LBPM/models/StokesModel.cpp
2023-05-28 11:59:10 -04:00

1101 lines
42 KiB
C++

/*
* Multi-relaxation time LBM Model
*/
#include "models/StokesModel.h"
#include "analysis/distance.h"
#include "common/ReadMicroCT.h"
ScaLBL_StokesModel::ScaLBL_StokesModel(int RANK, int NP,
const Utilities::MPI &COMM)
: rank(RANK), nprocs(NP), Restart(0), timestep(0), timestepMax(0), tau(0),
Fx(0), Fy(0), Fz(0), flux(0), din(0), dout(0), mu(0), h(0), nu_phys(0),
rho_phys(0), rho0(0), den_scale(0), time_conv(0), tolerance(0),
epsilon0(0), epsilon0_LB(0), epsilonR(0), epsilon_LB(0),
UseSlippingVelBC(0), Nx(0), Ny(0), Nz(0), N(0), Np(0), nprocx(0),
nprocy(0), nprocz(0), BoundaryCondition(0), Lx(0), Ly(0), Lz(0),
comm(COMM) {}
ScaLBL_StokesModel::~ScaLBL_StokesModel() {}
void ScaLBL_StokesModel::ReadParams(string filename, int num_iter) {
// read the input database
db = std::make_shared<Database>(filename);
domain_db = db->getDatabase("Domain");
stokes_db = db->getDatabase("Stokes");
//------ Load number of iteration from multiphysics controller ------//
timestepMax = num_iter;
//-------------------------------------------------------------------//
//---------------------- Default model parameters --------------------------//
rho_phys = 1000.0; //by default use water density; unit [kg/m^3]
nu_phys =
1.004e-6; //by default use water kinematic viscosity at 20C; unit [m^2/sec]
h = 1.0; //image resolution;[um]
tau = 1.0;
mu = (tau - 0.5) / 3.0; //LB kinematic viscosity;unit [lu^2/lt]
time_conv =
h * h * mu /
nu_phys; //time conversion factor from physical to LB unit; [sec/lt]
rho0 = 1.0; //LB density
den_scale =
rho_phys / rho0 * (h * h * h * 1.0e-18); //scale factor for density
tolerance = 1.0e-8;
Fx = Fy = 0.0;
Fz = 1.0e-5;
//Stokes solver also needs the following parameters for slipping velocity BC
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
UseSlippingVelBC = false;
//--------------------------------------------------------------------------//
// Read domain parameters
if (domain_db->keyExists("voxel_length")) { //default unit: um/lu
h = domain_db->getScalar<double>("voxel_length");
}
// Single-fluid Navier-Stokes Model parameters
//if (stokes_db->keyExists( "timestepMax" )){
// timestepMax = stokes_db->getScalar<int>( "timestepMax" );
//}
BoundaryCondition = 0;
if (stokes_db->keyExists("BC")) {
BoundaryCondition = stokes_db->getScalar<int>("BC");
}
if (stokes_db->keyExists("tolerance")) {
tolerance = stokes_db->getScalar<double>("tolerance");
}
if (stokes_db->keyExists("tau")) {
tau = stokes_db->getScalar<double>("tau");
}
if (stokes_db->keyExists("rho0")) {
rho0 = stokes_db->getScalar<double>("rho0");
}
if (stokes_db->keyExists("nu_phys")) {
nu_phys = stokes_db->getScalar<double>("nu_phys");
}
if (stokes_db->keyExists("rho_phys")) {
rho_phys = stokes_db->getScalar<double>("rho_phys");
}
if (stokes_db->keyExists("F")) {
Fx = stokes_db->getVector<double>("F")[0];
Fy = stokes_db->getVector<double>("F")[1];
Fz = stokes_db->getVector<double>("F")[2];
}
if (stokes_db->keyExists("Restart")) {
Restart = stokes_db->getScalar<bool>("Restart");
}
if (stokes_db->keyExists("din")) {
din = stokes_db->getScalar<double>("din");
}
if (stokes_db->keyExists("dout")) {
dout = stokes_db->getScalar<double>("dout");
}
if (stokes_db->keyExists("flux")) {
flux = stokes_db->getScalar<double>("flux");
}
if (stokes_db->keyExists("UseElectroosmoticVelocityBC")) {
UseSlippingVelBC =
stokes_db->getScalar<bool>("UseElectroosmoticVelocityBC");
}
if (stokes_db->keyExists("epsilonR")) {
epsilonR = stokes_db->getScalar<double>("epsilonR");
}
// Re-calculate model parameters due to parameter read
mu = (tau - 0.5) / 3.0;
time_conv =
(h * h * 1.0e-12) * mu /
nu_phys; //time conversion factor from physical to LB unit; [sec/lt]
den_scale =
rho_phys / rho0 * (h * h * h * 1.0e-18); //scale factor for density
epsilon0_LB = epsilon0 * (h * 1.0e-6); //unit:[C/(V*lu)]
epsilon_LB = epsilon0_LB * epsilonR; //electric permittivity
}
void ScaLBL_StokesModel::ReadParams(string filename) {
//NOTE the max time step is left unspecified
// read the input database
db = std::make_shared<Database>(filename);
domain_db = db->getDatabase("Domain");
stokes_db = db->getDatabase("Stokes");
//---------------------- Default model parameters --------------------------//
rho_phys = 1000.0; //by default use water density; unit [kg/m^3]
nu_phys =
1.004e-6; //by default use water kinematic viscosity at 20C; unit [m^2/sec]
h = 1.0; //image resolution;[um]
tau = 1.0;
mu = (tau - 0.5) / 3.0; //LB kinematic viscosity;unit [lu^2/lt]
time_conv =
h * h * mu /
nu_phys; //time conversion factor from physical to LB unit; [sec/lt]
rho0 = 1.0; //LB density
den_scale =
rho_phys / rho0 * (h * h * h * 1.0e-18); //scale factor for density
tolerance = 1.0e-8;
Fx = Fy = 0.0;
Fz = 1.0e-5;
//Stokes solver also needs the following parameters for slipping velocity BC
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
UseSlippingVelBC = false;
//--------------------------------------------------------------------------//
// Read domain parameters
if (domain_db->keyExists("voxel_length")) { //default unit: um/lu
h = domain_db->getScalar<double>("voxel_length");
}
// Single-fluid Navier-Stokes Model parameters
//if (stokes_db->keyExists( "timestepMax" )){
// timestepMax = stokes_db->getScalar<int>( "timestepMax" );
//}
BoundaryCondition = 0;
if (stokes_db->keyExists("BC")) {
BoundaryCondition = stokes_db->getScalar<int>("BC");
}
if (stokes_db->keyExists("tolerance")) {
tolerance = stokes_db->getScalar<double>("tolerance");
}
if (stokes_db->keyExists("tau")) {
tau = stokes_db->getScalar<double>("tau");
}
if (stokes_db->keyExists("rho0")) {
rho0 = stokes_db->getScalar<double>("rho0");
}
if (stokes_db->keyExists("nu_phys")) {
nu_phys = stokes_db->getScalar<double>("nu_phys");
}
if (stokes_db->keyExists("rho_phys")) {
rho_phys = stokes_db->getScalar<double>("rho_phys");
}
if (stokes_db->keyExists("F")) {
Fx = stokes_db->getVector<double>("F")[0];
Fy = stokes_db->getVector<double>("F")[1];
Fz = stokes_db->getVector<double>("F")[2];
}
if (stokes_db->keyExists("Restart")) {
Restart = stokes_db->getScalar<bool>("Restart");
}
if (stokes_db->keyExists("din")) {
din = stokes_db->getScalar<double>("din");
}
if (stokes_db->keyExists("dout")) {
dout = stokes_db->getScalar<double>("dout");
}
if (stokes_db->keyExists("flux")) {
flux = stokes_db->getScalar<double>("flux");
}
if (stokes_db->keyExists("UseElectroosmoticVelocityBC")) {
UseSlippingVelBC =
stokes_db->getScalar<bool>("UseElectroosmoticVelocityBC");
}
if (stokes_db->keyExists("epsilonR")) {
epsilonR = stokes_db->getScalar<double>("epsilonR");
}
// Re-calculate model parameters due to parameter read
mu = (tau - 0.5) / 3.0;
time_conv =
(h * h * 1.0e-12) * mu /
nu_phys; //time conversion factor from physical to LB unit; [sec/lt]
den_scale =
rho_phys / rho0 * (h * h * h * 1.0e-18); //scale factor for density
epsilon0_LB = epsilon0 * (h * 1.0e-6); //unit:[C/(V*lu)]
epsilon_LB = epsilon0_LB * epsilonR; //electric permittivity
}
void ScaLBL_StokesModel::SetDomain() {
Dm = std::shared_ptr<Domain>(
new Domain(domain_db, comm)); // full domain for analysis
Mask = std::shared_ptr<Domain>(
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);
Velocity_x.resize(Nx, Ny, Nz);
Velocity_y.resize(Nx, Ny, Nz);
Velocity_z.resize(Nx, Ny, Nz);
for (int i = 0; i < Nx * Ny * Nz; i++)
Dm->id[i] = 1; // initialize this way
//Averages = std::shared_ptr<TwoPhase> ( new TwoPhase(Dm) ); // TwoPhase analysis object
comm.barrier();
Dm->BoundaryCondition = BoundaryCondition;
Mask->BoundaryCondition = BoundaryCondition;
Dm->CommInit();
comm.barrier();
rank = Dm->rank();
nprocx = Dm->nprocx();
nprocy = Dm->nprocy();
nprocz = Dm->nprocz();
}
void ScaLBL_StokesModel::ReadInput() {
sprintf(LocalRankString, "%05d", Dm->rank());
sprintf(LocalRankFilename, "%s%s", "ID.", LocalRankString);
sprintf(LocalRestartFile, "%s%s", "Restart.", LocalRankString);
if (domain_db->keyExists("Filename")) {
auto Filename = domain_db->getScalar<std::string>("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<int, 3> 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<signed char> fill(comm, Mask->rank_info, size0, {1, 1, 1}, 0,
1);
Array<signed char> 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<char> id_solid(Nx, Ny, Nz);
// Solve for the position of the solid phase
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;
// Initialize the solid phase
if (Mask->id[n] > 0)
id_solid(i, j, k) = 1;
else
id_solid(i, j, k) = 0;
}
}
}
// Initialize the signed distance function
for (int k = 0; k < Nz; k++) {
for (int j = 0; j < Ny; j++) {
for (int i = 0; i < Nx; i++) {
// Initialize distance to +/- 1
Distance(i, j, k) = 2.0 * double(id_solid(i, j, k)) - 1.0;
}
}
}
// MeanFilter(Averages->SDs);
if (rank == 0)
printf("LB Single-Fluid Solver: initialized solid phase & converting "
"to Signed Distance function \n");
CalcDist(Distance, id_solid, *Dm);
if (rank == 0)
cout << " Domain set." << endl;
}
void ScaLBL_StokesModel::AssignZetaPotentialSolid(
double *zeta_potential_solid) {
size_t NLABELS = 0;
signed char VALUE = 0;
double AFFINITY = 0.f;
auto LabelList = stokes_db->getVector<int>("SolidLabels");
auto AffinityList = stokes_db->getVector<double>("ZetaPotentialSolidList");
NLABELS = LabelList.size();
if (NLABELS != AffinityList.size()) {
ERROR("Error: LB Single-Fluid Solver: SolidLabels and "
"ZetaPotentialSolidList must be the same length! \n");
}
double *label_count;
double *label_count_global;
label_count = new double[NLABELS];
label_count_global = new double[NLABELS];
for (size_t idx = 0; idx < NLABELS; idx++)
label_count[idx] = 0;
// Assign the labels
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++) {
if (VALUE == LabelList[idx]) {
AFFINITY = AffinityList
[idx]; //no need to convert unit for zeta potential (i.e. volt)
label_count[idx] += 1.0;
idx = NLABELS;
}
}
zeta_potential_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 Single-Fluid Solver: number of 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);
printf(
" label=%d, zeta potential=%.3g [V], volume fraction=%.2g\n",
VALUE, AFFINITY, volume_fraction);
}
}
}
void ScaLBL_StokesModel::AssignSolidGrad(double *solid_grad) {
double *Dst;
Dst = new double[3 * 3 * 3];
for (int kk = 0; kk < 3; kk++) {
for (int jj = 0; jj < 3; jj++) {
for (int ii = 0; ii < 3; ii++) {
int index = kk * 9 + jj * 3 + ii;
Dst[index] = sqrt(double(ii - 1) * double(ii - 1) +
double(jj - 1) * double(jj - 1) +
double(kk - 1) * double(kk - 1));
}
}
}
//implement a D3Q19 lattice
double w_face = 1.0 / 18.0;
double w_edge = 0.5 * w_face;
double w_corner = 0.0;
//local
Dst[13] = 0.f;
//faces
Dst[4] = w_face;
Dst[10] = w_face;
Dst[12] = w_face;
Dst[14] = w_face;
Dst[16] = w_face;
Dst[22] = w_face;
// corners
Dst[0] = w_corner;
Dst[2] = w_corner;
Dst[6] = w_corner;
Dst[8] = w_corner;
Dst[18] = w_corner;
Dst[20] = w_corner;
Dst[24] = w_corner;
Dst[26] = w_corner;
// edges
Dst[1] = w_edge;
Dst[3] = w_edge;
Dst[5] = w_edge;
Dst[7] = w_edge;
Dst[9] = w_edge;
Dst[11] = w_edge;
Dst[15] = w_edge;
Dst[17] = w_edge;
Dst[19] = w_edge;
Dst[21] = w_edge;
Dst[23] = w_edge;
Dst[25] = w_edge;
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 idx = Map(i, j, k);
if (!(idx < 0)) {
double phi_x = 0.f;
double phi_y = 0.f;
double phi_z = 0.f;
for (int kk = 0; kk < 3; kk++) {
for (int jj = 0; jj < 3; jj++) {
for (int ii = 0; ii < 3; ii++) {
int index = kk * 9 + jj * 3 + ii;
double weight = Dst[index];
int idi = i + ii - 1;
int idj = j + jj - 1;
int idk = k + kk - 1;
if (idi < 0)
idi = 0;
if (idj < 0)
idj = 0;
if (idk < 0)
idk = 0;
if (!(idi < Nx))
idi = Nx - 1;
if (!(idj < Ny))
idj = Ny - 1;
if (!(idk < Nz))
idk = Nz - 1;
int nn = idk * Nx * Ny + idj * Nx + idi;
double vec_x = double(ii - 1);
double vec_y = double(jj - 1);
double vec_z = double(kk - 1);
double GWNS = double(Mask->id[nn]);
//Since the solid unit normal vector is wanted, treat
//wet node as 0.0 and solid node as 1.0
GWNS = (GWNS > 0.0) ? 0.0 : 1.0;
phi_x += GWNS * weight * vec_x;
phi_y += GWNS * weight * vec_y;
phi_z += GWNS * weight * vec_z;
}
}
}
//solid_grad normalization
double phi_mag =
sqrt(phi_x * phi_x + phi_y * phi_y + phi_z * phi_z);
if (phi_mag == 0.0)
phi_mag = 1.0;
solid_grad[idx + 0 * Np] = phi_x / phi_mag;
solid_grad[idx + 1 * Np] = phi_y / phi_mag;
solid_grad[idx + 2 * Np] = phi_z / phi_mag;
}
}
}
}
}
void ScaLBL_StokesModel::Create() {
/*
* This function creates the variables needed to run a LBM
*/
int rank = Mask->rank();
//.........................................................
// Initialize communication structures in averaging domain
for (int i = 0; i < Nx * Ny * Nz; i++)
Dm->id[i] = Mask->id[i];
Mask->CommInit();
Np = Mask->PoreCount();
//...........................................................................
if (rank == 0)
printf("LB Single-Fluid 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<ScaLBL_Communicator>(new ScaLBL_Communicator(Mask));
int Npad = (Np / 16 + 2) * 16;
if (rank == 0)
printf("LB Single-Fluid 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(), Np, 1);
comm.barrier();
//...........................................................................
// MAIN VARIABLES ALLOCATED HERE
//...........................................................................
// LBM variables
if (rank == 0)
printf("LB Single-Fluid 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 **)&fq, 19 * dist_mem_size);
ScaLBL_AllocateDeviceMemory((void **)&Pressure, sizeof(double) * Np);
ScaLBL_AllocateDeviceMemory((void **)&Velocity, 3 * sizeof(double) * Np);
//...........................................................................
// Update GPU data structures
if (rank == 0)
printf("LB Single-Fluid Solver: Setting up device map and neighbor "
"list \n");
// copy the neighbor list
ScaLBL_CopyToDevice(NeighborList, neighborList, neighborSize);
comm.barrier();
if (UseSlippingVelBC == true) {
ScaLBL_Comm->SetupBounceBackList(Map, Mask->id.data(), Np, 1);
comm.barrier();
//For slipping velocity BC, need zeta potential and solid unit normal vector
ScaLBL_AllocateDeviceMemory((void **)&ZetaPotentialSolid,
sizeof(double) * Nx * Ny * Nz);
ScaLBL_AllocateDeviceMemory((void **)&SolidGrad,
sizeof(double) * 3 *
Np); //unit normal vector of solid nodes
double *ZetaPotentialSolid_host;
ZetaPotentialSolid_host = new double[Nx * Ny * Nz];
AssignZetaPotentialSolid(ZetaPotentialSolid_host);
double *SolidGrad_host;
SolidGrad_host = new double[3 * Np];
AssignSolidGrad(SolidGrad_host);
ScaLBL_CopyToDevice(ZetaPotentialSolid, ZetaPotentialSolid_host,
Nx * Ny * Nz * sizeof(double));
ScaLBL_CopyToDevice(SolidGrad, SolidGrad_host, 3 * Np * sizeof(double));
ScaLBL_Comm->Barrier();
delete[] ZetaPotentialSolid_host;
delete[] SolidGrad_host;
}
}
void ScaLBL_StokesModel::Initialize() {
/*
* This function initializes model
*/
if (rank == 0)
printf("LB Single-Fluid Solver: Initializing distributions \n");
if (rank == 0)
printf("***************************************************************"
"*\n");
ScaLBL_D3Q19_Init(fq, Np);
if (rank == 0)
printf("*****************************************************\n");
if (rank == 0)
printf("LB Single-Fluid Navier-Stokes Solver: \n");
if (rank == 0)
printf(" Time conversion factor: %.5g [sec/lt]\n", time_conv);
if (rank == 0)
printf(" Internal iteration: %i [lt]\n", timestepMax);
if (rank == 0)
printf("*****************************************************\n");
}
void ScaLBL_StokesModel::Run_Lite(double *ChargeDensity,
double *ElectricField) {
double rlx_setA = 1.0 / tau;
double rlx_setB = 8.f * (2.f - rlx_setA) / (8.f - rlx_setA);
timestep = 0;
while (timestep < timestepMax) {
//************************************************************************/
//**************ODD TIMESTEP*************//
timestep++;
ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL
ScaLBL_D3Q19_AAodd_StokesMRT(
NeighborList, fq, Velocity, ChargeDensity, ElectricField, rlx_setA,
rlx_setB, Fx, Fy, Fz, rho0, den_scale, h, time_conv, UseSlippingVelBC,
ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
// Set boundary conditions
if (BoundaryCondition == 3) {
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, din, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, dout, timestep);
} else if (BoundaryCondition == 4) {
din =
ScaLBL_Comm->D3Q19_Flux_BC_z(NeighborList, fq, flux, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, dout, timestep);
} else if (BoundaryCondition == 5) {
ScaLBL_Comm->D3Q19_Reflection_BC_z(fq);
ScaLBL_Comm->D3Q19_Reflection_BC_Z(fq);
}
ScaLBL_D3Q19_AAodd_StokesMRT(NeighborList, fq, Velocity, ChargeDensity,
ElectricField, rlx_setA, rlx_setB, Fx, Fy,
Fz, rho0, den_scale, h, time_conv, UseSlippingVelBC,
0, ScaLBL_Comm->LastExterior(), Np);
if (UseSlippingVelBC == true) {
ScaLBL_Comm->SolidSlippingVelocityBCD3Q19(
fq, ZetaPotentialSolid, ElectricField, SolidGrad, epsilon_LB,
1.0 / rlx_setA, rho0, den_scale, h, time_conv);
}
ScaLBL_Comm->Barrier();
comm.barrier();
//**************EVEN TIMESTEP*************//
timestep++;
ScaLBL_Comm->SendD3Q19AA(fq); //READ FORM NORMAL
ScaLBL_D3Q19_AAeven_StokesMRT(
fq, Velocity, ChargeDensity, ElectricField, rlx_setA, rlx_setB, Fx,
Fy, Fz, rho0, den_scale, h, time_conv, UseSlippingVelBC,
ScaLBL_Comm->FirstInterior(), ScaLBL_Comm->LastInterior(), Np);
ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
// Set boundary conditions
if (BoundaryCondition == 3) {
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, din, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, dout, timestep);
} else if (BoundaryCondition == 4) {
din =
ScaLBL_Comm->D3Q19_Flux_BC_z(NeighborList, fq, flux, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, dout, timestep);
} else if (BoundaryCondition == 5) {
ScaLBL_Comm->D3Q19_Reflection_BC_z(fq);
ScaLBL_Comm->D3Q19_Reflection_BC_Z(fq);
}
ScaLBL_D3Q19_AAeven_StokesMRT(fq, Velocity, ChargeDensity,
ElectricField, rlx_setA, rlx_setB, Fx, Fy,
Fz, rho0, den_scale, h, time_conv, UseSlippingVelBC,
0, ScaLBL_Comm->LastExterior(), Np);
if (UseSlippingVelBC == true) {
ScaLBL_Comm->SolidSlippingVelocityBCD3Q19(
fq, ZetaPotentialSolid, ElectricField, SolidGrad, epsilon_LB,
1.0 / rlx_setA, rho0, den_scale, h, time_conv);
}
ScaLBL_Comm->Barrier();
comm.barrier();
//************************************************************************/
}
}
void ScaLBL_StokesModel::getVelocity(DoubleArray &Vel_x, DoubleArray &Vel_y,
DoubleArray &Vel_z) {
//get velocity in physical unit [m/sec]
ScaLBL_D3Q19_Momentum(fq, Velocity, Np);
ScaLBL_Comm->Barrier();
comm.barrier();
ScaLBL_Comm->RegularLayout(Map, &Velocity[0], Vel_x);
Velocity_LB_to_Phys(Vel_x);
ScaLBL_Comm->Barrier();
comm.barrier();
ScaLBL_Comm->RegularLayout(Map, &Velocity[Np], Vel_y);
Velocity_LB_to_Phys(Vel_y);
ScaLBL_Comm->Barrier();
comm.barrier();
ScaLBL_Comm->RegularLayout(Map, &Velocity[2 * Np], Vel_z);
Velocity_LB_to_Phys(Vel_z);
ScaLBL_Comm->Barrier();
comm.barrier();
}
void ScaLBL_StokesModel::getVelocity_debug(int timestep) {
//get velocity in physical unit [m/sec]
ScaLBL_D3Q19_Momentum(fq, Velocity, Np);
ScaLBL_Comm->Barrier();
comm.barrier();
DoubleArray PhaseField(Nx, Ny, Nz);
ScaLBL_Comm->RegularLayout(Map, &Velocity[0], PhaseField);
Velocity_LB_to_Phys(PhaseField);
FILE *VELX_FILE;
sprintf(LocalRankFilename, "Velocity_X_Time_%i.%05i.raw", timestep, rank);
VELX_FILE = fopen(LocalRankFilename, "wb");
fwrite(PhaseField.data(), 8, N, VELX_FILE);
fclose(VELX_FILE);
ScaLBL_Comm->RegularLayout(Map, &Velocity[Np], PhaseField);
Velocity_LB_to_Phys(PhaseField);
FILE *VELY_FILE;
sprintf(LocalRankFilename, "Velocity_Y_Time_%i.%05i.raw", timestep, rank);
VELY_FILE = fopen(LocalRankFilename, "wb");
fwrite(PhaseField.data(), 8, N, VELY_FILE);
fclose(VELY_FILE);
ScaLBL_Comm->RegularLayout(Map, &Velocity[2 * Np], PhaseField);
Velocity_LB_to_Phys(PhaseField);
FILE *VELZ_FILE;
sprintf(LocalRankFilename, "Velocity_Z_Time_%i.%05i.raw", timestep, rank);
VELZ_FILE = fopen(LocalRankFilename, "wb");
fwrite(PhaseField.data(), 8, N, VELZ_FILE);
fclose(VELZ_FILE);
}
void ScaLBL_StokesModel::Velocity_LB_to_Phys(DoubleArray &Vel_reg) {
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)) {
Vel_reg(i, j, k) =
Vel_reg(i, j, k) * (h * 1.0e-6) / time_conv;
}
}
}
}
}
vector<double>
ScaLBL_StokesModel::computeElectricForceAvg(double *ChargeDensity,
double *ElectricField) {
double *Ex_host;
double *Ey_host;
double *Ez_host;
Ex_host = new double[Np];
Ey_host = new double[Np];
Ez_host = new double[Np];
double *rhoE_host;
rhoE_host = new double[Np];
ScaLBL_CopyToHost(Ex_host, &ElectricField[0 * Np], Np * sizeof(double));
ScaLBL_CopyToHost(Ey_host, &ElectricField[1 * Np], Np * sizeof(double));
ScaLBL_CopyToHost(Ez_host, &ElectricField[2 * Np], Np * sizeof(double));
ScaLBL_CopyToHost(rhoE_host, ChargeDensity, Np * sizeof(double));
double count_loc = 0;
double count;
double Fx_avg, Fy_avg, Fz_avg; //average electric field induced force
double Fx_loc, Fy_loc, Fz_loc;
Fx_loc = Fy_loc = Fz_loc = 0.0;
for (int idx = 0; idx < ScaLBL_Comm->LastExterior(); idx++) {
Fx_loc += rhoE_host[idx] * Ex_host[idx] * (time_conv * time_conv) /
(h * h * 1.0e-12) / den_scale;
Fy_loc += rhoE_host[idx] * Ey_host[idx] * (time_conv * time_conv) /
(h * h * 1.0e-12) / den_scale;
Fz_loc += rhoE_host[idx] * Ez_host[idx] * (time_conv * time_conv) /
(h * h * 1.0e-12) / den_scale;
count_loc += 1.0;
}
for (int idx = ScaLBL_Comm->FirstInterior();
idx < ScaLBL_Comm->LastInterior(); idx++) {
Fx_loc += rhoE_host[idx] * Ex_host[idx] * (time_conv * time_conv) /
(h * h * 1.0e-12) / den_scale;
Fy_loc += rhoE_host[idx] * Ey_host[idx] * (time_conv * time_conv) /
(h * h * 1.0e-12) / den_scale;
Fz_loc += rhoE_host[idx] * Ez_host[idx] * (time_conv * time_conv) /
(h * h * 1.0e-12) / den_scale;
count_loc += 1.0;
}
Fx_avg = Dm->Comm.sumReduce(Fx_loc);
Fy_avg = Dm->Comm.sumReduce(Fy_loc);
Fz_avg = Dm->Comm.sumReduce(Fz_loc);
count = Dm->Comm.sumReduce(count_loc);
Fx_avg /= count;
Fy_avg /= count;
Fz_avg /= count;
vector<double> F_avg{Fx_avg, Fy_avg, Fz_avg};
delete[] Ex_host;
delete[] Ey_host;
delete[] Ez_host;
delete[] rhoE_host;
return F_avg;
}
double ScaLBL_StokesModel::CalVelocityConvergence(double &flow_rate_previous,
double *ChargeDensity,
double *ElectricField) {
//-----------------------------------------------------
ScaLBL_D3Q19_Momentum(fq, Velocity, Np);
ScaLBL_Comm->Barrier();
comm.barrier();
ScaLBL_Comm->RegularLayout(Map, &Velocity[0], Velocity_x);
ScaLBL_Comm->RegularLayout(Map, &Velocity[Np], Velocity_y);
ScaLBL_Comm->RegularLayout(Map, &Velocity[2 * Np], Velocity_z);
double count_loc = 0;
double count;
double vax, vay, vaz;
double vax_loc, vay_loc, vaz_loc;
vax_loc = vay_loc = vaz_loc = 0.f;
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) {
vax_loc += Velocity_x(i, j, k);
vay_loc += Velocity_y(i, j, k);
vaz_loc += Velocity_z(i, j, k);
count_loc += 1.0;
}
}
}
}
vax = Dm->Comm.sumReduce(vax_loc);
vay = Dm->Comm.sumReduce(vay_loc);
vaz = Dm->Comm.sumReduce(vaz_loc);
count = Dm->Comm.sumReduce(count_loc);
vax /= count;
vay /= count;
vaz /= count;
vector<double> Eforce;
Eforce = computeElectricForceAvg(ChargeDensity, ElectricField);
double TFx = Fx + Eforce[0]; //TF: total body force
double TFy = Fy + Eforce[1];
double TFz = Fz + Eforce[2];
double force_mag = sqrt(TFx * TFx + TFy * TFy + TFz * TFz);
double dir_x = TFx / force_mag;
double dir_y = TFy / force_mag;
double dir_z = TFz / force_mag;
if (force_mag == 0.0) {
// default to z direction
dir_x = 0.0;
dir_y = 0.0;
dir_z = 1.0;
force_mag = 1.0;
}
double flow_rate = (vax * dir_x + vay * dir_y + vaz * dir_z);
double error = fabs(flow_rate - flow_rate_previous) / fabs(flow_rate);
flow_rate_previous = flow_rate;
//----------------------------------------------------
//for debugging
if (rank == 0) {
printf("StokesModel: error: %.5g\n", error);
}
return error;
}
void ScaLBL_StokesModel::Run() {
double rlx_setA = 1.0 / tau;
double rlx_setB = 8.f * (2.f - rlx_setA) / (8.f - rlx_setA);
Minkowski Morphology(Mask);
if (rank == 0) {
bool WriteHeader = false;
FILE *log_file = fopen("Permeability.csv", "r");
if (log_file != NULL)
fclose(log_file);
else
WriteHeader = true;
if (WriteHeader) {
log_file = fopen("Permeability.csv", "a+");
fprintf(log_file, "time Fx Fy Fz mu Vs As Js Xs vx vy vz k\n");
fclose(log_file);
}
}
ScaLBL_Comm->Barrier();
comm.barrier();
if (rank == 0)
printf("***************************************************************"
"*\n");
if (rank == 0)
printf("LB Single-Fluid Navier-Stokes Solver: timestepMax = %i\n",
timestepMax);
if (rank == 0)
printf("***************************************************************"
"*\n");
timestep = 0;
double error = 1.0;
double flow_rate_previous = 0.0;
auto t1 = std::chrono::system_clock::now();
while (timestep < timestepMax && error > tolerance) {
//************************************************************************/
timestep++;
ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL
ScaLBL_D3Q19_AAodd_MRT(NeighborList, fq, ScaLBL_Comm->FirstInterior(),
ScaLBL_Comm->LastInterior(), Np, rlx_setA,
rlx_setB, Fx, Fy, Fz);
ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
// Set boundary conditions
if (BoundaryCondition == 3) {
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, din, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, dout, timestep);
} else if (BoundaryCondition == 4) {
din =
ScaLBL_Comm->D3Q19_Flux_BC_z(NeighborList, fq, flux, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, dout, timestep);
} else if (BoundaryCondition == 5) {
ScaLBL_Comm->D3Q19_Reflection_BC_z(fq);
ScaLBL_Comm->D3Q19_Reflection_BC_Z(fq);
}
ScaLBL_D3Q19_AAodd_MRT(NeighborList, fq, 0, ScaLBL_Comm->LastExterior(),
Np, rlx_setA, rlx_setB, Fx, Fy, Fz);
ScaLBL_Comm->Barrier();
comm.barrier();
timestep++;
ScaLBL_Comm->SendD3Q19AA(fq); //READ FORM NORMAL
ScaLBL_D3Q19_AAeven_MRT(fq, ScaLBL_Comm->FirstInterior(),
ScaLBL_Comm->LastInterior(), Np, rlx_setA,
rlx_setB, Fx, Fy, Fz);
ScaLBL_Comm->RecvD3Q19AA(fq); //WRITE INTO OPPOSITE
// Set boundary conditions
if (BoundaryCondition == 3) {
ScaLBL_Comm->D3Q19_Pressure_BC_z(NeighborList, fq, din, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, dout, timestep);
} else if (BoundaryCondition == 4) {
din =
ScaLBL_Comm->D3Q19_Flux_BC_z(NeighborList, fq, flux, timestep);
ScaLBL_Comm->D3Q19_Pressure_BC_Z(NeighborList, fq, dout, timestep);
} else if (BoundaryCondition == 5) {
ScaLBL_Comm->D3Q19_Reflection_BC_z(fq);
ScaLBL_Comm->D3Q19_Reflection_BC_Z(fq);
}
ScaLBL_D3Q19_AAeven_MRT(fq, 0, ScaLBL_Comm->LastExterior(), Np,
rlx_setA, rlx_setB, Fx, Fy, Fz);
ScaLBL_Comm->Barrier();
comm.barrier();
//************************************************************************/
if (timestep % 1000 == 0) {
ScaLBL_D3Q19_Momentum(fq, Velocity, Np);
ScaLBL_Comm->Barrier();
comm.barrier();
ScaLBL_Comm->RegularLayout(Map, &Velocity[0], Velocity_x);
ScaLBL_Comm->RegularLayout(Map, &Velocity[Np], Velocity_y);
ScaLBL_Comm->RegularLayout(Map, &Velocity[2 * Np], Velocity_z);
double count_loc = 0;
double count;
double vax, vay, vaz;
double vax_loc, vay_loc, vaz_loc;
vax_loc = vay_loc = vaz_loc = 0.f;
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) {
vax_loc += Velocity_x(i, j, k);
vay_loc += Velocity_y(i, j, k);
vaz_loc += Velocity_z(i, j, k);
count_loc += 1.0;
}
}
}
}
vax = Dm->Comm.sumReduce(vax_loc);
vay = Dm->Comm.sumReduce(vay_loc);
vaz = Dm->Comm.sumReduce(vaz_loc);
count = Dm->Comm.sumReduce(count_loc);
vax /= count;
vay /= count;
vaz /= count;
double force_mag = sqrt(Fx * Fx + Fy * Fy + Fz * Fz);
double dir_x = Fx / force_mag;
double dir_y = Fy / force_mag;
double dir_z = Fz / force_mag;
if (force_mag == 0.0) {
// default to z direction
dir_x = 0.0;
dir_y = 0.0;
dir_z = 1.0;
force_mag = 1.0;
}
double flow_rate = (vax * dir_x + vay * dir_y + vaz * dir_z);
error = fabs(flow_rate - flow_rate_previous) / fabs(flow_rate);
flow_rate_previous = flow_rate;
//if (rank==0) printf("Computing Minkowski functionals \n");
Morphology.ComputeScalar(Distance, 0.f);
//Morphology.PrintAll();
double mu = (tau - 0.5) / 3.f;
double Vs = Morphology.V();
double As = Morphology.A();
double Hs = Morphology.H();
double Xs = Morphology.X();
Vs = Dm->Comm.sumReduce(Vs);
As = Dm->Comm.sumReduce(As);
Hs = Dm->Comm.sumReduce(Hs);
Xs = Dm->Comm.sumReduce(Xs);
double h = Dm->voxel_length;
double absperm =
h * h * mu * Mask->Porosity() * flow_rate / force_mag;
if (rank == 0) {
printf(" %f\n", absperm);
FILE *log_file = fopen("Permeability.csv", "a");
fprintf(log_file,
"%i %.8g %.8g %.8g %.8g %.8g %.8g %.8g %.8g %.8g %.8g "
"%.8g %.8g\n",
timestep, Fx, Fy, Fz, mu, h * h * h * Vs, h * h * As,
h * Hs, Xs, vax, vay, vaz, absperm);
fclose(log_file);
}
}
}
//************************************************************************/
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("********************************************************\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_StokesModel::VelocityField() {
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);
auto VxVar = std::make_shared<IO::Variable>();
auto VyVar = std::make_shared<IO::Variable>();
auto VzVar = std::make_shared<IO::Variable>();
auto SignDistVar = std::make_shared<IO::Variable>();
IO::initialize("", "silo", "false");
// Create the MeshDataStruct
visData.resize(1);
visData[0].meshName = "domain";
visData[0].mesh =
std::make_shared<IO::DomainMesh>(Dm->rank_info, Dm->Nx - 2, Dm->Ny - 2,
Dm->Nz - 2, Dm->Lx, Dm->Ly, Dm->Lz);
SignDistVar->name = "SignDist";
SignDistVar->type = IO::VariableType::VolumeVariable;
SignDistVar->dim = 1;
SignDistVar->data.resize(Dm->Nx - 2, Dm->Ny - 2, Dm->Nz - 2);
visData[0].vars.push_back(SignDistVar);
VxVar->name = "Velocity_x";
VxVar->type = IO::VariableType::VolumeVariable;
VxVar->dim = 1;
VxVar->data.resize(Dm->Nx - 2, Dm->Ny - 2, Dm->Nz - 2);
visData[0].vars.push_back(VxVar);
VyVar->name = "Velocity_y";
VyVar->type = IO::VariableType::VolumeVariable;
VyVar->dim = 1;
VyVar->data.resize(Dm->Nx - 2, Dm->Ny - 2, Dm->Nz - 2);
visData[0].vars.push_back(VyVar);
VzVar->name = "Velocity_z";
VzVar->type = IO::VariableType::VolumeVariable;
VzVar->dim = 1;
VzVar->data.resize(Dm->Nx - 2, Dm->Ny - 2, Dm->Nz - 2);
visData[0].vars.push_back(VzVar);
Array<double> &SignData = visData[0].vars[0]->data;
Array<double> &VelxData = visData[0].vars[1]->data;
Array<double> &VelyData = visData[0].vars[2]->data;
Array<double> &VelzData = visData[0].vars[3]->data;
ASSERT(visData[0].vars[0]->name == "SignDist");
ASSERT(visData[0].vars[1]->name == "Velocity_x");
ASSERT(visData[0].vars[2]->name == "Velocity_y");
ASSERT(visData[0].vars[3]->name == "Velocity_z");
fillData.copy(Distance, SignData);
fillData.copy(Velocity_x, VelxData);
fillData.copy(Velocity_y, VelyData);
fillData.copy(Velocity_z, VelzData);
IO::writeData(timestep, visData, Dm->Comm);
}