/* Lattice Boltzmann sample, written in C++, using the OpenLB
* library
*
* Copyright (C) 2018 Marc Haußmann, Mathias J. Krause
* E-mail contact: info@openlb.net
* The most recent release of OpenLB can be downloaded at
*
*
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public
* License along with this program; if not, write to the Free
* Software Foundation, Inc., 51 Franklin Street, Fifth Floor,
* Boston, MA 02110-1301, USA.
*/
/* poiseuille3d.cpp:
* This example examines a 3D Poseuille flow
* It illustrates the computation of error norms.
*/
#include "olb3D.h"
#include "olb3D.hh"
#include
#include
#include
#include
#include
using namespace olb;
using namespace olb::descriptors;
using namespace olb::graphics;
using namespace std;
typedef double T;
//#define MRT
#ifdef MRT
#define DESCRIPTOR ForcedMRTD3Q19Descriptor
#else
#define DESCRIPTOR D3Q19
#endif
typedef enum {forced, nonForced} FlowType;
typedef enum {bounceBack, local, interpolated, bouzidi, freeSlip, partialSlip} BoundaryType;
// Parameters for the simulation setup
FlowType flowType = forced;
BoundaryType boundaryType = bouzidi;
const T length = 2.; // length of the pie
const T diameter = 1.; // diameter of the pipe
int N = 21; // resolution of the model
const T physU = 1.; // physical velocity
const T Re = 10.; // Reynolds number
const T physRho = 1.; // physical density
const T tau = 0.8; // lattice relaxation time
const T maxPhysT = 20.; // max. simulation time in s, SI unit
const T residuum = 1e-5; // residuum for the convergence check
const T tuner = 0.97; // for partialSlip only: 0->bounceBack, 1->freeSlip
// Scaled Parameters
const T radius = diameter/2.; // radius of the pipe
const T physInterval = 0.0125*maxPhysT; // interval for the convergence check in s
// Stores geometry information in form of material numbers
void prepareGeometry( UnitConverter const& converter,
SuperGeometry3D& superGeometry )
{
OstreamManager clout(std::cout, "prepareGeometry");
clout << "Prepare Geometry ..." << std::endl;
Vector center0(-converter.getPhysDeltaX() * 0.2, radius, radius);
Vector center1(length, radius, radius);
if (flowType == forced) {
center0[0] -= 3.*converter.getPhysDeltaX();
center1[0] += 3.*converter.getPhysDeltaX();
}
IndicatorCylinder3D pipe(center0, center1, radius);
superGeometry.rename(0, 2);
superGeometry.rename(2, 1, pipe);
if (flowType == nonForced) {
Vector origin(0, radius, radius);
Vector extend = origin;
// Set material number for inflow
origin[0] = -converter.getPhysDeltaX() * 2;
extend[0] = converter.getPhysDeltaX() * 2;
IndicatorCylinder3D inflow(origin, extend, radius);
superGeometry.rename(2, 3, 1, inflow);
// Set material number for outflow
origin[0] = length - 2 * converter.getPhysDeltaX();
extend[0] = length + 2 * converter.getPhysDeltaX();
IndicatorCylinder3D outflow(extend, origin, radius);
superGeometry.rename(2, 4, 1, outflow);
}
// Removes all not needed boundary voxels outside the surface
superGeometry.clean();
// Removes all not needed boundary voxels inside the surface
superGeometry.innerClean();
superGeometry.checkForErrors();
superGeometry.print();
clout << "Prepare Geometry ... OK" << std::endl;
}
// Set up the geometry of the simulation
void prepareLattice(SuperLattice3D& sLattice,
UnitConverterconst& converter,
Dynamics& bulkDynamics,
sOnLatticeBoundaryCondition3D& onBc,
sOffLatticeBoundaryCondition3D& offBc,
SuperGeometry3D& superGeometry)
{
OstreamManager clout( std::cout,"prepareLattice" );
clout << "Prepare Lattice ..." << std::endl;
const T omega = converter.getLatticeRelaxationFrequency();
// Material=0 -->do nothing
sLattice.defineDynamics( superGeometry, 0, &instances::getNoDynamics() );
// Material=1 -->bulk dynamics
sLattice.defineDynamics( superGeometry, 1, &bulkDynamics );
Vector center0(0, radius, radius);
Vector center1(length, radius, radius);
std::vector origin = { length, radius, radius};
std::vector axis = { 1, 0, 0 };
CirclePoiseuille3D poiseuilleU(origin, axis, converter.getCharLatticeVelocity(), radius);
if (boundaryType == bounceBack) {
sLattice.defineDynamics( superGeometry, 2, &instances::getBounceBack() );
}
else if (boundaryType == freeSlip) {
sLattice.defineDynamics(superGeometry, 2, &instances::getNoDynamics());
onBc.addSlipBoundary( superGeometry, 2 );
}
else if (boundaryType == partialSlip) {
sLattice.defineDynamics(superGeometry, 2, &instances::getNoDynamics());
onBc.addPartialSlipBoundary(tuner, superGeometry, 2 );
}
else if (boundaryType == bouzidi) {
sLattice.defineDynamics(superGeometry, 2, &instances::getNoDynamics() );
center0[0] -= 0.5*converter.getPhysDeltaX();
center1[0] += 0.5*converter.getPhysDeltaX();
if (flowType == forced) {
center0[0] -= 3.*converter.getPhysDeltaX();
center1[0] += 3.*converter.getPhysDeltaX();
}
IndicatorCylinder3D pipe(center0, center1, radius);
offBc.addZeroVelocityBoundary(superGeometry, 2, pipe);
}
else {
sLattice.defineDynamics( superGeometry, 2, &bulkDynamics );
onBc.addVelocityBoundary( superGeometry, 2, omega );
}
if (flowType == nonForced) {
if (boundaryType == bouzidi) {
sLattice.defineDynamics(superGeometry, 3, &instances::getNoDynamics() );
IndicatorCylinder3D pipe(center0, center1, radius);
offBc.addVelocityBoundary(superGeometry, 3, pipe);
offBc.defineU(superGeometry,3,poiseuilleU);
}
else {
// Material=3 -->bulk dynamics
sLattice.defineDynamics( superGeometry, 3, &bulkDynamics );
onBc.addVelocityBoundary( superGeometry, 3, omega );
}
// Material=4 -->bulk dynamics
sLattice.defineDynamics( superGeometry, 4, &bulkDynamics );
onBc.addPressureBoundary( superGeometry, 4, omega );
}
if (flowType == forced) {
// Initial conditions
T D = converter.getLatticeLength(diameter);
std::vector poiseuilleForce(3, T());
poiseuilleForce[0] = 4. * converter.getLatticeViscosity() * converter.getCharLatticeVelocity() / (D * D / 4. );
AnalyticalConst3D force( poiseuilleForce );
// Initialize force
sLattice.defineField(superGeometry, 1, force);
sLattice.defineField(superGeometry, 2, force );
AnalyticalConst3D rhoF(1);
sLattice.defineRhoU(superGeometry, 1, rhoF, poiseuilleU);
sLattice.iniEquilibrium(superGeometry, 1, rhoF, poiseuilleU);
sLattice.defineRhoU(superGeometry, 2, rhoF, poiseuilleU);
sLattice.iniEquilibrium(superGeometry, 2, rhoF, poiseuilleU);
}
else {
// Initial conditions
T p0 = 4. * converter.getPhysViscosity() * converter.getCharPhysVelocity() * length / (radius * radius);
p0 = converter.getLatticePressure(p0);
AnalyticalLinear3D rho(-p0 / length * descriptors::invCs2(), 0, 0, p0 * descriptors::invCs2() + 1);
std::vector velocity(3, T());
AnalyticalConst3D uF(velocity);
// Initialize all values of distribution functions to their local equilibrium
sLattice.defineRhoU(superGeometry, 0, rho, uF);
sLattice.iniEquilibrium(superGeometry, 0, rho, uF);
sLattice.defineRhoU(superGeometry, 1, rho, poiseuilleU);
sLattice.iniEquilibrium(superGeometry, 1, rho, poiseuilleU);
sLattice.defineRhoU(superGeometry, 2, rho, poiseuilleU);
sLattice.iniEquilibrium(superGeometry, 2, rho, poiseuilleU);
sLattice.defineRhoU(superGeometry, 3, rho, poiseuilleU);
sLattice.iniEquilibrium(superGeometry, 3, rho, poiseuilleU);
sLattice.defineRhoU(superGeometry, 4, rho, poiseuilleU);
sLattice.iniEquilibrium(superGeometry, 4, rho, poiseuilleU);
}
// Make the lattice ready for simulation
sLattice.initialize();
clout << "Prepare Lattice ... OK" << std::endl;
}
// Compute error norms
void error( SuperGeometry3D& superGeometry,
SuperLattice3D& sLattice,
UnitConverter const& converter,
Dynamics& bulkDynamics,
SuperLatticePhysWallShearStress3D& wss)
{
OstreamManager clout( std::cout,"error" );
int tmp[]= { };
T result[2]= { };
// velocity error
const T maxVelocity = converter.getCharPhysVelocity();
std::vector axisPoint = {length, radius, radius};
std::vector axisDirection = { 1, 0, 0 };
CirclePoiseuille3D uSol(axisPoint, axisDirection, maxVelocity, radius);
SuperLatticePhysVelocity3D u( sLattice,converter );
auto indicatorF = superGeometry.getMaterialIndicator(1);
SuperAbsoluteErrorL1Norm3D absVelocityErrorNormL1(u, uSol, indicatorF);
absVelocityErrorNormL1(result, tmp);
clout << "velocity-L1-error(abs)=" << result[0];
SuperRelativeErrorL1Norm3D relVelocityErrorNormL1(u, uSol, indicatorF);
relVelocityErrorNormL1(result, tmp);
clout << "; velocity-L1-error(rel)=" << result[0] << std::endl;
SuperAbsoluteErrorL2Norm3D absVelocityErrorNormL2(u, uSol, indicatorF);
absVelocityErrorNormL2(result, tmp);
clout << "velocity-L2-error(abs)=" << result[0];
SuperRelativeErrorL2Norm3D relVelocityErrorNormL2(u, uSol, indicatorF);
relVelocityErrorNormL2(result, tmp);
clout << "; velocity-L2-error(rel)=" << result[0] << std::endl;
SuperAbsoluteErrorLinfNorm3D absVelocityErrorNormLinf(u, uSol, indicatorF);
absVelocityErrorNormLinf(result, tmp);
clout << "velocity-Linf-error(abs)=" << result[0];
SuperRelativeErrorLinfNorm3D relVelocityErrorNormLinf(u, uSol, indicatorF);
relVelocityErrorNormLinf(result, tmp);
clout << "; velocity-Linf-error(rel)=" << result[0] << std::endl;
// strainRate error
CirclePoiseuilleStrainRate3D sSol( converter, radius );
SuperLatticePhysStrainRate3D s( sLattice,converter );
SuperAbsoluteErrorL1Norm3D absStrainRateErrorNormL1(s, sSol, indicatorF);
absStrainRateErrorNormL1(result, tmp);
clout << "strainRate-L1-error(abs)=" << result[0];
SuperRelativeErrorL1Norm3D relStrainRateErrorNormL1(s, sSol, indicatorF);
relStrainRateErrorNormL1(result, tmp);
clout << "; strainRate-L1-error(rel)=" << result[0] << std::endl;
SuperAbsoluteErrorL2Norm3D absStrainRateErrorNormL2(s, sSol, indicatorF);
absStrainRateErrorNormL2(result, tmp);
clout << "strainRate-L2-error(abs)=" << result[0];
SuperRelativeErrorL2Norm3D relStrainRateErrorNormL2(s, sSol, indicatorF);
relStrainRateErrorNormL2(result, tmp);
clout << "; strainRate-L2-error(rel)=" << result[0] << std::endl;
SuperAbsoluteErrorLinfNorm3D absStrainRateErrorNormLinf(s, sSol, indicatorF);
absStrainRateErrorNormLinf(result, tmp);
clout << "strainRate-Linf-error(abs)=" << result[0];
SuperRelativeErrorLinfNorm3D relStrainRateErrorNormLinf(s, sSol, indicatorF);
relStrainRateErrorNormLinf(result, tmp);
clout << "; strainRate-Linf-error(rel)=" << result[0] << std::endl;
// wallShearStress error
AnalyticalConst3D wssSol(4. * converter.getPhysViscosity() * converter.getPhysDensity() * maxVelocity / diameter);
SuperLatticeFfromAnalyticalF3D wssSolLattice (wssSol, sLattice);
auto indicatorB = superGeometry.getMaterialIndicator(2);
SuperAbsoluteErrorL1Norm3D absWallShearStressErrorNormL1(wss, wssSol, indicatorB);
absWallShearStressErrorNormL1(result, tmp);
clout << "wss-L1-error(abs)=" << result[0];
SuperRelativeErrorL1Norm3D relWallShearStressErrorNormL1(wss, wssSol, indicatorB);
relWallShearStressErrorNormL1(result, tmp);
clout << "; wss-L1-error(rel)=" << result[0] << std::endl;
SuperAbsoluteErrorL2Norm3D absWallShearStressErrorNormL2(wss, wssSol, indicatorB);
absWallShearStressErrorNormL2(result, tmp);
clout << "wss-L2-error(abs)=" << result[0];
SuperRelativeErrorL2Norm3D relWallShearStressErrorNormL2(wss, wssSol, indicatorB);
relWallShearStressErrorNormL2(result, tmp);
clout << "; wss-L2-error(rel)=" << result[0] << std::endl;
SuperAbsoluteErrorLinfNorm3D absWallShearStressErrorNormLinf(wss, wssSol, indicatorB);
absWallShearStressErrorNormLinf(result, tmp);
clout << "wss-Linf-error(abs)=" << result[0];
SuperRelativeErrorLinfNorm3D relWallShearStressErrorNormLinf(wss, wssSol, indicatorB);
relWallShearStressErrorNormLinf(result, tmp);
clout << "; wss-Linf-error(rel)=" << result[0] << std::endl;
if (flowType == nonForced) {
// pressure error
T p0 = 4. * converter.getPhysViscosity() * maxVelocity * length / (radius * radius);
AnalyticalLinear3D pressureSol(-p0 / length, 0, 0, p0);
SuperLatticePhysPressure3D pressure(sLattice, converter);
SuperAbsoluteErrorL1Norm3D absPressureErrorNormL1(pressure, pressureSol, indicatorF);
absPressureErrorNormL1(result, tmp);
clout << "pressure-L1-error(abs)=" << result[0];
SuperRelativeErrorL1Norm3D relPressureErrorNormL1(pressure, pressureSol, indicatorF);
relPressureErrorNormL1(result, tmp);
clout << "; pressure-L1-error(rel)=" << result[0] << std::endl;
SuperAbsoluteErrorL2Norm3D absPressureErrorNormL2(pressure, pressureSol, indicatorF);
absPressureErrorNormL2(result, tmp);
clout << "pressure-L2-error(abs)=" << result[0];
SuperRelativeErrorL2Norm3D relPressureErrorNormL2(pressure, pressureSol, indicatorF);
relPressureErrorNormL2(result, tmp);
clout << "; pressure-L2-error(rel)=" << result[0] << std::endl;
SuperAbsoluteErrorLinfNorm3D absPressureErrorNormLinf(pressure, pressureSol, indicatorF);
absPressureErrorNormLinf(result, tmp);
clout << "pressure-Linf-error(abs)=" << result[0];
SuperRelativeErrorLinfNorm3D relPressureErrorNormLinf(pressure, pressureSol, indicatorF);
relPressureErrorNormLinf(result, tmp);
clout << "; pressure-Linf-error(rel)=" << result[0] << std::endl;
}
}
// Output to console and files
void getResults( SuperLattice3D& sLattice, Dynamics& bulkDynamics,
UnitConverter const& converter, int iT,
SuperGeometry3D& superGeometry, Timer& timer, bool hasConverged,
SuperLatticePhysWallShearStress3D& wss)
{
OstreamManager clout( std::cout,"getResults" );
SuperVTMwriter3D vtmWriter( "poiseuille3d" );
SuperLatticePhysVelocity3D velocity( sLattice, converter );
SuperLatticePhysPressure3D pressure( sLattice, converter );
vtmWriter.addFunctor( velocity );
vtmWriter.addFunctor( pressure );
vtmWriter.addFunctor( wss );
const int vtmIter = converter.getLatticeTime( maxPhysT/20. );
const int statIter = converter.getLatticeTime( maxPhysT/20. );
if ( iT==0 ) {
// Writes the geometry, cuboid no. and rank no. as vti file for visualization
SuperLatticeGeometry3D geometry( sLattice, superGeometry );
SuperLatticeCuboid3D cuboid( sLattice );
SuperLatticeRank3D rank( sLattice );
vtmWriter.write( geometry );
vtmWriter.write( cuboid );
vtmWriter.write( rank );
vtmWriter.createMasterFile();
}
// Writes the vtm files and profile text file
if ( iT%vtmIter==0 || hasConverged ) {
vtmWriter.write( iT );
SuperEuklidNorm3D normVel( velocity );
BlockReduction3D2D planeReduction( normVel, {0,0,1}, 600, BlockDataSyncMode::ReduceOnly );
// write output as JPEG
heatmap::write(planeReduction, iT);
}
if ( hasConverged ) {
Gnuplot gplot( "centerVelocity" );
T D = converter.getLatticeLength( diameter );
for ( int iY=0; iY<=D; ++iY ) {
T dx = 1. / T(converter.getResolution());
T point[3]= {T(),T(),T()};
point[0] = length/2.;
point[1] = ( T )converter.getPhysLength(iY);
point[2] = ( T )radius;
const T maxVelocity = converter.getCharPhysVelocity();
std::vector axisPoint = {length, radius, radius};
std::vector axisDirection = { 1, 0, 0 };
CirclePoiseuille3D uSol(axisPoint, axisDirection, maxVelocity, radius);
T analytical[3] = {T(),T(),T()};
uSol( analytical,point );
SuperLatticePhysVelocity3D velocity( sLattice, converter );
AnalyticalFfromSuperF3D intpolateVelocity( velocity, true, 1 );
T numerical[3] = {T(),T(),T()};
intpolateVelocity( numerical,point );
gplot.setData( iY*dx, {analytical[0],numerical[0]}, {"analytical","numerical"} );
}
// Create PNG file
gplot.writePNG();
}
// Writes output on the console
if ( iT%statIter==0 || hasConverged ) {
// Timer console output
timer.update( iT );
timer.printStep();
// Lattice statistics console output
sLattice.getStatistics().print( iT,converter.getPhysTime( iT ) );
// Error norms
error( superGeometry, sLattice, converter, bulkDynamics, wss );
}
}
int main( int argc, char* argv[] )
{
// === 1st Step: Initialization ===
olbInit( &argc, &argv );
singleton::directories().setOutputDir( "./tmp/" );
OstreamManager clout( std::cout,"main" );
if (argc > 1) {
if (argv[1][0]=='-'&&argv[1][1]=='h') {
OstreamManager clout( std::cout,"help" );
clout<<"Usage: program [Resolution] [FlowType] [BoundaryType]"< 1) {
N = atoi(argv[1]);
if (N < 1) {
std::cerr << "Fluid domain is too small" << std::endl;
return 1;
}
}
if (argc > 2) {
int flowTypeNumber = atoi(argv[2]);
if (flowTypeNumber < 0 || flowTypeNumber > (int)nonForced) {
std::cerr << "Unknown fluid flow type" << std::endl;
return 2;
}
flowType = (FlowType) flowTypeNumber;
}
if (argc > 3) {
int boundaryTypeNumber = atoi(argv[3]);
if (boundaryTypeNumber < 0 || boundaryTypeNumber > (int) partialSlip) {
std::cerr << "Unknown boundary type" << std::endl;
return 3;
}
boundaryType = (BoundaryType) boundaryTypeNumber;
}
UnitConverterFromResolutionAndRelaxationTime const converter(
int {N}, // resolution: number of voxels per charPhysL
(T) tau, // latticeRelaxationTime: relaxation time, have to be greater than 0.5!
(T) diameter, // charPhysLength: reference length of simulation geometry
(T) physU, // charPhysVelocity: maximal/highest expected velocity during simulation in __m / s__
(T) diameter*physU/Re, // physViscosity: physical kinematic viscosity in __m^2 / s__
(T) physRho // physDensity: physical density in __kg / m^3__
);
// Prints the converter log as console output
converter.print();
// Writes the converter log in a file
converter.write("poiseuille3d");
// === 2nd Step: Prepare Geometry ===
Vector center0(0, radius, radius);
Vector center1(length, radius, radius);
IndicatorCylinder3D pipe(center0, center1, radius);
IndicatorLayer3D extendedDomain(pipe, converter.getPhysDeltaX());
// Instantiation of a cuboidGeometry with weights
#ifdef PARALLEL_MODE_MPI
const int noOfCuboids = 2*singleton::mpi().getSize();
#else // ifdef PARALLEL_MODE_MPI
const int noOfCuboids = 6;
#endif // ifdef PARALLEL_MODE_MPI
CuboidGeometry3D cuboidGeometry(extendedDomain, converter.getPhysDeltaX(), noOfCuboids);
if (flowType == forced) {
// Periodic boundaries in x-direction
cuboidGeometry.setPeriodicity( true, false, false );
}
// Instantiation of a loadBalancer
HeuristicLoadBalancer loadBalancer(cuboidGeometry);
// Instantiation of a superGeometry
SuperGeometry3D superGeometry(cuboidGeometry, loadBalancer, 2);
prepareGeometry(converter, superGeometry);
// === 3rd Step: Prepare Lattice ===
SuperLattice3D sLattice( superGeometry );
std::unique_ptr> bulkDynamics;
#if defined(MRT)
if (flowType == forced) {
bulkDynamics.reset(new ForcedMRTdynamics( converter.getLatticeRelaxationFrequency(), instances::getBulkMomenta() ));
}
else {
bulkDynamics.reset(new MRTdynamics( converter.getLatticeRelaxationFrequency(), instances::getBulkMomenta() ));
}
#else
if (flowType == forced) {
bulkDynamics.reset(new ForcedBGKdynamics( converter.getLatticeRelaxationFrequency(), instances::getBulkMomenta() ));
}
else {
bulkDynamics.reset(new BGKdynamics( converter.getLatticeRelaxationFrequency(), instances::getBulkMomenta() ));
}
#endif
// choose between local and non-local boundary condition
sOnLatticeBoundaryCondition3D sOnBoundaryCondition( sLattice );
sOffLatticeBoundaryCondition3D sOffBoundaryCondition(sLattice);
createBouzidiBoundaryCondition3D(sOffBoundaryCondition);
if (boundaryType == local) {
createLocalBoundaryCondition3D (sOnBoundaryCondition);
}
else {
createInterpBoundaryCondition3D ( sOnBoundaryCondition );
}
prepareLattice(sLattice, converter, *bulkDynamics, sOnBoundaryCondition, sOffBoundaryCondition, superGeometry);
// set up size-increased indicator and instantiate wall shear stress functor (wss)
Vector center0Extended(-converter.getPhysDeltaX() * 0.2, radius, radius);
Vector center1Extended(length, radius, radius);
if (flowType == forced) {
center0Extended[0] -= 4.*converter.getPhysDeltaX();
center1Extended[0] += 4.*converter.getPhysDeltaX();
}
IndicatorCylinder3D pipeExtended(center0Extended, center1Extended, radius);
IndicatorLayer3D indicatorExtended (pipeExtended, 0.9*converter.getConversionFactorLength()*N/11.);
SuperLatticePhysWallShearStress3D wss(sLattice, superGeometry, 2, converter, indicatorExtended);
// === 4th Step: Main Loop with Timer ===
clout << "starting simulation..." << endl;
Timer timer( converter.getLatticeTime( maxPhysT ), superGeometry.getStatistics().getNvoxel() );
util::ValueTracer converge( converter.getLatticeTime( physInterval ), residuum );
timer.start();
for ( int iT = 0; iT < converter.getLatticeTime( maxPhysT ); ++iT ) {
if ( converge.hasConverged() ) {
clout << "Simulation converged." << endl;
getResults( sLattice, *bulkDynamics, converter, iT, superGeometry, timer, converge.hasConverged(), wss );
break;
}
// === 5th Step: Definition of Initial and Boundary Conditions ===
// in this application no boundary conditions have to be adjusted
// === 6th Step: Collide and Stream Execution ===
sLattice.collideAndStream();
// === 7th Step: Computation and Output of the Results ===
getResults( sLattice, *bulkDynamics, converter, iT, superGeometry, timer, converge.hasConverged(), wss );
converge.takeValue( sLattice.getStatistics().getAverageEnergy(), true );
}
timer.stop();
timer.printSummary();
}