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Small change in the HMC interface.

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Example of multiple levels in the WilsonFermion hmc test.

Merge remote-tracking branch 'upstream/master'

Conflicts:
	lib/qcd/hmc/HMC.h
	lib/qcd/hmc/integrators/Integrator.h
	lib/qcd/hmc/integrators/Integrator_algorithm.h
	tests/Test_simd.cc
This commit is contained in:
neo
2015-07-30 17:16:04 +09:00
parent d01310383f cc4ca48d13
commit c2aff0ccd4
100 changed files with 16360 additions and 1284 deletions
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7
lib/qcd/hmc/HMC.cc
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@@ -7,8 +7,8 @@ namespace Grid{
// FIXME fill this constructor now just default values
////////////////////////////// Default values
Nsweeps = 100;
TotalSweeps = 20;
Nsweeps = 200;
TotalSweeps = 220;
ThermalizationSteps = 20;
StartingConfig = 0;
SaveInterval = 1;
@@ -17,8 +17,5 @@ namespace Grid{
}
}
}

58
lib/qcd/hmc/HMC.h
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@@ -3,7 +3,7 @@
* @brief Classes for Hybrid Monte Carlo update
*
* @author Guido Cossu
* Time-stamp: <2015-07-07 14:58:13 neo>
* Time-stamp: <2015-07-30 16:58:26 neo>
*/
//--------------------------------------------------------------------
#ifndef HMC_INCLUDED
@@ -28,75 +28,89 @@ namespace Grid{
template <class Algorithm>
class HybridMonteCarlo{
const HMCparameters Params;
GridSerialRNG sRNG;
GridSerialRNG sRNG; // Fixme: need a RNG management strategy.
Integrator<Algorithm>& MD;
/////////////////////////////////////////////////////////
// Metropolis step
/////////////////////////////////////////////////////////
bool metropolis_test(const RealD DeltaH){
RealD rn_test;
RealD prob = std::exp(-DeltaH);
random(sRNG,rn_test);
std::cout<< "--------------------------------------------\n";
std::cout<< "dH = "<<DeltaH << " Random = "<< rn_test
<< "\nAcc. Probability = " << ((prob<1.0)? prob: 1.0)<< " ";
std::cout<<GridLogMessage<< "--------------------------------------------\n";
std::cout<<GridLogMessage<< "dH = "<<DeltaH << " Random = "<< rn_test <<"\n";
std::cout<<GridLogMessage<< "Acc. Probability = " << ((prob<1.0)? prob: 1.0)<< " ";
if((prob >1.0) || (rn_test <= prob)){ // accepted
std::cout <<"-- ACCEPTED\n";
std::cout<<GridLogMessage <<"-- ACCEPTED\n";
return true;
} else { // rejected
std::cout <<"-- REJECTED\n";
std::cout<<GridLogMessage <<"-- REJECTED\n";
return false;
}
}
/////////////////////////////////////////////////////////
// Evolution
/////////////////////////////////////////////////////////
RealD evolve_step(LatticeGaugeField& U){
MD.init(U); // set U and initialize P and phi's
RealD H0 = MD.S(U); // initial state action
std::cout<<"Total H before = "<< H0 << "\n";
std::cout<<GridLogMessage<<"Total H before = "<< H0 << "\n";
MD.integrate(U);
RealD H1 = MD.S(U); // updated state action
std::cout<<"Total H after = "<< H1 << "\n";
std::cout<<GridLogMessage<<"Total H after = "<< H1 << "\n";
return (H1-H0);
}
public:
HybridMonteCarlo(HMCparameters Pms,
Integrator<Algorithm>& MolDyn):
Params(Pms),MD(MolDyn){
//FIXME
// initialize RNGs also with seed
/////////////////////////////////////////
// Constructor
/////////////////////////////////////////
HybridMonteCarlo(HMCparameters Pms, Integrator<Algorithm>& MolDyn): Params(Pms),MD(MolDyn) {
//FIXME... initialize RNGs also with seed ; RNG management strategy
sRNG.SeedRandomDevice();
}
~HybridMonteCarlo(){};
void evolve(LatticeGaugeField& Uin){
Real DeltaH;
// Thermalizations
for(int iter=1; iter <= Params.ThermalizationSteps; ++iter){
std::cout << "-- # Thermalization step = "<< iter << "\n";
std::cout<<GridLogMessage << "-- # Thermalization step = "<< iter << "\n";
DeltaH = evolve_step(Uin);
std::cout<< " dH = "<< DeltaH << "\n";
std::cout<<GridLogMessage<< "dH = "<< DeltaH << "\n";
}
// Actual updates (evolve a copy Ucopy then copy back eventually)
LatticeGaugeField Ucopy(Uin._grid);
for(int iter=Params.StartingConfig;
iter < Params.Nsweeps+Params.StartingConfig; ++iter){
std::cout << "-- # Sweep = "<< iter << "\n";
std::cout<<GridLogMessage << "-- # Sweep = "<< iter << "\n";
Ucopy = Uin;
DeltaH = evolve_step(Ucopy);
if(metropolis_test(DeltaH)) Uin = Ucopy;
// here save config and RNG seed
}
}
};

13
lib/qcd/hmc/integrators/Integrator.h
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@@ -3,7 +3,7 @@
* @brief Classes for the Molecular Dynamics integrator
*
* @author Guido Cossu
* Time-stamp: <2015-07-07 14:58:40 neo>
* Time-stamp: <2015-07-30 16:21:29 neo>
*/
//--------------------------------------------------------------------
@@ -71,7 +71,6 @@ namespace Grid{
}
}
void update_U(LatticeGaugeField&U, double ep){
//rewrite exponential to deal automatically with the lorentz index?
LatticeColourMatrix Umu(U._grid);
@@ -85,7 +84,6 @@ namespace Grid{
}
friend void IntegratorAlgorithm::step (LatticeGaugeField& U,
int level, std::vector<int>& clock,
@@ -99,11 +97,9 @@ namespace Grid{
~Integrator(){}
//Initialization of momenta and actions
void init(LatticeGaugeField& U){
std::cout<< "Integrator init\n";
std::cout<<GridLogMessage<< "Integrator init\n";
MDutils::generate_momenta(*P,pRNG);
for(int level=0; level< as.size(); ++level){
for(int actionID=0; actionID<as[level].actions.size(); ++actionID){
@@ -112,7 +108,6 @@ namespace Grid{
}
}
// Calculate action
RealD S(LatticeGaugeField& U){
LatticeComplex Hloc(U._grid);
@@ -126,12 +121,14 @@ namespace Grid{
RealD H = Hsum.real();
std::cout << "H_p = "<< H << "\n";
std::cout<<GridLogMessage << "Momentum action H_p = "<< H << "\n";
// Actions
for(int level=0; level<as.size(); ++level)
for(int actionID=0; actionID<as[level].actions.size(); ++actionID)
H += as[level].actions.at(actionID)->S(U);
std::cout<<GridLogMessage << "Total action H = "<< H << "\n";
return H;
}

56
lib/qcd/hmc/integrators/Integrator_algorithm.h
View File

@@ -33,35 +33,32 @@ namespace Grid{
for(int l=1; l<=level; ++l) fin*= 2.0*Integ->as[l].multiplier;
fin = 3*Integ->Params.MDsteps*fin -1;
for(int e=0; e<Integ->as[level].multiplier; ++e){
if(clock[level] == 0){ // initial half step
Integ->update_P(U,level,lambda*eps);
++clock[level];
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"P "<< clock[level] <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"P "<< clock[level] <<std::endl;
}
if(level == fl){ // lowest level
Integ->update_U(U,0.5*eps);
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"U "<< (clock[level]+1) <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"U "<< (clock[level]+1) <<std::endl;
}else{ // recursive function call
step(U,level+1,clock, Integ);
}
Integ->update_P(U,level,(1.0-2.0*lambda)*eps);
++clock[level];
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"P "<< (clock[level]) <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"P "<< (clock[level]) <<std::endl;
if(level == fl){ // lowest level
Integ->update_U(U,0.5*eps);
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"U "<< (clock[level]+1) <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"U "<< (clock[level]+1) <<std::endl;
}else{ // recursive function call
step(U,level+1,clock, Integ);
}
@@ -71,19 +68,17 @@ namespace Grid{
Integ->update_P(U,level,lambda*eps);
++clock[level];
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"P "<< clock[level] <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"P "<< clock[level] <<std::endl;
}else{ // bulk step
Integ->update_P(U,level,lambda*2.0*eps);
clock[level]+=2;
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"P "<< clock[level] <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"P "<< clock[level] <<std::endl;
}
}
}
};
@@ -93,6 +88,7 @@ namespace Grid{
void step (LatticeLorentzColourMatrix& U,
int level, std::vector<int>& clock,
Integrator<LeapFrog>* Integ){
// level : current level
// fl : final level
// eps : current step size
@@ -112,34 +108,32 @@ namespace Grid{
if(clock[level] == 0){ // initial half step
Integ->update_P(U, level,eps/2.0);
++clock[level];
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"P "<< 0.5*clock[level] <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"P "<< 0.5*clock[level] <<std::endl;
}
if(level == fl){ // lowest level
Integ->update_U(U, eps);
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"U "<< 0.5*(clock[level]+1) <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"U "<< 0.5*(clock[level]+1) <<std::endl;
}else{ // recursive function call
step(U, level+1,clock, Integ);
}
if(clock[level] == fin){ // final half step
Integ->update_P(U, level,eps/2.0);
++clock[level];
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"P "<< 0.5*clock[level] <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"P "<< 0.5*clock[level] <<std::endl;
}else{ // bulk step
Integ->update_P(U, level,eps);
clock[level]+=2;
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"P "<< 0.5*clock[level] <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"P "<< 0.5*clock[level] <<std::endl;
}
}
}
};

30
lib/qcd/hmc/integrators/Integrator_base.h
View File

@@ -65,6 +65,18 @@ namespace Grid{
for(int a=0; a<as[level].size(); ++a){
LatticeLorentzColourMatrix force(U._grid);
as[level].at(a)->deriv(U,force);
Complex dSdt=0.0;
for(int mu=0;mu<Nd;mu++){
LatticeColourMatrix forcemu(U._grid);
LatticeColourMatrix mommu(U._grid);
forcemu=PeekIndex<LorentzIndex>(force,mu);
mommu=PeekIndex<LorentzIndex>(*P,mu);
dSdt += sum(trace(forcemu*(*P)));
}
std::cout << GridLogMessage << " action "<<level<<","<<a<<" dSdt "<< dSdt << " dt "<<ep <<std::endl;
*P -= force*ep;
}
}
@@ -101,7 +113,7 @@ namespace Grid{
//Initialization of momenta and actions
void init(LatticeLorentzColourMatrix& U,
GridParallelRNG& pRNG){
std::cout<< "Integrator init\n";
std::cout<<GridLogMessage<< "Integrator init\n";
if (!P)
P = new LatticeLorentzColourMatrix(U._grid);
MDutils::generate_momenta(*P,pRNG);
@@ -172,13 +184,13 @@ namespace Grid{
if(clock[level] == 0){ // initial half step
Integ->update_P(U, level,eps/2);
++clock[level];
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"P "<< 0.5*clock[level] <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"P "<< 0.5*clock[level] <<std::endl;
}
if(level == fl){ // lowest level
Integ->update_U(U, eps);
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"U "<< 0.5*(clock[level]+1) <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"U "<< 0.5*(clock[level]+1) <<std::endl;
}else{ // recursive function call
step(U, level+1,clock, Integ);
}
@@ -186,14 +198,14 @@ namespace Grid{
Integ->update_P(U, level,eps/2);
++clock[level];
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"P "<< 0.5*clock[level] <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"P "<< 0.5*clock[level] <<std::endl;
}else{ // bulk step
Integ->update_P(U, level,eps);
clock[level]+=2;
for(int l=0; l<level;++l) std::cout<<" ";
std::cout<<"P "<< 0.5*clock[level] <<std::endl;
for(int l=0; l<level;++l) std::cout<<GridLogMessage<<" ";
std::cout<<GridLogMessage<<"P "<< 0.5*clock[level] <<std::endl;
}
}