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Commit fb1bf2c5 authored by BRAMAS Berenger's avatar BRAMAS Berenger
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Use the binary loarder and remove little bug in the compaaison with direct periodic

parent f1ed0847
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Showing with 46 additions and 35 deletions
Tests/Kernels/testSphericalEwalAlgorithm.cpp
View file @ fb1bf2c5
......@@ -70,7 +70,8 @@ int main(int argc, char ** argv){
// -----------------------------------------------------
std::cout << "Opening : " << filename << "\n";
FEwalLoader<ParticleClass> loader(filename);
//FEwalLoader<ParticleClass> loader(filename);
FEwalBinLoader<ParticleClass> loader(filename);
if(!loader.isOpen()){
std::cout << "Loader Error, " << filename << " is missing\n";
return 1;
......@@ -130,16 +131,21 @@ int main(int argc, char ** argv){
std::cout << "Done " << "(@Algorithm = " << counter.elapsed() << "s)." << std::endl;
// -----------------------------------------------------
ParticleClass* particlesDirect = 0;
// Do direct
if(FParameters::existParameter(argc, argv, "-direct")){
printf("Compute direct:\n");
FMath::FAccurater fx, fy, fz;
printf("Box [%d;%d][%d;%d][%d;%d]\n", min.getX(), max.getX(), min.getY(),
max.getY(), min.getZ(), max.getZ());
KernelClass kernels( DevP, NbLevels, loader.getBoxWidth(), loader.getCenterOfBox());
FReal potential = 0.0;
particlesDirect = new ParticleClass[loader.getNumberOfParticles()];
FReal dpotential = 0.0;
FMath::FAccurater dfx, dfy, dfz;
for(int idxTarget = 0 ; idxTarget < loader.getNumberOfParticles() ; ++idxTarget){
ParticleClass part = particles[idxTarget];
......@@ -163,43 +169,33 @@ int main(int argc, char ** argv){
for(int idxSource = 0 ; idxSource < loader.getNumberOfParticles() ; ++idxSource){
ParticleClass source = particles[idxSource];
source.incPosition(offset.getX(),offset.getY(),offset.getZ());
kernels.directInteraction(&particles[idxTarget], source);
kernels.directInteraction(&part, source);
}
}
}
}
fx.add(particles[idxTarget].getForces().getX(),-part.getForces().getX()*coeff_MD1);
fy.add(particles[idxTarget].getForces().getY(),-part.getForces().getY()*coeff_MD1);
fz.add(particles[idxTarget].getForces().getZ(),-part.getForces().getZ()*coeff_MD1);
dfx.add(particles[idxTarget].getForces().getX(),-part.getForces().getX()*coeff_MD1);
dfy.add(particles[idxTarget].getForces().getY(),-part.getForces().getY()*coeff_MD1);
dfz.add(particles[idxTarget].getForces().getZ(),-part.getForces().getZ()*coeff_MD1);
potential += part.getPotential() * part.getPhysicalValue();
dpotential += part.getPotential() * part.getPhysicalValue();
// print result
if(FParameters::existParameter(argc, argv, "-verbose")){
std::cout << ">> index " << part.getIndex() << " type " << part.getType() << std::endl;
std::cout << "Good x " << particles[idxTarget].getPosition().getX() << " y " << particles[idxTarget].getPosition().getY() << " z " << particles[idxTarget].getPosition().getZ() << std::endl;
std::cout << "DIRECT x " << part.getPosition().getX() << " y " << part.getPosition().getY() << " z " << part.getPosition().getZ() << std::endl;
std::cout << "Good fx " <<particles[idxTarget].getForces().getX() << " fy " << particles[idxTarget].getForces().getY() << " fz " << particles[idxTarget].getForces().getZ() << std::endl;
std::cout << "DIRECT fx " << part.getForces().getX()*coeff_MD1 << " fy " << part.getForces().getY()*coeff_MD1 << " fz " << part.getForces().getZ()*coeff_MD1 << std::endl;
std::cout << "GOOD physical value " << particles[idxTarget].getPhysicalValue() << " potential " << particles[idxTarget].getPotential() << std::endl;
std::cout << "DIRECT physical value " << part.getPhysicalValue() << " potential " << part.getPotential() << std::endl;
std::cout << "\n";
}
particlesDirect[idxTarget] = part;
}
printf("Difference between direct and poly:\n");
printf("Fx diff is = \n");
printf("%e\n",fx.getL2Norm());
printf("%e\n",fx.getInfNorm());
printf("%e\n",dfx.getL2Norm());
printf("%e\n",dfx.getInfNorm());
printf("Fy diff is = \n");
printf("%e\n",fy.getL2Norm());
printf("%e\n",fy.getInfNorm());
printf("%e\n",dfy.getL2Norm());
printf("%e\n",dfy.getInfNorm());
printf("Fz diff is = \n");
printf("%e\n",fz.getL2Norm());
printf("%e\n",fz.getInfNorm());
printf("Direct Potential= %e\n",potential*coeff_MD/2);
printf("%e\n",dfz.getL2Norm());
printf("%e\n",dfz.getInfNorm());
printf("Direct Potential= %e\n",dpotential*coeff_MD/2);
}
// -----------------------------------------------------
......@@ -216,24 +212,37 @@ int main(int argc, char ** argv){
const ParticleClass& part = particles[iter.data().getIndex()];
// Check values ------------------------------------------------------------
potential += iter.data().getPotential() * iter.data().getPhysicalValue();
potentialDiff.add(part.getPotential(),-iter.data().getPotential());
fx.add(part.getForces().getX(),-iter.data().getForces().getX()*coeff_MD1);
fy.add(part.getForces().getY(),-iter.data().getForces().getY()*coeff_MD1);
fz.add(part.getForces().getZ(),-iter.data().getForces().getZ()*coeff_MD1);
if(FParameters::existParameter(argc, argv, "-verbose")){
std::cout << ">> index " << iter.data().getIndex() << " type " << iter.data().getType() << std::endl;
std::cout << ">> index " << iter.data().getIndexInFile() << std::endl;
std::cout << "Good x " << part.getPosition().getX() << " y " << part.getPosition().getY() << " z " << part.getPosition().getZ() << std::endl;
std::cout << "FMM x " << iter.data().getPosition().getX() << " y " << iter.data().getPosition().getY() << " z " << iter.data().getPosition().getZ() << std::endl;
std::cout << "Good fx " <<part.getForces().getX() << " fy " << part.getForces().getY() << " fz " << part.getForces().getZ() << std::endl;
std::cout << "FMM fx " << iter.data().getForces().getX()*coeff_MD1 << " fy " << iter.data().getForces().getY()*coeff_MD1 << " fz " << iter.data().getForces().getZ()*coeff_MD1 << std::endl;
std::cout << "GOOD physical value " << part.getPhysicalValue() << " potential " << part.getPotential() << std::endl;
std::cout << "FMM physical value " << iter.data().getPhysicalValue() << " potential " << iter.data().getPotential() << std::endl;
std::cout << "\n";
}
potential += iter.data().getPotential() * iter.data().getPhysicalValue();
// print result
if(FParameters::existParameter(argc, argv, "-verbose")
&& FParameters::existParameter(argc, argv, "-direct")){
const int idxTarget = iter.data().getIndex();
std::cout << ">> index in array " << idxTarget << std::endl;
std::cout << "Direct x " << particlesDirect[idxTarget].getPosition().getX() << " y " << particlesDirect[idxTarget].getPosition().getY() << " z " << particles[idxTarget].getPosition().getZ() << std::endl;
std::cout << "Direct fx " << particlesDirect[idxTarget].getForces().getX()*coeff_MD1 << " fy " << particlesDirect[idxTarget].getForces().getY()*coeff_MD1 << " fz " << particlesDirect[idxTarget].getForces().getZ()*coeff_MD1 << std::endl;
std::cout << "Direct physical value " << particlesDirect[idxTarget].getPhysicalValue() << " potential " << particlesDirect[idxTarget].getPotential() << std::endl;
}
std::cout << "\n";
}
potentialDiff.add(part.getPotential(),-iter.data().getPotential());
fx.add(part.getForces().getX(),-iter.data().getForces().getX()*coeff_MD1);
fy.add(part.getForces().getY(),-iter.data().getForces().getY()*coeff_MD1);
fz.add(part.getForces().getZ(),-iter.data().getForces().getZ()*coeff_MD1);
// Progress ------------------------------------------------------------------
iter.gotoNext();
}
......@@ -285,6 +294,7 @@ int main(int argc, char ** argv){
std::cout << "Foces Sum x = " << forces.getX() << " y = " << forces.getY() << " z = " << forces.getZ() << std::endl;
std::cout << "Potential = " << std::setprecision(8) << potential*coeff_MD/2 << std::endl;
std::cout << "Energy from file = " << std::setprecision(8) << loader.getEnergy() << std::endl;
// std::cout << "Constante DL_POLY: " << coeff_MD << std::endl;
}
// -----------------------------------------------------
......@@ -324,6 +334,7 @@ int main(int argc, char ** argv){
// -----------------------------------------------------
delete[] particles;
delete[] particlesDirect;
return 0;
}
......
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