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Adding skeleton for electrokinetic LBM

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This commit is contained in:
James McClure
2020-08-06 15:41:40 -04:00
parent 00c30866f5
commit 5e6a9f552c
9 changed files with 1064 additions and 0 deletions
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109
common/ScaLBL.cpp
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@@ -1175,6 +1175,115 @@ void ScaLBL_Communicator::RecvGrad(double *phi, double *grad){
//...................................................................................
}
/**
*
*/
void ScaLBL_Communicator::SendD3Q7AA(double *Aq, int Component){
// NOTE: the center distribution f0 must NOT be at the start of feven, provide offset to start of f2
if (Lock==true){
ERROR("ScaLBL Error (SendD3Q19): ScaLBL_Communicator is locked -- did you forget to match Send/Recv calls?");
}
else{
Lock=true;
}
// assign tag of 19 to D3Q19 communication
sendtag = recvtag = 7;
ScaLBL_DeviceBarrier();
// Pack the distributions
//...Packing for x face(2,8,10,12,14)................................
ScaLBL_D3Q19_Pack(2,dvcSendList_x,0,sendCount_x,sendbuf_x,&Aq[Component*N],N);
MPI_Isend(sendbuf_x, sendCount_x,MPI_DOUBLE,rank_x,sendtag,MPI_COMM_SCALBL,&req1[0]);
MPI_Irecv(recvbuf_X, recvCount_X,MPI_DOUBLE,rank_X,recvtag,MPI_COMM_SCALBL,&req2[0]);
//...Packing for X face(1,7,9,11,13)................................
ScaLBL_D3Q19_Pack(1,dvcSendList_X,0,sendCount_X,sendbuf_X,&Aq[Component*N],N);
MPI_Isend(sendbuf_X, sendCount_X,MPI_DOUBLE,rank_X,sendtag,MPI_COMM_SCALBL,&req1[1]);
MPI_Irecv(recvbuf_x, recvCount_x,MPI_DOUBLE,rank_x,recvtag,MPI_COMM_SCALBL,&req2[1]);
//...Packing for y face(4,8,9,16,18).................................
ScaLBL_D3Q19_Pack(4,dvcSendList_y,0,sendCount_y,sendbuf_y,&Aq[Component*N],N);
MPI_Isend(sendbuf_y, 2*sendCount_y,MPI_DOUBLE,rank_y,sendtag,MPI_COMM_SCALBL,&req1[2]);
MPI_Irecv(recvbuf_Y, 2*recvCount_Y,MPI_DOUBLE,rank_Y,recvtag,MPI_COMM_SCALBL,&req2[2]);
//...Packing for Y face(3,7,10,15,17).................................
ScaLBL_D3Q19_Pack(3,dvcSendList_Y,0,sendCount_Y,sendbuf_Y,&Aq[Component*N],N);
ScaLBL_D3Q19_Pack(3,dvcSendList_Y,sendCount_Y,sendCount_Y,sendbuf_Y,Bq,N);
MPI_Isend(sendbuf_Y, sendCount_Y,MPI_DOUBLE,rank_Y,sendtag,MPI_COMM_SCALBL,&req1[3]);
MPI_Irecv(recvbuf_y, recvCount_y,MPI_DOUBLE,rank_y,recvtag,MPI_COMM_SCALBL,&req2[3]);
//...Packing for z face(6,12,13,16,17)................................
ScaLBL_D3Q19_Pack(6,dvcSendList_z,0,sendCount_z,sendbuf_z,&Aq[Component*N],N);
MPI_Isend(sendbuf_z, sendCount_z,MPI_DOUBLE,rank_z,sendtag,MPI_COMM_SCALBL,&req1[4]);
MPI_Irecv(recvbuf_Z, recvCount_Z,MPI_DOUBLE,rank_Z,recvtag,MPI_COMM_SCALBL,&req2[4]);
//...Packing for Z face(5,11,14,15,18)................................
ScaLBL_D3Q19_Pack(5,dvcSendList_Z,0,sendCount_Z,sendbuf_Z,&Aq[Component*N],N);
//...................................................................................
// Send all the distributions
MPI_Isend(sendbuf_Z, sendCount_Z,MPI_DOUBLE,rank_Z,sendtag,MPI_COMM_SCALBL,&req1[5]);
MPI_Irecv(recvbuf_z, recvCount_z,MPI_DOUBLE,rank_z,recvtag,MPI_COMM_SCALBL,&req2[5]);
}
void ScaLBL_Communicator::RecvD3Q7AA(double *Aq, int Component){
// NOTE: the center distribution f0 must NOT be at the start of feven, provide offset to start of f2
//...................................................................................
// Wait for completion of D3Q19 communication
MPI_Waitall(6,req1,stat1);
MPI_Waitall(6,req2,stat2);
ScaLBL_DeviceBarrier();
//...................................................................................
// NOTE: AA Routine writes to opposite
// Unpack the distributions on the device
//...................................................................................
//...Unpacking for x face(2,8,10,12,14)................................
ScaLBL_D3Q7_Unpack(2,dvcRecvDist_x,0,recvCount_x,recvbuf_x,&Aq[Component*N],N);
//...................................................................................
//...Packing for X face(1,7,9,11,13)................................
ScaLBL_D3Q7_Unpack(1,dvcRecvDist_X,0,recvCount_X,recvbuf_X,&Aq[Component*N],N);
//...................................................................................
//...Packing for y face(4,8,9,16,18).................................
ScaLBL_D3Q7_Unpack(4,dvcRecvDist_y,0,recvCount_y,recvbuf_y,&Aq[Component*N],N);
//...................................................................................
//...Packing for Y face(3,7,10,15,17).................................
ScaLBL_D3Q7_Unpack(3,dvcRecvDist_Y,0,recvCount_Y,recvbuf_Y,&Aq[Component*N],N);
//...................................................................................
if (BoundaryCondition > 0){
if (kproc != 0){
//...Packing for z face(6,12,13,16,17)................................
ScaLBL_D3Q7_Unpack(6,dvcRecvDist_z,0,recvCount_z,recvbuf_z,&Aq[Component*N],N);
}
if (kproc != nprocz-1){
//...Packing for Z face(5,11,14,15,18)................................
ScaLBL_D3Q7_Unpack(5,dvcRecvDist_Z,0,recvCount_Z,recvbuf_Z,&Aq[Component*N],N);
}
}
else {
//...Packing for z face(6,12,13,16,17)................................
ScaLBL_D3Q7_Unpack(6,dvcRecvDist_z,0,recvCount_z,recvbuf_z,&Aq[Component*N],N);
//...Packing for Z face(5,11,14,15,18)................................
ScaLBL_D3Q7_Unpack(5,dvcRecvDist_Z,0,recvCount_Z,recvbuf_Z,&Aq[Component*N],N);
}
//...................................................................................
Lock=false; // unlock the communicator after communications complete
//...................................................................................
}
/*
*/
void ScaLBL_Communicator::BiSendD3Q7AA(double *Aq, double *Bq){

13
common/ScaLBL.h
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@@ -72,6 +72,17 @@ extern "C" void ScaLBL_D3Q19_AAeven_Greyscale_IMRT(double *dist, int start, int
extern "C" void ScaLBL_D3Q19_AAodd_Greyscale_IMRT(int *neighborList, double *dist, int start, int finish, int Np, double rlx, double rlx_eff, double Fx, double Fy, double Fz,
double *Poros,double *Perm, double *Velocity,double Den,double *Pressure);
// ION TRANSPORT MODEL
extern "C" void ScaLBL_D3Q7_AAeven_Ion(double *dist, double *Velocity, int start, int finish, int Np, double rlx, double Fx, double Fy, double Fz);
extern "C" void ScaLBL_D3Q7_AAodd_Ion(int *neighborList, double *dist, double *Velocity, int start, int finish, int Np, double rlx, double Fx, double Fy, double Fz);
// ION TRANSPORT MODEL
extern "C" void ScaLBL_D3Q7_AAeven_Poisson(double *dist, int start, int finish, int Np, double rlx, double Fx, double Fy, double Fz);
extern "C" void ScaLBL_D3Q7_AAodd_Poisson(int *neighborList, double *dist, int start, int finish, int Np, double rlx, double Fx, double Fy, double Fz);
// MRT MODEL
extern "C" void ScaLBL_D3Q19_AAeven_MRT(double *dist, int start, int finish, int Np, double rlx_setA, double rlx_setB, double Fx,
@@ -185,6 +196,8 @@ public:
int MemoryOptimizedLayoutAA(IntArray &Map, int *neighborList, signed char *id, int Np);
void SendD3Q19AA(double *dist);
void RecvD3Q19AA(double *dist);
void SendD3Q7AA(double *fq, int Component);
void RecvD3Q7AA(double *fq, int Component)
void BiSendD3Q7AA(double *Aq, double *Bq);
void BiRecvD3Q7AA(double *Aq, double *Bq);
void TriSendD3Q7AA(double *Aq, double *Bq, double *Cq);

123
cpu/Ion.cpp Normal file
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@@ -0,0 +1,123 @@
extern "C" void ScaLBL_D3Q7_AAeven_Ion(double *dist, double *Velocity, int start, int finish, int Np, double rlx, double Fx, double Fy, double Fz){
int n;
// conserved momemnts
double rho,ux,uy,uz,uu;
// non-conserved moments
double f0,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12,f13,f14,f15,f16,f17,f18;
for (int n=start; n<finish; n++){
// q=0
f0 = dist[n];
f1 = dist[2*Np+n];
f2 = dist[1*Np+n];
f3 = dist[4*Np+n];
f4 = dist[3*Np+n];
f5 = dist[6*Np+n];
f6 = dist[5*Np+n];
rho = f0+f2+f1+f4+f3+f6;
ux = Velocity[n];
uy = Velocity[n+Np];
uz = Velocity[n+2*Np];
uu = 1.5*(ux*ux+uy*uy+uz*uz);
// q=0
dist[n] = f0*(1.0-rlx)+rlx*0.3333333333333333*(1.0-uu);
// q = 1
dist[1*Np+n] = f1*(1.0-rlx) + rlx*0.05555555555555555*(rho + 3.0*ux + 4.5*ux*ux - uu) + 0.16666666*Fx;
// q=2
dist[2*Np+n] = f2*(1.0-rlx) + rlx*0.05555555555555555*(rho - 3.0*ux + 4.5*ux*ux - uu)- 0.16666666*Fx;
// q = 3
dist[3*Np+n] = f3*(1.0-rlx) +
rlx*0.05555555555555555*(rho + 3.0*uy + 4.5*uy*uy - uu) + 0.16666666*Fy;
// q = 4
dist[4*Np+n] = f4*(1.0-rlx) +
rlx*0.05555555555555555*(rho - 3.0*uy + 4.5*uy*uy - uu)- 0.16666666*Fy;
// q = 5
dist[5*Np+n] = f5*(1.0-rlx) +
rlx*0.05555555555555555*(rho + 3.0*uz + 4.5*uz*uz - uu) + 0.16666666*Fz;
// q = 6
dist[6*Np+n] = f6*(1.0-rlx) +
rlx*0.05555555555555555*(rho - 3.0*uz + 4.5*uz*uz - uu) - 0.16666666*Fz;
//........................................................................
}
}
extern "C" void ScaLBL_D3Q7_AAodd_Ion(int *neighborList, double *dist, double *Velocity, int start, int finish, int Np, double rlx, double Fx, double Fy, double Fz){
int n;
// conserved momemnts
double rho,ux,uy,uz,uu;
// non-conserved moments
double f0,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12,f13,f14,f15,f16,f17,f18;
int nr1,nr2,nr3,nr4,nr5,nr6,nr7,nr8,nr9,nr10,nr11,nr12,nr13,nr14,nr15,nr16,nr17,nr18;
int nread;
for (int n=start; n<finish; n++){
// q=0
f0 = dist[n];
// q=1
nr1 = neighborList[n]; // neighbor 2 ( > 10Np => odd part of dist)
f1 = dist[nr1]; // reading the f1 data into register fq
nr2 = neighborList[n+Np]; // neighbor 1 ( < 10Np => even part of dist)
f2 = dist[nr2]; // reading the f2 data into register fq
// q=3
nr3 = neighborList[n+2*Np]; // neighbor 4
f3 = dist[nr3];
// q = 4
nr4 = neighborList[n+3*Np]; // neighbor 3
f4 = dist[nr4];
// q=5
nr5 = neighborList[n+4*Np];
f5 = dist[nr5];
// q = 6
nr6 = neighborList[n+5*Np];
f6 = dist[nr6];
rho = f0+f2+f1+f4+f3+f6;
ux = Velocity[n];
uy = Velocity[n+Np];
uz = Velocity[n+2*Np];
uu = 1.5*(ux*ux+uy*uy+uz*uz);
// q=0
dist[n] = f0*(1.0-rlx)+rlx*0.3333333333333333*(1.0-uu);
// q = 1
dist[nr2] = f1*(1.0-rlx) + rlx*0.05555555555555555*(rho + 3.0*ux + 4.5*ux*ux - uu) + 0.16666666*Fx;
// q=2
dist[nr1] = f2*(1.0-rlx) + rlx*0.05555555555555555*(rho - 3.0*ux + 4.5*ux*ux - uu)- 0.16666666*Fx;
// q = 3
dist[nr4] = f3*(1.0-rlx) +
rlx*0.05555555555555555*(rho + 3.0*uy + 4.5*uy*uy - uu) + 0.16666666*Fy;
// q = 4
dist[nr3] = f4*(1.0-rlx) +
rlx*0.05555555555555555*(rho - 3.0*uy + 4.5*uy*uy - uu)- 0.16666666*Fy;
// q = 5
dist[nr6] = f5*(1.0-rlx) +
rlx*0.05555555555555555*(rho + 3.0*uz + 4.5*uz*uz - uu) + 0.16666666*Fz;
// q = 6
dist[nr5] = f6*(1.0-rlx) +
rlx*0.05555555555555555*(rho - 3.0*uz + 4.5*uz*uz - uu) - 0.16666666*Fz;
}
}

123
cpu/Poisson.cpp Normal file
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@@ -0,0 +1,123 @@
extern "C" void ScaLBL_D3Q7_AAeven_Poisson(double *dist, int start, int finish, int Np, double rlx, double Fx, double Fy, double Fz){
int n;
// conserved momemnts
double rho,ux,uy,uz,uu;
// non-conserved moments
double f0,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12,f13,f14,f15,f16,f17,f18;
for (int n=start; n<finish; n++){
// q=0
f0 = dist[n];
f1 = dist[2*Np+n];
f2 = dist[1*Np+n];
f3 = dist[4*Np+n];
f4 = dist[3*Np+n];
f5 = dist[6*Np+n];
f6 = dist[5*Np+n];
rho = f0+f2+f1+f4+f3+f6+f5;
ux = f1-f2;
uy = f3-f4;
uz = f5-f6;
uu = 1.5*(ux*ux+uy*uy+uz*uz);
// q=0
dist[n] = f0*(1.0-rlx)+rlx*0.3333333333333333*(1.0-uu);
// q = 1
dist[1*Np+n] = f1*(1.0-rlx) + rlx*0.05555555555555555*(rho + 3.0*ux + 4.5*ux*ux - uu) + 0.16666666*Fx;
// q=2
dist[2*Np+n] = f2*(1.0-rlx) + rlx*0.05555555555555555*(rho - 3.0*ux + 4.5*ux*ux - uu)- 0.16666666*Fx;
// q = 3
dist[3*Np+n] = f3*(1.0-rlx) +
rlx*0.05555555555555555*(rho + 3.0*uy + 4.5*uy*uy - uu) + 0.16666666*Fy;
// q = 4
dist[4*Np+n] = f4*(1.0-rlx) +
rlx*0.05555555555555555*(rho - 3.0*uy + 4.5*uy*uy - uu)- 0.16666666*Fy;
// q = 5
dist[5*Np+n] = f5*(1.0-rlx) +
rlx*0.05555555555555555*(rho + 3.0*uz + 4.5*uz*uz - uu) + 0.16666666*Fz;
// q = 6
dist[6*Np+n] = f6*(1.0-rlx) +
rlx*0.05555555555555555*(rho - 3.0*uz + 4.5*uz*uz - uu) - 0.16666666*Fz;
//........................................................................
}
}
extern "C" void ScaLBL_D3Q7_AAodd_Poisson(int *neighborList, double *dist, int start, int finish, int Np, double rlx, double Fx, double Fy, double Fz){
int n;
// conserved momemnts
double rho,ux,uy,uz,uu;
// non-conserved moments
double f0,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12,f13,f14,f15,f16,f17,f18;
int nr1,nr2,nr3,nr4,nr5,nr6,nr7,nr8,nr9,nr10,nr11,nr12,nr13,nr14,nr15,nr16,nr17,nr18;
int nread;
for (int n=start; n<finish; n++){
// q=0
f0 = dist[n];
// q=1
nr1 = neighborList[n]; // neighbor 2 ( > 10Np => odd part of dist)
f1 = dist[nr1]; // reading the f1 data into register fq
nr2 = neighborList[n+Np]; // neighbor 1 ( < 10Np => even part of dist)
f2 = dist[nr2]; // reading the f2 data into register fq
// q=3
nr3 = neighborList[n+2*Np]; // neighbor 4
f3 = dist[nr3];
// q = 4
nr4 = neighborList[n+3*Np]; // neighbor 3
f4 = dist[nr4];
// q=5
nr5 = neighborList[n+4*Np];
f5 = dist[nr5];
// q = 6
nr6 = neighborList[n+5*Np];
f6 = dist[nr6];
rho = f0+f2+f1+f4+f3+f6+f5;
ux = f1-f2;
uy = f3-f4;
uz = f5-f6;
uu = 1.5*(ux*ux+uy*uy+uz*uz);
// q=0
dist[n] = f0*(1.0-rlx)+rlx*0.3333333333333333*(1.0-uu);
// q = 1
dist[nr2] = f1*(1.0-rlx) + rlx*0.05555555555555555*(rho + 3.0*ux + 4.5*ux*ux - uu) + 0.16666666*Fx;
// q=2
dist[nr1] = f2*(1.0-rlx) + rlx*0.05555555555555555*(rho - 3.0*ux + 4.5*ux*ux - uu)- 0.16666666*Fx;
// q = 3
dist[nr4] = f3*(1.0-rlx) +
rlx*0.05555555555555555*(rho + 3.0*uy + 4.5*uy*uy - uu) + 0.16666666*Fy;
// q = 4
dist[nr3] = f4*(1.0-rlx) +
rlx*0.05555555555555555*(rho - 3.0*uy + 4.5*uy*uy - uu)- 0.16666666*Fy;
// q = 5
dist[nr6] = f5*(1.0-rlx) +
rlx*0.05555555555555555*(rho + 3.0*uz + 4.5*uz*uz - uu) + 0.16666666*Fz;
// q = 6
dist[nr5] = f6*(1.0-rlx) +
rlx*0.05555555555555555*(rho - 3.0*uz + 4.5*uz*uz - uu) - 0.16666666*Fz;
}
}

225
models/IonModel.cpp Normal file
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@@ -0,0 +1,225 @@
/*
* Multi-relaxation time LBM Model
*/
#include "models/MRT.h"
#include "models/ElectroModel.h"
#include "analysis/distance.h"
#include "common/ReadMicroCT.h"
ScaLBL_IonModel::ScaLBL_IonModel(int RANK, int NP, MPI_Comm 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),
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_IonModel::~ScaLBL_IonModel(){
}
void ScaLBL_IonModel::ReadParams(string filename){
// read the input database
db = std::make_shared<Database>( filename );
domain_db = db->getDatabase( "Domain" );
ion_db = db->getDatabase( "Ions" );
tau = 1.0;
timestepMax = 100000;
tolerance = 1.0e-8;
Fx = Fy = 0.0;
Fz = 1.0e-5;
// Color Model parameters
if (ion_db->keyExists( "timestepMax" )){
timestepMax = mrt_db->getScalar<int>( "timestepMax" );
}
mu=(tau-0.5)/3.0;
}
void ScaLBL_IonModel::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
MPI_Barrier(comm);
Dm->CommInit();
MPI_Barrier(comm);
rank = Dm->rank();
nprocx = Dm->nprocx();
nprocy = Dm->nprocy();
nprocz = Dm->nprocz();
}
void ScaLBL_IonModel::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 );
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("Initialized solid phase -- Converting to Signed Distance function \n");
CalcDist(Distance,id_solid,*Dm);
if (rank == 0) cout << "Domain set." << endl;
}
void ScaLBL_IonModel::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 ("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 ("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,Np);
MPI_Barrier(comm);
//...........................................................................
// MAIN VARIABLES ALLOCATED HERE
//...........................................................................
// LBM variables
if (rank==0) printf ("Allocating distributions \n");
//......................device distributions.................................
int dist_mem_size = Np*sizeof(double);
int neighborSize=18*(Np*sizeof(int));
//...........................................................................
ScaLBL_AllocateDeviceMemory((void **) &NeighborList, neighborSize);
ScaLBL_AllocateDeviceMemory((void **) &fq, number_ion_species*7*dist_mem_size);
ScaLBL_AllocateDeviceMemory((void **) &Ci, number_ion_species*sizeof(double)*Np);
ScaLBL_AllocateDeviceMemory((void **) &ChargeDensity, sizeof(double)*Np);
//...........................................................................
// Update GPU data structures
if (rank==0) printf ("Setting up device map and neighbor list \n");
// copy the neighbor list
ScaLBL_CopyToDevice(NeighborList, neighborList, neighborSize);
MPI_Barrier(comm);
}
void ScaLBL_IonModel::Initialize(){
/*
* This function initializes model
*/
if (rank==0) printf ("Initializing distributions \n");
ScaLBL_D3Q19_Init(fq, Np);
}
void ScaLBL_IonModel::Run(double *Velocity){
//.......create and start timer............
double starttime,stoptime,cputime;
ScaLBL_DeviceBarrier(); MPI_Barrier(comm);
starttime = MPI_Wtime();
if (rank==0) printf("Beginning AA timesteps, timestepMax = %i \n", timestepMax);
if (rank==0) printf("********************************************************\n");
timestep=0;
double error = 1.0;
double flow_rate_previous = 0.0;
while (timestep < timestepMax && error > tolerance) {
//************************************************************************/
timestep++;
ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL
ScaLBL_D3Q7_AAodd_Ion(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
/* ... */
ScaLBL_D3Q7_AAodd_Ion(NeighborList, fq, 0, ScaLBL_Comm->LastExterior(), Np, rlx_setA, rlx_setB, Fx, Fy, Fz);
ScaLBL_DeviceBarrier(); MPI_Barrier(comm);
timestep++;
ScaLBL_Comm->SendD3Q19AA(fq); //READ FORM NORMAL
ScaLBL_D3Q7_AAeven_Ion(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
/* ... */
ScaLBL_D3Q7_AAeven_Ion(fq, 0, ScaLBL_Comm->LastExterior(), Np, rlx_setA, rlx_setB, Fx, Fy, Fz);
ScaLBL_DeviceBarrier(); MPI_Barrier(comm);
//************************************************************************/
}
//************************************************************************/
stoptime = MPI_Wtime();
if (rank==0) printf("-------------------------------------------------------------------\n");
// Compute the walltime per timestep
cputime = (stoptime - starttime)/timestep;
// Performance obtained from each node
double MLUPS = double(Np)/cputime/1000000;
if (rank==0) printf("********************************************************\n");
if (rank==0) printf("CPU time = %f \n", cputime);
if (rank==0) printf("Lattice update rate (per core)= %f MLUPS \n", MLUPS);
MLUPS *= nprocs;
if (rank==0) printf("Lattice update rate (total)= %f MLUPS \n", MLUPS);
if (rank==0) printf("********************************************************\n");
}

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/*
* Multi-relaxation time LBM Model
*/
#include <stdio.h>
#include <stdlib.h>
#include <sys/stat.h>
#include <iostream>
#include <exception>
#include <stdexcept>
#include <fstream>
#include "common/ScaLBL.h"
#include "common/Communication.h"
#include "common/MPI_Helpers.h"
#include "analysis/Minkowski.h"
#include "ProfilerApp.h"
class ScaLBL_IonModel{
public:
ScaLBL_IonModel(int RANK, int NP, MPI_Comm COMM);
~ScaLBL_IonModel();
// functions in they should be run
void ReadParams(string filename);
void ReadParams(std::shared_ptr<Database> db0);
void SetDomain();
void ReadInput();
void Create();
void Initialize();
void Run(double *Velocity);
void VelocityField();
bool Restart,pBC;
int timestep,timestepMax;
int BoundaryCondition;
double tau,mu;
double Fx,Fy,Fz,flux;
double din,dout;
double tolerance;
int number_ion_species;
int Nx,Ny,Nz,N,Np;
int rank,nprocx,nprocy,nprocz,nprocs;
double Lx,Ly,Lz;
std::shared_ptr<Domain> Dm; // this domain is for analysis
std::shared_ptr<Domain> Mask; // this domain is for lbm
std::shared_ptr<ScaLBL_Communicator> ScaLBL_Comm;
// input database
std::shared_ptr<Database> db;
std::shared_ptr<Database> domain_db;
std::shared_ptr<Database> ion_db;
IntArray Map;
DoubleArray Distance;
int *NeighborList;
double *fq;
double *Ci;
double *ChargeDensity;
private:
MPI_Comm comm;
// filenames
char LocalRankString[8];
char LocalRankFilename[40];
char LocalRestartFile[40];
//int rank,nprocs;
void LoadParams(std::shared_ptr<Database> db0);
};

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/*
* Multi-relaxation time LBM Model
*/
#include "models/MRT.h"
#include "models/ElectroModel.h"
#include "analysis/distance.h"
#include "common/ReadMicroCT.h"
ScaLBL_Poisson::ScaLBL_Poisson(int RANK, int NP, MPI_Comm 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),
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_Poisson::~ScaLBL_Poisson(){
}
void ScaLBL_Poisson::ReadParams(string filename){
// read the input database
db = std::make_shared<Database>( filename );
domain_db = db->getDatabase( "Domain" );
mrt_db = db->getDatabase( "MRT" );
electric_db = db->getDatabase( "Electrochemistry" );
tau = 1.0;
timestepMax = 100000;
tolerance = 1.0e-8;
Fx = Fy = 0.0;
Fz = 1.0e-5;
// Color Model parameters
if (mrt_db->keyExists( "timestepMax" )){
timestepMax = mrt_db->getScalar<int>( "timestepMax" );
}
if (mrt_db->keyExists( "tolerance" )){
tolerance = mrt_db->getScalar<double>( "tolerance" );
}
if (mrt_db->keyExists( "tau" )){
tau = mrt_db->getScalar<double>( "tau" );
}
if (mrt_db->keyExists( "F" )){
Fx = mrt_db->getVector<double>( "F" )[0];
Fy = mrt_db->getVector<double>( "F" )[1];
Fz = mrt_db->getVector<double>( "F" )[2];
}
if (mrt_db->keyExists( "Restart" )){
Restart = mrt_db->getScalar<bool>( "Restart" );
}
if (mrt_db->keyExists( "din" )){
din = mrt_db->getScalar<double>( "din" );
}
if (mrt_db->keyExists( "dout" )){
dout = mrt_db->getScalar<double>( "dout" );
}
if (mrt_db->keyExists( "flux" )){
flux = mrt_db->getScalar<double>( "flux" );
}
// Read domain parameters
if (domain_db->keyExists( "BC" )){
BoundaryCondition = domain_db->getScalar<int>( "BC" );
}
mu=(tau-0.5)/3.0;
}
void ScaLBL_Poisson::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
MPI_Barrier(comm);
Dm->CommInit();
MPI_Barrier(comm);
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","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 );
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("Initialized solid phase -- Converting to Signed Distance function \n");
CalcDist(Distance,id_solid,*Dm);
if (rank == 0) cout << "Domain set." << endl;
}
void ScaLBL_Poisson::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 ("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 ("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,Np);
MPI_Barrier(comm);
//...........................................................................
// MAIN VARIABLES ALLOCATED HERE
//...........................................................................
// LBM variables
if (rank==0) printf ("Allocating distributions \n");
//......................device distributions.................................
int dist_mem_size = Np*sizeof(double);
int neighborSize=18*(Np*sizeof(int));
//...........................................................................
ScaLBL_AllocateDeviceMemory((void **) &NeighborList, neighborSize);
ScaLBL_AllocateDeviceMemory((void **) &fq, 7*dist_mem_size);
ScaLBL_AllocateDeviceMemory((void **) &Psi, sizeof(double)*Np);
//...........................................................................
// Update GPU data structures
if (rank==0) printf ("Setting up device map and neighbor list \n");
// copy the neighbor list
ScaLBL_CopyToDevice(NeighborList, neighborList, neighborSize);
MPI_Barrier(comm);
}
void ScaLBL_Poisson::Initialize(){
/*
* This function initializes model
*/
if (rank==0) printf ("Initializing distributions \n");
ScaLBL_D3Q19_Init(fq, Np);
}
void ScaLBL_Poisson::Run(double *ChargeDensity){
//.......create and start timer............
double starttime,stoptime,cputime;
ScaLBL_DeviceBarrier(); MPI_Barrier(comm);
starttime = MPI_Wtime();
if (rank==0) printf("Beginning AA timesteps, timestepMax = %i \n", timestepMax);
if (rank==0) printf("********************************************************\n");
timestep=0;
double error = 1.0;
double flow_rate_previous = 0.0;
while (timestep < timestepMax && error > tolerance) {
//************************************************************************/
timestep++;
ScaLBL_Comm->SendD3Q19AA(fq); //READ FROM NORMAL
ScaLBL_D3Q7_AAodd_Poisson(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
/* ... */
ScaLBL_D3Q7_AAodd_Poisson(NeighborList, fq, 0, ScaLBL_Comm->LastExterior(), Np, rlx_setA, rlx_setB, Fx, Fy, Fz);
ScaLBL_DeviceBarrier(); MPI_Barrier(comm);
timestep++;
ScaLBL_Comm->SendD3Q19AA(fq); //READ FORM NORMAL
ScaLBL_D3Q7_AAeven_Poisson(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
/* ... */
ScaLBL_D3Q7_AAeven_Poisson(fq, 0, ScaLBL_Comm->LastExterior(), Np, rlx_setA, rlx_setB, Fx, Fy, Fz);
ScaLBL_DeviceBarrier(); MPI_Barrier(comm);
//************************************************************************/
}
//************************************************************************/
stoptime = MPI_Wtime();
if (rank==0) printf("-------------------------------------------------------------------\n");
// Compute the walltime per timestep
cputime = (stoptime - starttime)/timestep;
// Performance obtained from each node
double MLUPS = double(Np)/cputime/1000000;
if (rank==0) printf("********************************************************\n");
if (rank==0) printf("CPU time = %f \n", cputime);
if (rank==0) printf("Lattice update rate (per core)= %f MLUPS \n", MLUPS);
MLUPS *= nprocs;
if (rank==0) printf("Lattice update rate (total)= %f MLUPS \n", MLUPS);
if (rank==0) printf("********************************************************\n");
}

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/*
* Multi-relaxation time LBM Model
*/
#include <stdio.h>
#include <stdlib.h>
#include <sys/stat.h>
#include <iostream>
#include <exception>
#include <stdexcept>
#include <fstream>
#include "common/ScaLBL.h"
#include "common/Communication.h"
#include "common/MPI_Helpers.h"
#include "analysis/Minkowski.h"
#include "ProfilerApp.h"
class ScaLBL_Poisson{
public:
ScaLBL_Poisson(int RANK, int NP, MPI_Comm COMM);
~ScaLBL_Poisson();
// functions in they should be run
void ReadParams(string filename);
void ReadParams(std::shared_ptr<Database> db0);
void SetDomain();
void ReadInput();
void Create();
void Initialize();
void Run(double *ChargeDensity);
bool Restart,pBC;
int timestep,timestepMax;
int BoundaryCondition;
double tau,mu;
double Fx,Fy,Fz,flux;
double din,dout;
double tolerance;
int Nx,Ny,Nz,N,Np;
int rank,nprocx,nprocy,nprocz,nprocs;
double Lx,Ly,Lz;
std::shared_ptr<Domain> Dm; // this domain is for analysis
std::shared_ptr<Domain> Mask; // this domain is for lbm
std::shared_ptr<ScaLBL_Communicator> ScaLBL_Comm;
// input database
std::shared_ptr<Database> db;
std::shared_ptr<Database> domain_db;
std::shared_ptr<Database> electric_db;
IntArray Map;
DoubleArray Distance;
int *NeighborList;
double *fq;
double *Psi;
private:
MPI_Comm comm;
// filenames
char LocalRankString[8];
char LocalRankFilename[40];
char LocalRestartFile[40];
//int rank,nprocs;
void LoadParams(std::shared_ptr<Database> db0);
};

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#include <stdio.h>
#include <stdlib.h>
#include <sys/stat.h>
#include <iostream>
#include <exception>
#include <stdexcept>
#include <fstream>
#include "models/DFHModel.h"
#include "models/IonModel.h"
#include "models/PoissonSolver.h"
//#define WRE_SURFACES
/*
* Simulator for two-phase flow in porous media
* James E. McClure 2013-2014
*/
using namespace std;
//*************************************************************************
// Implementation of Two-Phase Immiscible LBM using CUDA
//*************************************************************************
int main(int argc, char **argv)
{
// Initialize MPI
int provided_thread_support = -1;
MPI_Init_thread(&argc,&argv,MPI_THREAD_MULTIPLE,&provided_thread_support);
MPI_Comm comm;
MPI_Comm_dup(MPI_COMM_WORLD,&comm);
int rank = comm_rank(comm);
int nprocs = comm_size(comm);
if ( rank==0 && provided_thread_support<MPI_THREAD_MULTIPLE )
std::cerr << "Warning: Failed to start MPI with necessary thread support, thread support will be disabled" << std::endl;
{ // Limit scope so variables that contain communicators will free before MPI_Finialize
if (rank == 0){
printf("********************************************************\n");
printf("Running Color LBM \n");
printf("********************************************************\n");
}
PROFILE_ENABLE(1);
//PROFILE_ENABLE_TRACE();
//PROFILE_ENABLE_MEMORY();
PROFILE_SYNCHRONIZE();
PROFILE_START("Main");
Utilities::setErrorHandlers();
auto filename = argv[1];
ScaLBL_DFHModel DFHModel(rank,nprocs,comm);
ScaLBL_IonModel IonModel(rank,nprocs,comm);
ScaLBL_Poisson PoissonSolver(rank,nprocs,comm);
DFHModel.ReadParams(filename);
DFHModel.SetDomain();
DFHModel.ReadInput();
DFHModel.Create(); // creating the model will create data structure to match the pore structure and allocate variables
DFHModel.Initialize(); // initializing the model will set initial conditions for variables
DFHModel.Run(); // Solve the N-S equations to get velocity
IonModel.Run(DFHModel.Velocity); //solve for ion transport and electric potential
IonModel.Run(DFHModel.Velocity, DFHModel.Phi); //solve for ion transport and electric potential with multiphase system
PoissonSolver.Run(IonModel.ChargeDensity);
DFHModel.WriteDebug();
PROFILE_STOP("Main");
PROFILE_SAVE("lbpm_color_simulator",1);
// ****************************************************
MPI_Barrier(comm);
} // Limit scope so variables that contain communicators will free before MPI_Finialize
MPI_Comm_free(&comm);
MPI_Finalize();
}