/* * Gauss's Law solver */ #include "models/PoissonSolver.h" #include "analysis/distance.h" #include "common/ReadMicroCT.h" static inline bool fileExists( const std::string &filename ) { std::ifstream ifile( filename.c_str() ); return ifile.good(); } ScaLBL_Poisson::ScaLBL_Poisson(int RANK, int NP, const Utilities::MPI& COMM): rank(RANK), TIMELOG(nullptr), nprocs(NP),timestep(0),timestepMax(0),tau(0),k2_inv(0),tolerance(0),h(0), epsilon0(0),epsilon0_LB(0),epsilonR(0),epsilon_LB(0),Vin(0),Vout(0),Nx(0),Ny(0),Nz(0),N(0),Np(0),analysis_interval(0), chargeDen_dummy(0),WriteLog(0),nprocx(0),nprocy(0),nprocz(0), BoundaryConditionInlet(0),BoundaryConditionOutlet(0),BoundaryConditionSolidList(0),Lx(0),Ly(0),Lz(0), Vin0(0),freqIn(0),PhaseShift_In(0),Vout0(0),freqOut(0),PhaseShift_Out(0), TestPeriodic(0),TestPeriodicTime(0),TestPeriodicTimeConv(0),TestPeriodicSaveInterval(0), comm(COMM) { if ( rank == 0 ) { bool WriteHeader = !fileExists( "PoissonSolver_Convergence.csv" ); TIMELOG = fopen("PoissonSolver_Convergence.csv","a+"); if (WriteHeader) fprintf(TIMELOG,"Timestep Error\n"); } } ScaLBL_Poisson::~ScaLBL_Poisson() { ScaLBL_FreeDeviceMemory(NeighborList); 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 ); } void ScaLBL_Poisson::ReadParams(string filename){ // read the input database db = std::make_shared( filename ); domain_db = db->getDatabase( "Domain" ); electric_db = db->getDatabase( "Poisson" ); k2_inv = 3.0;//speed of sound for D3Q19 lattice tau = 0.5+k2_inv; timestepMax = 100000; tolerance = 1.0e-6;//stopping criterion for obtaining steady-state electricla potential h = 1.0;//resolution; unit: um/lu epsilon0 = 8.85e-12;//electric permittivity of vaccum; unit:[C/(V*m)] epsilon0_LB = epsilon0*(h*1.0e-6);//unit:[C/(V*lu)] epsilonR = 78.4;//default dielectric constant of water epsilon_LB = epsilon0_LB*epsilonR;//electric permittivity analysis_interval = 1000; chargeDen_dummy = 1.0e-3;//For debugging;unit=[C/m^3] WriteLog = false; TestPeriodic = false; TestPeriodicTime = 1.0;//unit: [sec] TestPeriodicTimeConv = 0.01; //unit [sec/lt] TestPeriodicSaveInterval = 0.1; //unit [sec] Restart = false; // LB-Poisson Model parameters if (electric_db->keyExists( "Restart" )){ Restart = electric_db->getScalar("Restart"); } if (electric_db->keyExists( "timestepMax" )){ timestepMax = electric_db->getScalar( "timestepMax" ); } if (electric_db->keyExists( "tau" )){ tau = electric_db->getScalar( "tau" ); } if (electric_db->keyExists( "analysis_interval" )){ analysis_interval = electric_db->getScalar( "analysis_interval" ); } if (electric_db->keyExists( "tolerance" )){ tolerance = electric_db->getScalar( "tolerance" ); } //'tolerance_method' can be {"MSE","MSE_max"} tolerance_method = electric_db->getWithDefault( "tolerance_method", "MSE" ); lattice_scheme = electric_db->getWithDefault( "lattice_scheme", "D3Q19" ); if (electric_db->keyExists( "epsilonR" )){ epsilonR = electric_db->getScalar( "epsilonR" ); } if (electric_db->keyExists( "DummyChargeDen" )){ chargeDen_dummy = electric_db->getScalar( "DummyChargeDen" ); } if (electric_db->keyExists( "WriteLog" )){ WriteLog = electric_db->getScalar( "WriteLog" ); } if (electric_db->keyExists( "TestPeriodic" )){ TestPeriodic = electric_db->getScalar( "TestPeriodic" ); } if (electric_db->keyExists( "TestPeriodicTime" )){ TestPeriodicTime = electric_db->getScalar( "TestPeriodicTime" ); } if (electric_db->keyExists( "TestPeriodicTimeConv" )){ TestPeriodicTimeConv = electric_db->getScalar( "TestPeriodicTimeConv" ); } if (electric_db->keyExists( "TestPeriodicSaveInterval" )){ TestPeriodicSaveInterval = electric_db->getScalar( "TestPeriodicSaveInterval" ); } // Read solid boundary condition specific to Poisson equation // BC_solid=1: Dirichlet-type surfacen potential // BC_solid=2: Neumann-type surfacen charge density BoundaryConditionSolidList.push_back(1); if (electric_db->keyExists( "BC_SolidList" )){ BoundaryConditionSolidList.clear(); BoundaryConditionSolidList = electric_db->getVector( "BC_SolidList" ); } // Read boundary condition for electric potential // BC = 0: normal periodic BC // BC = 1: fixed electric potential // BC = 2: sine/cosine periodic electric potential (need extra input parameters) BoundaryConditionInlet = 0; BoundaryConditionOutlet = 0; if (electric_db->keyExists( "BC_Inlet" )){ BoundaryConditionInlet = electric_db->getScalar( "BC_Inlet" ); } if (electric_db->keyExists( "BC_Outlet" )){ BoundaryConditionOutlet = electric_db->getScalar( "BC_Outlet" ); } // Read domain parameters if (domain_db->keyExists( "voxel_length" )){//default unit: um/lu h = domain_db->getScalar( "voxel_length" ); } //Re-calcualte model parameters if user updates input epsilon0_LB = epsilon0*(h*1.0e-6);//unit:[C/(V*lu)] epsilon_LB = epsilon0_LB*epsilonR;//electric permittivity /* restart string */ sprintf(LocalRankString, "%05d", rank); 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); if (rank==0) printf(" LB relaxation tau = %.5g \n", tau); if (rank==0) printf("***********************************************************************************\n"); if (tolerance_method.compare("MSE")==0){ if (rank==0) printf("LB-Poisson Solver: Use averaged MSE to check solution convergence.\n"); } else if (tolerance_method.compare("MSE_max")==0){ if (rank==0) printf("LB-Poisson Solver: Use maximum MSE to check solution convergence.\n"); } else{ if (rank==0) printf("LB-Poisson Solver: tolerance_method=%s cannot be identified!\n",tolerance_method.c_str()); } if (lattice_scheme.compare("D3Q7")==0){ if (rank==0) printf("LB-Poisson Solver: Use D3Q7 lattice structure.\n"); } else if (lattice_scheme.compare("D3Q19")==0){ if (rank==0) printf("LB-Poisson Solver: Use D3Q19 lattice structure.\n"); } else{ if (rank==0) printf("LB-Poisson Solver: lattice_scheme=%s cannot be identified!\n",lattice_scheme.c_str()); } } void ScaLBL_Poisson::SetDomain(){ Dm = std::shared_ptr(new Domain(domain_db,comm)); // full domain for analysis Mask = std::shared_ptr(new Domain(domain_db,comm)); // mask domain removes immobile phases // domain parameters Nx = Dm->Nx; Ny = Dm->Ny; Nz = Dm->Nz; Lx = Dm->Lx; Ly = Dm->Ly; Lz = Dm->Lz; N = Nx*Ny*Nz; Distance.resize(Nx,Ny,Nz); Psi_host.resize(Nx,Ny,Nz); Psi_previous.resize(Nx,Ny,Nz); for (int i=0; iid[i] = 1; // initialize this way //Averages = std::shared_ptr ( new TwoPhase(Dm) ); // TwoPhase analysis object comm.barrier(); if (BoundaryConditionInlet==0 && BoundaryConditionOutlet==0){ Dm->BoundaryCondition = 0; Mask->BoundaryCondition = 0; } else if (BoundaryConditionInlet>0 && BoundaryConditionOutlet>0){ Dm->BoundaryCondition = 1; Mask->BoundaryCondition = 1; } else {//i.e. non-periodic and periodic BCs are mixed ERROR("Error: check the type of inlet and outlet boundary condition! Mixed periodic and non-periodic BCs are found!\n"); } Dm->CommInit(); comm.barrier(); rank = Dm->rank(); nprocx = Dm->nprocx(); nprocy = Dm->nprocy(); nprocz = Dm->nprocz(); } void ScaLBL_Poisson::ReadInput(){ sprintf(LocalRankString,"%05d",Dm->rank()); sprintf(LocalRankFilename,"%s%s","ID.",LocalRankString); sprintf(LocalRestartFile,"%s%s","PoissonSolver.",LocalRankString); if (domain_db->keyExists( "Filename" )){ auto Filename = domain_db->getScalar( "Filename" ); Mask->Decomp(Filename); } else if (domain_db->keyExists( "GridFile" )){ // Read the local domain data auto input_id = readMicroCT( *domain_db, comm ); // Fill the halo (assuming GCW of 1) array size0 = { (int) input_id.size(0), (int) input_id.size(1), (int) input_id.size(2) }; ArraySize size1 = { (size_t) Mask->Nx, (size_t) Mask->Ny, (size_t) Mask->Nz }; ASSERT( (int) size1[0] == size0[0]+2 && (int) size1[1] == size0[1]+2 && (int) size1[2] == size0[2]+2 ); fillHalo fill( comm, Mask->rank_info, size0, { 1, 1, 1 }, 0, 1 ); Array id_view; id_view.viewRaw( size1, Mask->id.data() ); fill.copy( input_id, id_view ); fill.fill( id_view ); } else{ Mask->ReadIDs(); } // Generate the signed distance map // Initialize the domain and communication Array id_solid(Nx,Ny,Nz); // Solve for the position of the solid phase for (int k=0;kid[n] > 0) id_solid(i,j,k) = 1; else id_solid(i,j,k) = 0; } } } // Initialize the signed distance function for (int k=0;kSDs); if (rank==0) printf("LB-Poisson Solver: Initialized solid phase & converting to Signed Distance function \n"); CalcDist(Distance,id_solid,*Dm); if (rank == 0) cout << " Domain set." << endl; } void ScaLBL_Poisson::AssignSolidBoundary(double *poisson_solid, int *poisson_solid_BClabel) { signed char VALUE=0; double AFFINITY=0.f; int BoundaryConditionSolid=0; auto LabelList = electric_db->getVector( "SolidLabels" ); auto AffinityList = electric_db->getVector( "SolidValues" ); size_t NLABELS = LabelList.size(); 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( "SolidLabels" ); auto PermittivityList = electric_db->getVector( "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;kid[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 label_count( NLABELS, 0.0 ); std::vector label_count_global( NLABELS, 0.0 ); // Assign the labels for (size_t idx=0; idxid[n]; AFFINITY=0.f; BoundaryConditionSolid=0; // Assign the affinity from the paired list for (unsigned int idx=0; idx < NLABELS; idx++){ if (VALUE == LabelList[idx]){ AFFINITY=AffinityList[idx]; BoundaryConditionSolid=BoundaryConditionSolidList[idx]; if (BoundaryConditionSolid!=1 && BoundaryConditionSolid!=2){ ERROR("Error: LB-Poisson Solver: Note only BC_SolidList of 1 or 2 is supported!\n"); } //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 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; poisson_solid_BClabel[n] = BoundaryConditionSolid; } } } for (size_t idx=0; idxComm.sumReduce( label_count[idx]); if (rank==0){ printf("LB-Poisson Solver: number of Poisson solid labels: %lu \n",NLABELS); for (unsigned int idx=0; idxrank(); //......................................................... // Initialize communication structures in averaging domain for (int i=0; iid[i] = Mask->id[i]; Mask->CommInit(); Np=Mask->PoreCount(); //........................................................................... if (rank==0) printf ("LB-Poisson Solver: 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(new ScaLBL_Communicator(Mask)); ScaLBL_Comm_Regular = std::shared_ptr(new ScaLBL_Communicator(Mask)); int Npad=(Np/16 + 2)*16; if (rank==0) printf ("LB-Poisson Solver: Set up memory efficient layout \n"); Map.resize(Nx,Ny,Nz); Map.fill(-2); auto neighborList= new int[18*Npad]; Np = ScaLBL_Comm->MemoryOptimizedLayoutAA(Map,neighborList,Mask->id.data(),Npad,1); comm.barrier(); //........................................................................... // MAIN VARIABLES ALLOCATED HERE //........................................................................... // LBM variables if (rank==0) printf ("LB-Poisson Solver: Allocating distributions \n"); //......................device distributions................................. 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); if (lattice_scheme.compare("D3Q7")==0){ ScaLBL_AllocateDeviceMemory((void **) &fq, 7*dist_mem_size); } else if (lattice_scheme.compare("D3Q19")==0){ ScaLBL_AllocateDeviceMemory((void **) &fq, 19*dist_mem_size); } //........................................................................... // Update GPU data structures if (rank==0) printf ("LB-Poisson Solver: Setting up device map and neighbor list \n"); fflush(stdout); int *TmpMap; TmpMap=new int[Np]; for (int k=1; kLastExterior(); idx++){ auto n = TmpMap[idx]; if (n > Nx*Ny*Nz){ printf("Bad value! idx=%i \n", n); TmpMap[idx] = Nx*Ny*Nz-1; } } for (int idx=ScaLBL_Comm->FirstInterior(); idxLastInterior(); idx++){ auto n = TmpMap[idx]; if ( n > Nx*Ny*Nz ){ printf("Bad value! idx=%i \n",n); TmpMap[idx] = Nx*Ny*Nz-1; } } comm.barrier(); if (rank==0) printf (" .... LB-Poisson Solver: copy neighbor list to GPU \n"); ScaLBL_CopyToDevice(dvcMap, TmpMap, sizeof(int)*Np); ScaLBL_Comm->Barrier(); delete [] TmpMap; // copy the neighbor list ScaLBL_CopyToDevice(NeighborList, neighborList, neighborSize); ScaLBL_Comm->Barrier(); comm.barrier(); delete [] neighborList; // copy node ID //ScaLBL_CopyToDevice(dvcID, Mask->id, sizeof(signed char)*Nx*Ny*Nz); //ScaLBL_Comm->Barrier(); //Initialize solid boundary for electric potential // DON'T USE WITH CELLULAR SYSTEM (NO SOLID -- NEED Membrane SOLUTION) ScaLBL_Comm->SetupBounceBackList(Map, Mask->id.data(), Np); comm.barrier(); } void ScaLBL_Poisson::Potential_Init(double *psi_init){ //set up default boundary input parameters Vin0 = Vout0 = 1.0; //unit: [V] freqIn = freqOut = 50.0; //unit: [Hz] PhaseShift_In = PhaseShift_Out = 0.0; //unit: [radian] 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){ signed char VALUE=0; double AFFINITY=0.f; auto LabelList = electric_db->getVector( "InitialValueLabels" ); auto AffinityList = electric_db->getVector( "InitialValues" ); auto PermittivityList = electric_db->getVector( "PermittivityValues" ); size_t NLABELS = LabelList.size(); if (NLABELS != AffinityList.size()){ ERROR("Error: LB-Poisson Solver: InitialValueLabels and InitialValues must be of the same length! \n"); } std::vector label_count( NLABELS, 0.0 ); std::vector label_count_global( NLABELS, 0.0 ); for (int k=0;kid[n]; AFFINITY=0.f; // Assign the affinity from the paired list for (unsigned int idx=0; idx < NLABELS; idx++){ if (VALUE == LabelList[idx]){ AFFINITY=AffinityList[idx]; label_count[idx] += 1.0; idx = NLABELS; } } int idx=Map(i,j,k); if (!(idx<0)) psi_init[n] = AFFINITY; } } } for (size_t idx=0; idxComm.sumReduce( label_count[idx]); if (rank==0){ printf("LB-Poisson Solver: number of Poisson initial-value labels: %lu \n",NLABELS); for (unsigned int idx=0; idx0 && BoundaryConditionOutlet>0){ //read input parameters for inlet switch (BoundaryConditionInlet){ case 1: if (electric_db->keyExists( "Vin" )){ Vin = electric_db->getScalar( "Vin" ); } if (rank==0) printf("LB-Poisson Solver: inlet boundary; fixed electric potential Vin = %.3g [V]\n",Vin); break; case 2: if (electric_db->keyExists( "Vin0" )){//voltage amplitude; unit: Volt Vin0 = electric_db->getScalar( "Vin0" ); } if (electric_db->keyExists( "freqIn" )){//unit: Hz freqIn = electric_db->getScalar( "freqIn" ); } if (electric_db->keyExists( "PhaseShift_In" )){//phase shift, unit: radian PhaseShift_In = electric_db->getScalar( "PhaseShift_In" ); } if (rank==0){ printf("LB-Poisson Solver: inlet boundary; periodic electric potential Vin = %.3g*Cos[2*pi*%.3g*t+%.3g] [V] \n",Vin0,freqIn,PhaseShift_In); printf(" V0 = %.3g [V], frequency = %.3g [Hz], phase shift = %.3g [radian] \n",Vin0,freqIn,PhaseShift_In); } break; } //read input parameters for outlet switch (BoundaryConditionOutlet){ case 1: if (electric_db->keyExists( "Vout" )){ Vout = electric_db->getScalar( "Vout" ); } if (rank==0) printf("LB-Poisson Solver: outlet boundary; fixed electric potential Vout = %.3g [V] \n",Vout); break; case 2: if (electric_db->keyExists( "Vout0" )){//voltage amplitude; unit: Volt Vout0 = electric_db->getScalar( "Vout0" ); } if (electric_db->keyExists( "freqOut" )){//unit: Hz freqOut = electric_db->getScalar( "freqOut" ); } if (electric_db->keyExists( "PhaseShift_Out" )){//timestep shift, unit: lt PhaseShift_Out = electric_db->getScalar( "PhaseShift_Out" ); } if (rank==0){ printf("LB-Poisson Solver: outlet boundary; periodic electric potential Vout = %.3g*Cos[2*pi*%.3g*t+%.3g] [V]\n",Vout0,freqOut,PhaseShift_Out); printf(" V0 = %.3g [V], frequency = %.3g [Hz], timestep shift = %.3g [radian] \n",Vout0,freqOut,PhaseShift_Out); } break; } //calcualte inlet/outlet voltage for the case of BCInlet/Outlet=2 if (BoundaryConditionInlet==2) Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,0); 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)*Dm->nprocz()); double psi_linearized = Vin; for (int k=0;kkproc() == 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;jid[n]>0){ psi_init[n] = psi_linearized; } } } } } else{//mixed periodic and non-periodic BCs are not supported! ERROR("Error: check the type of inlet and outlet boundary condition! Mixed periodic and non-periodic BCs are found!\n"); } /** RESTART **/ if (Restart == true) { if (rank == 0) { printf(" POISSON MODEL: Reading restart file! \n"); } ifstream File(LocalRestartFile, ios::binary); double value; // Read the distributions for (int n = 0; n < Nx*Ny*Nz; n++) { File.read((char *)&value, sizeof(value)); psi_init[n] = value; } File.close(); } /** END RESTART **/ } double ScaLBL_Poisson::getBoundaryVoltagefromPeriodicBC(double V0, double freq, double phase_shift, int time_step){ return V0*cos(2.0*M_PI*freq*time_conv*time_step+phase_shift); } void ScaLBL_Poisson::Initialize(double time_conv_from_Study){ /* * This function initializes model * "time_conv_from_Study" is the phys to LB time conversion factor, unit=[sec/lt] * which is used for periodic voltage input for inlet and outlet boundaries */ if (lattice_scheme.compare("D3Q7")==0){ if (rank==0) printf ("LB-Poisson Solver: initializing D3Q7 distributions\n"); } else if (lattice_scheme.compare("D3Q19")==0){ if (rank==0) printf ("LB-Poisson Solver: initializing D3Q19 distributions\n"); } //NOTE the initialization involves two steps: //1. assign solid boundary value (surface potential or surface change density) //2. Initialize electric potential for pore nodes double *psi_host; int *psi_BCLabel_host; psi_host = new double [Nx*Ny*Nz]; psi_BCLabel_host = new int [Nx*Ny*Nz]; time_conv = time_conv_from_Study; AssignSolidBoundary(psi_host,psi_BCLabel_host);//step1 Potential_Init(psi_host);//step2 ScaLBL_CopyToDevice(Psi, psi_host, Nx*Ny*Nz*sizeof(double)); ScaLBL_CopyToDevice(Psi_BCLabel, psi_BCLabel_host, Nx*Ny*Nz*sizeof(int)); ScaLBL_Comm->Barrier(); if (lattice_scheme.compare("D3Q7")==0){ ScaLBL_D3Q7_Poisson_Init(dvcMap, fq, Psi, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np); ScaLBL_D3Q7_Poisson_Init(dvcMap, fq, Psi, 0, ScaLBL_Comm->LastExterior(), Np); } else if (lattice_scheme.compare("D3Q19")==0){ /* switch to d3Q19 model */ ScaLBL_D3Q19_Poisson_Init(dvcMap, fq, Psi, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np); ScaLBL_D3Q19_Poisson_Init(dvcMap, fq, Psi, 0, ScaLBL_Comm->LastExterior(), Np); } delete [] psi_host; delete [] psi_BCLabel_host; //extra treatment for halo layer //if (BoundaryCondition==1){ // if (Dm->kproc()==0){ // ScaLBL_SetSlice_z(Psi,Vin,Nx,Ny,Nz,0); // } // if (Dm->kproc() == nprocz-1){ // ScaLBL_SetSlice_z(Psi,Vout,Nx,Ny,Nz,Nz-1); // } //} } void ScaLBL_Poisson::Run(double *ChargeDensity, bool UseSlippingVelBC, int timestep_from_Study){ double error = 1.0; if (lattice_scheme.compare("D3Q7")==0){ timestep=0; while (timestep < timestepMax && error > tolerance) { //************************************************************************/ // *************ODD TIMESTEP*************// timestep++; SolveElectricPotentialAAodd(timestep_from_Study);//update electric potential SolvePoissonAAodd(ChargeDensity, UseSlippingVelBC,timestep);//perform collision ScaLBL_Comm->Barrier(); comm.barrier(); // *************EVEN TIMESTEP*************// timestep++; SolveElectricPotentialAAeven(timestep_from_Study);//update electric potential SolvePoissonAAeven(ChargeDensity, UseSlippingVelBC,timestep);//perform collision ScaLBL_Comm->Barrier(); comm.barrier(); //************************************************************************/ // Check convergence of steady-state solution if (timestep==2){ //save electric potential for convergence check ScaLBL_CopyToHost(Psi_previous.data(),Psi,sizeof(double)*Nx*Ny*Nz); } if (timestep%analysis_interval==0){ if (tolerance_method.compare("MSE")==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 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("MSE_max")==0){ vectorMSE_loc; double MSE_loc_max; ScaLBL_CopyToHost(Psi_host.data(),Psi,sizeof(double)*Nx*Ny*Nz); for (int k=1; 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::iterator it_max = max_element(MSE_loc.begin(),MSE_loc.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); } } } else if (lattice_scheme.compare("D3Q19")==0){ double *host_Error; host_Error = new double [Np]; timestep=0; auto t1 = std::chrono::system_clock::now(); while (timestep < timestepMax && error > tolerance) { // 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(); while (timestep < timestepMax && error > tolerance) { //************************************************************************/ // *************ODD TIMESTEP*************// // Set boundary conditions timestep++; //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 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 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"); // Compute the walltime per timestep auto t2 = std::chrono::system_clock::now(); double cputime = std::chrono::duration(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) 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"); delete [] host_Error; } //************************************************************************/ if(WriteLog==true){ getConvergenceLog(timestep,error); } } void ScaLBL_Poisson::Run(double *ChargeDensity, DoubleArray MembraneDistance, bool UseSlippingVelBC, int timestep_from_Study){ double error = 1.0; double threshold = 10000000.0; bool SET_THRESHOLD = false; if (electric_db->keyExists( "rescale_at_distance" )){ SET_THRESHOLD = true; threshold = electric_db->getScalar( "rescale_at_distance" ); } if (BoundaryConditionInlet > 0) SET_THRESHOLD = false; if (BoundaryConditionOutlet > 0) SET_THRESHOLD = false; 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(); while (timestep < timestepMax && error > tolerance) { //************************************************************************/ // *************ODD TIMESTEP*************// timestep++; //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++; //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 max_error ){ max_error = err; } } error=Dm->Comm.maxReduce(max_error); if (error > tolerance && SET_THRESHOLD){ /* don't use this with an external BC */ // cpompute the far-field electric potential double inside_local = 0.0; double outside_local = 0.0; double inside_count_local = 0.0; double outside_count_local = 0.0; /* global values */ double inside_global = 0.0; double outside_global = 0.0; double inside_count_global = 0.0; double outside_count_global = 0.0; for (int k=1; k threshold && distance < (threshold + 1.0)){ outside_count_local += 1.0; outside_local += Psi_host(n); } else if (distance < (-1.0)*threshold && distance > (-1.0)*(threshold + 1.0)){ inside_count_local += 1.0; inside_local += Psi_host(n); } } } } inside_count_global = Dm->Comm.sumReduce(inside_count_local); outside_count_global = Dm->Comm.sumReduce(outside_count_local); outside_global = Dm->Comm.sumReduce(outside_local); inside_global = Dm->Comm.sumReduce(inside_local); outside_global /= outside_count_global; inside_global /= inside_count_global; if (rank==0) printf(" Rescaling far-field electric potential to value (outside): %f \n",outside_global); if (rank==0) printf(" Rescaling far-field electric potential to value (inside): %f \n",inside_global); // rescale the far-field electric potential for (int k=1; k (threshold + 1.0)){ Psi_host(n) = outside_global; } else if ( distance < (-1.0)*(threshold + 1.0)){ Psi_host(n) = inside_global; } } } } ScaLBL_CopyToDevice(Psi,Psi_host.data(),sizeof(double)*Nx*Ny*Nz); } /* compute the eletric field */ //ScaLBL_D3Q19_Poisson_getElectricField(fq, ElectricField, tau, Np); } } // SetMeanZeroVoltage(); if (rank == 0) printf("---------------------------------------------------------------" "----\n"); // Compute the walltime per timestep auto t2 = std::chrono::system_clock::now(); double cputime = std::chrono::duration(t2 - t1).count() / 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"); delete [] host_Error; //************************************************************************/ if(WriteLog==true){ getConvergenceLog(timestep,error); } } 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; kComm.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; kSendD3Q7AA(fq, 0); //READ FROM NORMAL ScaLBL_D3Q7_AAodd_Poisson_ElectricPotential(NeighborList, dvcMap, fq, Psi, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np); ScaLBL_Comm->RecvD3Q7AA(fq, 0); //WRITE INTO OPPOSITE ScaLBL_Comm->Barrier(); // Set boundary conditions if (BoundaryConditionInlet > 0){ switch (BoundaryConditionInlet){ case 1: ScaLBL_Comm->D3Q7_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep); break; case 2: Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep_from_Study); ScaLBL_Comm->D3Q7_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep); break; } } if (BoundaryConditionOutlet > 0){ switch (BoundaryConditionOutlet){ case 1: ScaLBL_Comm->D3Q7_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep); break; case 2: Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep_from_Study); ScaLBL_Comm->D3Q7_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep); break; } } //-------------------------// ScaLBL_D3Q7_AAodd_Poisson_ElectricPotential(NeighborList, dvcMap, fq, Psi, 0, ScaLBL_Comm->LastExterior(), Np); } else if (lattice_scheme.compare("D3Q19")==0){ ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL //ScaLBL_D3Q19_AAodd_Poisson_ElectricPotential(NeighborList, dvcMap, fq, ChargeDensity, Psi, epsilon_LB, UseSlippingVelBC, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np); ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE ScaLBL_Comm->Barrier(); // Set boundary conditions if (BoundaryConditionInlet > 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){ switch (BoundaryConditionOutlet){ case 1: ScaLBL_Comm->D3Q19_Poisson_Potential_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); break; } } //-------------------------// //ScaLBL_D3Q19_AAodd_Poisson_ElectricPotential(NeighborList, dvcMap, fq, ChargeDensity, Psi, epsilon_LB, UseSlippingVelBC, 0, ScaLBL_Comm->LastExterior(), Np); } } void ScaLBL_Poisson::SolveElectricPotentialAAeven(int timestep_from_Study){ if (lattice_scheme.compare("D3Q7")==0){ ScaLBL_Comm->SendD3Q7AA(fq, 0); //READ FORM NORMAL ScaLBL_D3Q7_AAeven_Poisson_ElectricPotential(dvcMap, fq, Psi, ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np); ScaLBL_Comm->RecvD3Q7AA(fq, 0); //WRITE INTO OPPOSITE ScaLBL_Comm->Barrier(); // Set boundary conditions if (BoundaryConditionInlet > 0){ switch (BoundaryConditionInlet){ case 1: ScaLBL_Comm->D3Q7_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep); break; case 2: Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep_from_Study); ScaLBL_Comm->D3Q7_Poisson_Potential_BC_z(NeighborList, fq, Vin, timestep); break; } } if (BoundaryConditionOutlet > 0){ switch (BoundaryConditionOutlet){ case 1: ScaLBL_Comm->D3Q7_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep); break; case 2: Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep_from_Study); ScaLBL_Comm->D3Q7_Poisson_Potential_BC_Z(NeighborList, fq, Vout, timestep); break; } } //-------------------------// ScaLBL_D3Q7_AAeven_Poisson_ElectricPotential(dvcMap, fq, Psi, 0, ScaLBL_Comm->LastExterior(), Np); } else if (lattice_scheme.compare("D3Q19")==0){ ScaLBL_Comm->SendD3Q19AA(fq); //READ FORM NORMAL //ScaLBL_D3Q19_AAeven_Poisson_ElectricPotential(dvcMap, fq, ChargeDensity, Psi, epsilon_LB, UseSlippingVelBC, // ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np); ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE ScaLBL_Comm->Barrier(); // Set boundary conditions if (BoundaryConditionInlet > 0){ switch (BoundaryConditionInlet){ case 1: 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_Pressure_BC_z(NeighborList, fq, Vin, timestep); break; } } if (BoundaryConditionOutlet > 0){ switch (BoundaryConditionOutlet){ case 1: 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_Pressure_BC_Z(NeighborList, fq, Vin, timestep); break; } } //-------------------------// //ScaLBL_D3Q19_AAeven_Poisson_ElectricPotential(dvcMap, fq, ChargeDensity, Psi, epsilon_LB, UseSlippingVelBC, 0, ScaLBL_Comm->LastExterior(), Np); } } 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); //TODO: perhaps add another ScaLBL_Comm routine to update Psi values on solid boundary nodes. //something like: //ScaLBL_Comm->SolidDirichletBoundaryUpdates(Psi, Psi_BCLabel, timestep); ScaLBL_Comm->SolidDirichletAndNeumannD3Q7(fq, Psi, Psi_BCLabel); //if (BoundaryConditionSolid==1){ // ScaLBL_Comm->SolidDirichletD3Q7(fq, Psi); //} //else if (BoundaryConditionSolid==2){ // ScaLBL_Comm->SolidNeumannD3Q7(fq, Psi); //} } 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, 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_Pressure_BC_z(NeighborList, fq, Vin, timestep); break; case 2: Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep); ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, Vin, timestep); break; } } if (BoundaryConditionOutlet > 0 && Dm->kproc() == nprocz-1){ switch (BoundaryConditionOutlet){ case 1: ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, Vout, timestep); break; case 2: Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep); ScaLBL_Comm->D3Q19_Pressure_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); ScaLBL_Comm->Barrier(); //TODO: perhaps add another ScaLBL_Comm routine to update Psi values on solid boundary nodes. //something like: //ScaLBL_Comm->SolidDirichletAndNeumannD3Q7(fq, Psi, Psi_BCLabel); } } 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); ScaLBL_D3Q7_AAeven_Poisson(dvcMap, fq, ChargeDensity, Psi, ElectricField, tau, epsilon_LB, UseSlippingVelBC, 0, ScaLBL_Comm->LastExterior(), Np); ScaLBL_Comm->SolidDirichletAndNeumannD3Q7(fq, Psi, Psi_BCLabel); //if (BoundaryConditionSolid==1){ // ScaLBL_Comm->SolidDirichletD3Q7(fq, Psi); //} //else if (BoundaryConditionSolid==2){ // ScaLBL_Comm->SolidNeumannD3Q7(fq, Psi); //} } 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, 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_Pressure_BC_z(NeighborList, fq, Vin, timestep); break; case 2: Vin = getBoundaryVoltagefromPeriodicBC(Vin0,freqIn,PhaseShift_In,timestep); ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, Vin, timestep); break; } } if (BoundaryConditionOutlet > 0 && Dm->kproc() == nprocz-1){ switch (BoundaryConditionOutlet){ case 1: ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, Vout, timestep); break; case 2: Vout = getBoundaryVoltagefromPeriodicBC(Vout0,freqOut,PhaseShift_Out,timestep); ScaLBL_Comm->D3Q19_Pressure_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(); //ScaLBL_Comm->SolidDirichletAndNeumannD3Q7(fq, Psi, Psi_BCLabel); } } void ScaLBL_Poisson::Checkpoint(){ if (rank == 0) { printf(" POISSON MODEL: Writing restart file! \n"); } double value; double *cPsi; cPsi = new double[Nx*Ny*Nz]; ScaLBL_CopyToHost(cPsi, Psi, Nx*Ny*Nz *sizeof(double)); ofstream File(LocalRestartFile, ios::binary); for (int n = 0; n < Nx*Ny*Nz; n++) { value = cPsi[n]; File.write((char *)&value, sizeof(value)); } File.close(); delete[] cPsi; } void ScaLBL_Poisson::DummyChargeDensity(){ double *ChargeDensity_host; ChargeDensity_host = new double[Np]; for (int k=0; kBarrier(); delete [] ChargeDensity_host; } void ScaLBL_Poisson::getElectricPotential_debug(int timestep){ //This function write out decomposed data DoubleArray PhaseField(Nx,Ny,Nz); //ScaLBL_Comm->RegularLayout(Map,Psi,PhaseField); ScaLBL_CopyToHost(PhaseField.data(),Psi,sizeof(double)*Nx*Ny*Nz); //ScaLBL_Comm->Barrier(); comm.barrier(); FILE *OUTFILE; sprintf(LocalRankFilename,"Electric_Potential_Time_%i.%05i.raw",timestep,rank); OUTFILE = fopen(LocalRankFilename,"wb"); fwrite(PhaseField.data(),8,N,OUTFILE); 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); ScaLBL_CopyToHost(ReturnValues.data(),Psi,sizeof(double)*Nx*Ny*Nz); } void ScaLBL_Poisson::getElectricField(DoubleArray &Values_x, DoubleArray &Values_y, DoubleArray &Values_z){ ScaLBL_Comm->RegularLayout(Map,&ElectricField[0*Np],Values_x); ElectricField_LB_to_Phys(Values_x); ScaLBL_Comm->Barrier(); comm.barrier(); ScaLBL_Comm->RegularLayout(Map,&ElectricField[1*Np],Values_y); ElectricField_LB_to_Phys(Values_y); ScaLBL_Comm->Barrier(); comm.barrier(); ScaLBL_Comm->RegularLayout(Map,&ElectricField[2*Np],Values_z); ElectricField_LB_to_Phys(Values_z); ScaLBL_Comm->Barrier(); comm.barrier(); } void ScaLBL_Poisson::getElectricField_debug(int timestep){ //ScaLBL_D3Q7_Poisson_getElectricField(fq,ElectricField,tau,Np); //ScaLBL_Comm->Barrier(); comm.barrier(); DoubleArray PhaseField(Nx,Ny,Nz); ScaLBL_Comm->RegularLayout(Map,&ElectricField[0*Np],PhaseField); ElectricField_LB_to_Phys(PhaseField); FILE *EX; sprintf(LocalRankFilename,"ElectricField_X_Time_%i.%05i.raw",timestep,rank); EX = fopen(LocalRankFilename,"wb"); fwrite(PhaseField.data(),8,N,EX); fclose(EX); ScaLBL_Comm->RegularLayout(Map,&ElectricField[1*Np],PhaseField); ElectricField_LB_to_Phys(PhaseField); FILE *EY; sprintf(LocalRankFilename,"ElectricField_Y_Time_%i.%05i.raw",timestep,rank); EY = fopen(LocalRankFilename,"wb"); fwrite(PhaseField.data(),8,N,EY); fclose(EY); ScaLBL_Comm->RegularLayout(Map,&ElectricField[2*Np],PhaseField); ElectricField_LB_to_Phys(PhaseField); FILE *EZ; sprintf(LocalRankFilename,"ElectricField_Z_Time_%i.%05i.raw",timestep,rank); EZ = fopen(LocalRankFilename,"wb"); fwrite(PhaseField.data(),8,N,EZ); fclose(EZ); } void ScaLBL_Poisson::ElectricField_LB_to_Phys(DoubleArray &Efield_reg){ for (int k=0;kgetDatabase("Visualization"); auto format = vis_db->getWithDefault( "format", "hdf5" ); std::vector visData; fillHalo 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); visData[0].meshName = "domain"; visData[0].mesh = std::make_shared(Dm->rank_info, Dm->Nx - 2, Dm->Ny - 2, Dm->Nz - 2, Dm->Lx, Dm->Ly, Dm->Lz); //electric potential auto ElectricPotentialVar = std::make_shared(); auto SolverErrorVar = std::make_shared(); //-------------------------------------------------------------------------------------------------------------------- DoubleArray Analytical(Nx, Ny, Nz); for (int k=0; kgetWithDefault("save_electric_potential", true)) { ElectricPotentialVar->name = "ElectricPotential"; ElectricPotentialVar->type = IO::VariableType::VolumeVariable; ElectricPotentialVar->dim = 1; ElectricPotentialVar->data.resize(Dm->Nx - 2, Dm->Ny - 2, Dm->Nz - 2); visData[0].vars.push_back(ElectricPotentialVar); } if (vis_db->getWithDefault("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-------------------------------------------------------------- if (vis_db->getWithDefault("save_electric_potential", true)) { ASSERT(visData[0].vars[0]->name == "ElectricPotential"); getElectricPotential(ElectricalPotential); Array &ElectricPotentialData = visData[0].vars[0]->data; fillData.copy(ElectricalPotential, ElectricPotentialData); } //------------------------------------Save All Variables-------------------------------------------------------------- if (vis_db->getWithDefault("save_error", true)) { ASSERT(visData[0].vars[1]->name == "SolverError"); getSolverError(SolverError); Array &SolverErrorData = visData[0].vars[1]->data; fillData.copy(SolverError, SolverErrorData); } if (vis_db->getWithDefault("write_silo", true)) IO::writeData(timestep, visData, Dm->Comm); //-------------------------------------------------------------------------------------------------------------------- }