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
break;
case 2:
Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep_from_Study);
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
break;
}
}
if (BoundaryConditionOutlet > 0 && Dm->kproc() == nprocz-1){
switch (BoundaryConditionOutlet){
case 1:
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
break;
case 2:
Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep_from_Study);
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
break;
}
}
ScaLBL_D3Q19_AAeven_Poisson(dvcMap, fq, ChargeDensity, Psi, ElectricField, ResidualError,
tau, Vt, Cp, epsilon_LB, UseSlippingVelBC,
0, ScaLBL_Comm->LastExterior(), Np);
ScaLBL_Comm->Barrier(); comm.barrier();
//************************************************************************/
}
// Check convergence of steady-state solution
if (timestep==2){
//save electric potential for convergence check
}
if (timestep%analysis_interval==0){
/* get the elecric potential */
ScaLBL_CopyToHost(Psi_host.data(),Psi,sizeof(double)*Nx*Ny*Nz);
if (rank==0) printf(" ... getting Poisson solver error \n");
double err = 0.0;
double max_error = 0.0;
ScaLBL_CopyToHost(host_Error,ResidualError,sizeof(double)*Np);
for (int idx=0; idx<Np; idx++){
err = host_Error[idx]*host_Error[idx];
if (err > max_error ){
max_error = err;
}
}
error=Dm->Comm.maxReduce(max_error);
if (rank==0) printf(" error = %0.5g \n",error);
}
}
// SetMeanZeroVoltage();
if (rank == 0)
printf("---------------------------------------------------------------"
"----\n");
@ -840,7 +898,10 @@ void ScaLBL_Poisson::Run(double *ChargeDensity, bool UseSlippingVelBC, int times
double cputime = std::chrono::duration<double>(t2 - t1).count() / timestep;
// Performance obtained from each node
double MLUPS = double(Np) / cputime / 1000000;
if(WriteLog==true){
getConvergenceLog(timestep,error);
}
if (rank == 0)
printf("********************************************************\n");
if (rank == 0)
@ -876,6 +937,13 @@ void ScaLBL_Poisson::Run(double *ChargeDensity, DoubleArray MembraneDistance, bo
double *host_Error;
host_Error = new double [Np];
// Universal constant
double kb = 1.38e-23; //Boltzmann constant;unit [J/K]
double electron_charge = 1.6e-19; //electron charge;unit [C]
double T = 300.0; //temperature; unit [K]
double Vt = kb * T / electron_charge; //thermal voltage; unit [Vy]
double Cp = 1.014e-7; // proton concentration
timestep=0;
auto t1 = std::chrono::system_clock::now();
@ -883,14 +951,80 @@ void ScaLBL_Poisson::Run(double *ChargeDensity, DoubleArray MembraneDistance, bo
//************************************************************************/
// *************ODD TIMESTEP*************//
timestep++;
//SolveElectricPotentialAAodd(timestep_from_Study,ChargeDensity, UseSlippingVelBC);//update electric potential
SolvePoissonAAodd(ChargeDensity, UseSlippingVelBC,timestep);//perform collision
ScaLBL_Comm->Barrier(); comm.barrier();
//SolvePoissonAAodd(ChargeDensity, UseSlippingVelBC, timestep);//perform collision
ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL
ScaLBL_D3Q19_AAodd_Poisson(NeighborList, dvcMap, fq, ChargeDensity, Psi, ElectricField,
tau, Vt, Cp, epsilon_LB, UseSlippingVelBC,
ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
// Set boundary conditions
if (BoundaryConditionInlet > 0 && Dm->kproc()==0){
switch (BoundaryConditionInlet){
case 1:
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
break;
case 2:
Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep_from_Study);
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
break;
}
}
if (BoundaryConditionOutlet > 0 && Dm->kproc() == nprocz-1){
switch (BoundaryConditionOutlet){
case 1:
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
break;
case 2:
Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep_from_Study);
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
break;
}
}
ScaLBL_D3Q19_AAodd_Poisson(NeighborList, dvcMap, fq, ChargeDensity, Psi, ElectricField,
tau, Vt, Cp, epsilon_LB, UseSlippingVelBC,
0, ScaLBL_Comm->LastExterior(), Np);
// *************EVEN TIMESTEP*************//
timestep++;
//SolveElectricPotentialAAeven(timestep_from_Study,ChargeDensity, UseSlippingVelBC);//update electric potential
SolvePoissonAAeven(ChargeDensity, UseSlippingVelBC,timestep);//perform collision
//SolvePoissonAAeven(ChargeDensity, UseSlippingVelBC, timestep);//perform collision
//ScaLBL_Comm->Barrier(); comm.barrier();
ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL
ScaLBL_D3Q19_AAeven_Poisson(dvcMap, fq, ChargeDensity, Psi, ElectricField, ResidualError,
tau, Vt, Cp, epsilon_LB, UseSlippingVelBC,
ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
// Set boundary conditions
if (BoundaryConditionInlet > 0 && Dm->kproc()==0){
switch (BoundaryConditionInlet){
case 1:
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
break;
case 2:
Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep_from_Study);
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
break;
}
}
if (BoundaryConditionOutlet > 0 && Dm->kproc() == nprocz-1){
switch (BoundaryConditionOutlet){
case 1:
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
break;
case 2:
Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep_from_Study);
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
break;
}
}
ScaLBL_D3Q19_AAeven_Poisson(dvcMap, fq, ChargeDensity, Psi, ElectricField, ResidualError,
tau, Vt, Cp, epsilon_LB, UseSlippingVelBC,
0, ScaLBL_Comm->LastExterior(), Np);
ScaLBL_Comm->Barrier(); comm.barrier();
//************************************************************************/
@ -972,6 +1106,8 @@ void ScaLBL_Poisson::Run(double *ChargeDensity, DoubleArray MembraneDistance, bo
//ScaLBL_D3Q19_Poisson_getElectricField(fq, ElectricField, tau, Np);
}
}
// SetMeanZeroVoltage();
if (rank == 0)
printf("---------------------------------------------------------------"
"----\n");
@ -1000,6 +1136,43 @@ void ScaLBL_Poisson::Run(double *ChargeDensity, DoubleArray MembraneDistance, bo
}
}
void ScaLBL_Poisson::SetMeanZeroVoltage(){
/* get the elecric potential */
ScaLBL_CopyToHost(Psi_host.data(),Psi,sizeof(double)*Nx*Ny*Nz);
double local_mean_voltage = 0.0;
double global_mean_voltage = 0.0;
double local_count = 0.0;
double global_count = 0.0;
for (int k=1; k<Nz-1; k++){
for (int j=1; j<Ny-1; j++){
for (int i=1; i<Nx-1; i++){
int n = k*Nx*Ny + j*Nx + i;
local_mean_voltage += Psi_host(n);
local_count += 1.0;
}
}
}
global_mean_voltage = Dm->Comm.sumReduce(local_mean_voltage);
global_count = Dm->Comm.sumReduce(local_count);
global_mean_voltage /= global_count;
// rescale the far-field electric potential
for (int k=0; k<Nz; k++){
for (int j=0; j<Ny; j++){
for (int i=0; i<Nx; i++){
int n = k*Nx*Ny + j*Nx + i;
double value = Psi_host(n);
value -= global_mean_voltage;
Psi_host(n) = value;
}
}
}
ScaLBL_CopyToDevice(Psi,Psi_host.data(),sizeof(double)*Nx*Ny*Nz);
if (rank == 0)
printf("Rescale voltage (average was %.5g) \n", global_mean_voltage);
}
void ScaLBL_Poisson::getConvergenceLog(int timestep,double error){
if ( rank == 0 ) {
fprintf(TIMELOG,"%i %.5g\n",timestep,error);
@ -1120,22 +1293,22 @@ void ScaLBL_Poisson::SolveElectricPotentialAAeven(int timestep_from_Study){
if (BoundaryConditionInlet > 0){
switch (BoundaryConditionInlet){
case 1:
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, Vin, timestep);
break;
case 2:
Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep_from_Study);
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, Vin, timestep);
break;
}
}
if (BoundaryConditionOutlet > 0){
switch (BoundaryConditionOutlet){
case 1:
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, Vin, timestep);
break;
case 2:
Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep_from_Study);
ScaLBL_Comm->D3Q19_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, Vin, timestep);
break;
}
}
@ -1147,6 +1320,14 @@ void ScaLBL_Poisson::SolveElectricPotentialAAeven(int timestep_from_Study){
void ScaLBL_Poisson::SolvePoissonAAodd(double *ChargeDensity, bool UseSlippingVelBC, int timestep){
// Universal constant
double kb = 1.38e-23; //Boltzmann constant;unit [J/K]
double electron_charge = 1.6e-19; //electron charge;unit [C]
double T = 300.0; //temperature; unit [K]
double Vt = kb * T / electron_charge; //thermal voltage; unit [Vy]
double Cp = 1.014e-7; // proton concentration
if (lattice_scheme.compare("D3Q7")==0){
ScaLBL_D3Q7_AAodd_Poisson(NeighborList, dvcMap, fq, ChargeDensity, Psi, ElectricField, tau, epsilon_LB, UseSlippingVelBC, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_D3Q7_AAodd_Poisson(NeighborList, dvcMap, fq, ChargeDensity, Psi, ElectricField, tau, epsilon_LB, UseSlippingVelBC, 0, ScaLBL_Comm->LastExterior(), Np);
@ -1163,35 +1344,35 @@ void ScaLBL_Poisson::SolvePoissonAAodd(double *ChargeDensity, bool UseSlippingVe
}
else if (lattice_scheme.compare("D3Q19")==0){
ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL
ScaLBL_D3Q19_AAodd_Poisson(NeighborList, dvcMap, fq, ChargeDensity, Psi, ElectricField, tau, epsilon_LB, UseSlippingVelBC, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
//ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
ScaLBL_D3Q19_AAodd_Poisson(NeighborList, dvcMap, fq, ChargeDensity, Psi, ElectricField, tau, Vt, Cp, epsilon_LB, UseSlippingVelBC,
ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
// Set boundary conditions
if (BoundaryConditionInlet > 0){
if (BoundaryConditionInlet > 0 && Dm->kproc()==0){
switch (BoundaryConditionInlet){
case 1:
ScaLBL_Comm->D3Q7_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, Vin, timestep);
break;
case 2:
Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep);
ScaLBL_Comm->D3Q7_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, Vin, timestep);
break;
}
}
if (BoundaryConditionOutlet > 0){
if (BoundaryConditionOutlet > 0 && Dm->kproc() == nprocz-1){
switch (BoundaryConditionOutlet){
case 1:
ScaLBL_Comm->D3Q7_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, Vout, timestep);
break;
case 2:
Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep);
ScaLBL_Comm->D3Q7_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, Vout, timestep);
break;
}
}
ScaLBL_D3Q19_AAodd_Poisson(NeighborList, dvcMap, fq, ChargeDensity, Psi, ElectricField, tau, epsilon_LB, UseSlippingVelBC, 0, ScaLBL_Comm->LastExterior(), Np);
ScaLBL_D3Q19_AAodd_Poisson(NeighborList, dvcMap, fq, ChargeDensity, Psi, ElectricField, tau, Vt, Cp, epsilon_LB, UseSlippingVelBC, 0, ScaLBL_Comm->LastExterior(), Np);
ScaLBL_Comm->Barrier();
//TODO: perhaps add another ScaLBL_Comm routine to update Psi values on solid boundary nodes.
//something like:
@ -1200,6 +1381,13 @@ void ScaLBL_Poisson::SolvePoissonAAodd(double *ChargeDensity, bool UseSlippingVe
}
void ScaLBL_Poisson::SolvePoissonAAeven(double *ChargeDensity, bool UseSlippingVelBC, int timestep){
// Universal constant
double kb = 1.38e-23; //Boltzmann constant;unit [J/K]
double electron_charge = 1.6e-19; //electron charge;unit [C]
double T = 300.0; //temperature; unit [K]
double Vt = kb * T / electron_charge; //thermal voltage; unit [Vy]
double Cp = 1.014e-7; // proton concentration
if (lattice_scheme.compare("D3Q7")==0){
ScaLBL_D3Q7_AAeven_Poisson(dvcMap, fq, ChargeDensity, Psi, ElectricField, tau, epsilon_LB, UseSlippingVelBC, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
@ -1214,35 +1402,34 @@ void ScaLBL_Poisson::SolvePoissonAAeven(double *ChargeDensity, bool UseSlippingV
}
else if (lattice_scheme.compare("D3Q19")==0){
ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL
ScaLBL_D3Q19_AAeven_Poisson(dvcMap, fq, ChargeDensity, Psi, ElectricField, ResidualError, tau, epsilon_LB, UseSlippingVelBC, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_D3Q19_AAeven_Poisson(dvcMap, fq, ChargeDensity, Psi, ElectricField, ResidualError, tau, Vt, Cp, epsilon_LB, UseSlippingVelBC, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
// ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
// Set boundary conditions
if (BoundaryConditionInlet > 0){
if (BoundaryConditionInlet > 0 && Dm->kproc()==0){
switch (BoundaryConditionInlet){
case 1:
ScaLBL_Comm->D3Q7_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, Vin, timestep);
break;
case 2:
Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep);
ScaLBL_Comm->D3Q7_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, Vin, timestep);
break;
}
}
if (BoundaryConditionOutlet > 0){
if (BoundaryConditionOutlet > 0 && Dm->kproc() == nprocz-1){
switch (BoundaryConditionOutlet){
case 1:
ScaLBL_Comm->D3Q7_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, Vout, timestep);
break;
case 2:
Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep);
ScaLBL_Comm->D3Q7_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, Vout, timestep);
break;
}
}
ScaLBL_D3Q19_AAeven_Poisson(dvcMap, fq, ChargeDensity, Psi, ElectricField, ResidualError, tau, epsilon_LB, UseSlippingVelBC, 0, ScaLBL_Comm->LastExterior(), Np);
ScaLBL_D3Q19_AAeven_Poisson(dvcMap, fq, ChargeDensity, Psi, ElectricField, ResidualError, tau, Vt, Cp, epsilon_LB, UseSlippingVelBC, 0, ScaLBL_Comm->LastExterior(), Np);
ScaLBL_Comm->Barrier();
//ScaLBL_Comm->SolidDirichletAndNeumannD3Q7(fq, Psi, Psi_BCLabel);
@ -1279,7 +1466,8 @@ void ScaLBL_Poisson::DummyChargeDensity(){
for (int i=0; i<Nx; i++){
int idx=Map(i,j,k);
if (!(idx < 0))
ChargeDensity_host[idx] = chargeDen_dummy*(h*h*h*1.0e-18);
//ChargeDensity_host[idx] = chargeDen_dummy*(h*h*h*1.0e-18);
ChargeDensity_host[idx] = cos(2.0*M_PI*double(k-1)/double(Nz-2))*(h*h*h*1.0e-18);
}
}
}
@ -1302,6 +1490,11 @@ void ScaLBL_Poisson::getElectricPotential_debug(int timestep){
fclose(OUTFILE);
}
void ScaLBL_Poisson::getSolverError(DoubleArray &ReturnValues){
//This function wirte out the data in a normal layout (by aggregating all decomposed domains)
ScaLBL_Comm->RegularLayout(Map,ResidualError,ReturnValues);
}
void ScaLBL_Poisson::getElectricPotential(DoubleArray &ReturnValues){
//This function wirte out the data in a normal layout (by aggregating all decomposed domains)
//ScaLBL_Comm->RegularLayout(Map,Psi,PhaseField);
@ -1373,12 +1566,15 @@ void ScaLBL_Poisson::WriteVis( int timestep) {
auto vis_db = db->getDatabase("Visualization");
auto format = vis_db->getWithDefault<string>( "format", "hdf5" );
DoubleArray ElectricalPotential(Nx, Ny, Nz);
std::vector<IO::MeshDataStruct> visData;
fillHalo<double> fillData(Dm->Comm, Dm->rank_info,
{Dm->Nx - 2, Dm->Ny - 2, Dm->Nz - 2}, {1, 1, 1},
0, 1);
DoubleArray ElectricalPotential(Nx, Ny, Nz);
DoubleArray SolverError(Nx, Ny, Nz);
IO::initialize("",format,"false");
// Create the MeshDataStruct
visData.resize(1);
@ -1389,9 +1585,23 @@ void ScaLBL_Poisson::WriteVis( int timestep) {
Dm->Nz - 2, Dm->Lx, Dm->Ly, Dm->Lz);
//electric potential
auto ElectricPotentialVar = std::make_shared<IO::Variable>();
auto SolverErrorVar = std::make_shared<IO::Variable>();
//--------------------------------------------------------------------------------------------------------------------
DoubleArray Analytical(Nx, Ny, Nz);
for (int k=0; k<Nz; k++){
for (int j=0; j<Ny; j++){
for (int i=0; i<Nx; i++){
int idx=Map(i,j,k);
if (!(idx < 0))
//ChargeDensity_host[idx] = chargeDen_dummy*(h*h*h*1.0e-18);
Analytical(i,j,k) = (2.0*M_PI/double(Nz-2))*(2.0*M_PI/double(Nz-2))*cos(2.0*M_PI*double(k-1)/double(Nz-2))*(h*h*h*1.0e-18)/epsilon_LB;
}
}
}
//-------------------------------------Create Names for Variables------------------------------------------------------
if (vis_db->getWithDefault<bool>("save_electric_potential", true)) {
ElectricPotentialVar->name = "ElectricPotential";
@ -1400,6 +1610,14 @@ void ScaLBL_Poisson::WriteVis( int timestep) {
ElectricPotentialVar->data.resize(Dm->Nx - 2, Dm->Ny - 2, Dm->Nz - 2);
visData[0].vars.push_back(ElectricPotentialVar);
}
if (vis_db->getWithDefault<bool>("save_error", true)) {
SolverErrorVar->name = "SolverError";
SolverErrorVar->type = IO::VariableType::VolumeVariable;
SolverErrorVar->dim = 1;
SolverErrorVar->data.resize(Dm->Nx - 2, Dm->Ny - 2, Dm->Nz - 2);
visData[0].vars.push_back(SolverErrorVar);
}
//--------------------------------------------------------------------------------------------------------------------
//------------------------------------Save All Variables--------------------------------------------------------------
@ -1410,140 +1628,16 @@ void ScaLBL_Poisson::WriteVis( int timestep) {
fillData.copy(ElectricalPotential, ElectricPotentialData);
}
//------------------------------------Save All Variables--------------------------------------------------------------
if (vis_db->getWithDefault<bool>("save_error", true)) {
ASSERT(visData[0].vars[1]->name == "SolverError");
getSolverError(SolverError);
Array<double> &SolverErrorData = visData[0].vars[1]->data;
fillData.copy(SolverError, SolverErrorData);
}
if (vis_db->getWithDefault<bool>("write_silo", true))
IO::writeData(timestep, visData, Dm->Comm);
//--------------------------------------------------------------------------------------------------------------------
}
//void ScaLBL_Poisson::SolveElectricField(){
// ScaLBL_Comm_Regular->SendHalo(Psi);
// ScaLBL_D3Q7_Poisson_ElectricField(NeighborList, dvcMap, dvcID, Psi, ElectricField, BoundaryConditionSolid,
// Nx, Nx*Ny, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
// ScaLBL_Comm_Regular->RecvHalo(Psi);
// ScaLBL_Comm->Barrier();
// if (BoundaryCondition == 1){
// ScaLBL_Comm->Poisson_D3Q7_BC_z(dvcMap,Psi,Vin);
// ScaLBL_Comm->Poisson_D3Q7_BC_Z(dvcMap,Psi,Vout);
// }
// ScaLBL_D3Q7_Poisson_ElectricField(NeighborList, dvcMap, dvcID, Psi, ElectricField, BoundaryConditionSolid, Nx, Nx*Ny, 0, ScaLBL_Comm->LastExterior(), Np);
//
//}
//void ScaLBL_Poisson::getElectricPotential(){
//
// DoubleArray PhaseField(Nx,Ny,Nz);
// ScaLBL_Comm->RegularLayout(Map,Psi,PhaseField);
// //ScaLBL_Comm->Barrier(); comm.barrier();
// FILE *OUTFILE;
// sprintf(LocalRankFilename,"Electric_Potential.%05i.raw",rank);
// OUTFILE = fopen(LocalRankFilename,"wb");
// fwrite(PhaseField.data(),8,N,OUTFILE);
// fclose(OUTFILE);
//}
//old version where Psi is of size Np
//void ScaLBL_Poisson::AssignSolidBoundary(double *poisson_solid)
//{
// size_t NLABELS=0;
// signed char VALUE=0;
// double AFFINITY=0.f;
//
// auto LabelList = electric_db->getVector<int>( "SolidLabels" );
// auto AffinityList = electric_db->getVector<double>( "SolidValues" );
//
// NLABELS=LabelList.size();
// if (NLABELS != AffinityList.size()){
// ERROR("Error: LB-Poisson Solver: SolidLabels and SolidValues must be the same length! \n");
// }
//
// double label_count[NLABELS];
// double label_count_global[NLABELS];
// // Assign the labels
//
// for (size_t idx=0; idx<NLABELS; idx++) label_count[idx]=0;
//
// for (int k=0;k<Nz;k++){
// for (int j=0;j<Ny;j++){
// for (int i=0;i<Nx;i++){
// int n = k*Nx*Ny+j*Nx+i;
// VALUE=Mask->id[n];
// AFFINITY=0.f;
// // Assign the affinity from the paired list
// for (unsigned int idx=0; idx < NLABELS; idx++){
// //printf("idx=%i, value=%i, %i, \n",idx, VALUE,LabelList[idx]);
// if (VALUE == LabelList[idx]){
// AFFINITY=AffinityList[idx];
// //NOTE need to convert the user input phys unit to LB unit
// if (BoundaryConditionSolid==2){
// //for BCS=1, i.e. Dirichlet-type, no need for unit conversion
// //TODO maybe there is a factor of gamm missing here ?
// AFFINITY = AFFINITY*(h*h*1.0e-12)/epsilon_LB;
// }
// label_count[idx] += 1.0;
// idx = NLABELS;
// //Mask->id[n] = 0; // set mask to zero since this is an immobile component
// }
// }
// poisson_solid[n] = AFFINITY;
// }
// }
// }
//
// for (size_t idx=0; idx<NLABELS; idx++)
// label_count_global[idx]=Dm->Comm.sumReduce( label_count[idx]);
//
// if (rank==0){
// printf("LB-Poisson Solver: number of Poisson solid labels: %lu \n",NLABELS);
// for (unsigned int idx=0; idx<NLABELS; idx++){
// VALUE=LabelList[idx];
// AFFINITY=AffinityList[idx];
// double volume_fraction = double(label_count_global[idx])/double((Nx-2)*(Ny-2)*(Nz-2)*nprocs);
// switch (BoundaryConditionSolid){
// case 1:
// printf(" label=%d, surface potential=%.3g [V], volume fraction=%.2g\n",VALUE,AFFINITY,volume_fraction);
// break;
// case 2:
// printf(" label=%d, surface charge density=%.3g [C/m^2], volume fraction=%.2g\n",VALUE,AFFINITY,volume_fraction);
// break;
// default:
// printf(" label=%d, surface potential=%.3g [V], volume fraction=%.2g\n",VALUE,AFFINITY,volume_fraction);
// break;
// }
// }
// }
//}
// old version where Psi is of size Np
//void ScaLBL_Poisson::Potential_Init(double *psi_init){
//
// if (BoundaryCondition==1){
// if (electric_db->keyExists( "Vin" )){
// Vin = electric_db->getScalar<double>( "Vin" );
// }
// if (electric_db->keyExists( "Vout" )){
// Vout = electric_db->getScalar<double>( "Vout" );
// }
// }
// //By default only periodic BC is applied and Vin=Vout=1.0, i.e. there is no potential gradient along Z-axis
// double slope = (Vout-Vin)/(Nz-2);
// double psi_linearized;
// for (int k=0;k<Nz;k++){
// if (k==0 || k==1){
// psi_linearized = Vin;
// }
// else if (k==Nz-1 || k==Nz-2){
// psi_linearized = Vout;
// }
// else{
// psi_linearized = slope*(k-1)+Vin;
// }
// for (int j=0;j<Ny;j++){
// for (int i=0;i<Nx;i++){
// int idx = Map(i,j,k);
// if (!(idx < 0)){
// psi_init[idx] = psi_linearized;
// }
// }
// }
// }
//}

3
models/PoissonSolver.h
View File

@ -39,6 +39,7 @@ public:
void Run(double *ChargeDensity, DoubleArray MembraneDistance,
bool UseSlippingVelBC, int timestep_from_Study);
void getElectricPotential(DoubleArray &ReturnValues);
void getSolverError(DoubleArray &ReturnValues);
void getElectricPotential_debug(int timestep);
void getElectricField(DoubleArray &Values_x, DoubleArray &Values_y,
DoubleArray &Values_z);
@ -96,6 +97,7 @@ public:
double *Psi;
int *Psi_BCLabel;
double *ElectricField;
double *Permittivity;
double *ChargeDensityDummy; // for debugging
double *ResidualError;
@ -120,6 +122,7 @@ private:
//void SolveElectricField();
void SolvePoissonAAodd(double *ChargeDensity, bool UseSlippingVelBC, int timestep);
void SolvePoissonAAeven(double *ChargeDensity, bool UseSlippingVelBC, int timestep);
void SetMeanZeroVoltage();
void getConvergenceLog(int timestep,double error);
double getBoundaryVoltagefromPeriodicBC(double V0,double freq,double t0,int time_step);

5
tests/TestMembrane.cpp
View File

@ -34,7 +34,8 @@ int main(int argc, char **argv)
{
int i,j,k,n;
bool Bounceback = false;
int rank = comm.getRank();
if (rank == 0){
printf("********************************************************\n");
@ -300,7 +301,7 @@ int main(int argc, char **argv)
ScaLBL_CopyToDevice(fq, fq_host, sizeof(double)*7*Np);
M.SendD3Q7AA(&fq[0]);
M.RecvD3Q7AA(&gq[0]);
M.RecvD3Q7AA(&gq[0],Bounceback);
// this has only the communicated values
//ScaLBL_CopyToHost(fq_host, gq, sizeof(double)*7*Np);
if (rank==0) printf ("Sum result \n");