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Grid/lib/qcd/hmc/HMC.h

134 lines
3.6 KiB
C++

//--------------------------------------------------------------------
/*! @file HMC.h
* @brief Classes for Hybrid Monte Carlo update
*
* @author Guido Cossu
* Time-stamp: <2015-07-30 16:58:26 neo>
*/
//--------------------------------------------------------------------
#ifndef HMC_INCLUDED
#define HMC_INCLUDED
#include <string>
namespace Grid{
namespace QCD{
struct HMCparameters{
Integer Nsweeps; /* @brief Number of sweeps in this run */
Integer TotalSweeps; /* @brief If provided, the total number of sweeps */
Integer ThermalizationSteps;
Integer StartingConfig;
Integer SaveInterval; //Setting to 0 does not save configurations
std::string Filename_prefix; // To save configurations and rng seed
HMCparameters();
};
// template <class GaugeField, class Integrator, class Smearer, class Boundary>
template <class GaugeField, class IntegratorType>
class HybridMonteCarlo {
private:
const HMCparameters Params;
GridSerialRNG &sRNG; // Fixme: need a RNG management strategy.
GridParallelRNG &pRNG; // Fixme: need a RNG management strategy.
IntegratorType &TheIntegrator;
/////////////////////////////////////////////////////////
// Metropolis step
/////////////////////////////////////////////////////////
bool metropolis_test(const RealD DeltaH){
RealD rn_test;
RealD prob = std::exp(-DeltaH);
random(sRNG,rn_test);
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<<GridLogMessage <<"-- ACCEPTED\n";
return true;
} else { // rejected
std::cout<<GridLogMessage <<"-- REJECTED\n";
return false;
}
}
/////////////////////////////////////////////////////////
// Evolution
/////////////////////////////////////////////////////////
RealD evolve_step(GaugeField& U){
TheIntegrator.refresh(U,pRNG); // set U and initialize P and phi's
RealD H0 = TheIntegrator.S(U); // initial state action
std::cout<<GridLogMessage<<"Total H before = "<< H0 << "\n";
TheIntegrator.integrate(U);
RealD H1 = TheIntegrator.S(U); // updated state action
std::cout<<GridLogMessage<<"Total H after = "<< H1 << "\n";
return (H1-H0);
}
public:
/////////////////////////////////////////
// Constructor
/////////////////////////////////////////
HybridMonteCarlo(HMCparameters Pms, IntegratorType &_Int, GridSerialRNG &_sRNG, GridParallelRNG &_pRNG ) :
Params(Pms),
TheIntegrator(_Int),
sRNG(_sRNG),
pRNG(_pRNG)
{
}
~HybridMonteCarlo(){};
void evolve(GaugeField& Uin){
Real DeltaH;
// Thermalizations
for(int iter=1; iter <= Params.ThermalizationSteps; ++iter){
std::cout<<GridLogMessage << "-- # Thermalization step = "<< iter << "\n";
DeltaH = evolve_step(Uin);
std::cout<<GridLogMessage<< "dH = "<< DeltaH << "\n";
}
// Actual updates (evolve a copy Ucopy then copy back eventually)
GaugeField Ucopy(Uin._grid);
for(int iter=Params.StartingConfig; iter < Params.Nsweeps+Params.StartingConfig; ++iter){
std::cout<<GridLogMessage << "-- # Sweep = "<< iter << "\n";
Ucopy = Uin;
DeltaH = evolve_step(Ucopy);
if(metropolis_test(DeltaH)) Uin = Ucopy;
}
}
};
}// QCD
}// Grid
#endif