//-------------------------------------------------------------------- /*! @file HMC.h * @brief Declaration of classes for Hybrid Monte Carlo update * * @author Guido Cossu */ //-------------------------------------------------------------------- #ifndef HMC_INCLUDED #define HMC_INCLUDED #include #include #include 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 HMCparameters(); }; template class HybridMonteCarlo{ const HMCparameters Params; GridSerialRNG sRNG; GridParallelRNG pRNG; Integrator& MD; bool metropolis_test(const RealD DeltaH){ RealD rn_test; RealD prob = std::exp(-DeltaH); random(sRNG,rn_test); std::cout<< "--------------------------------------------\n"; std::cout<< "dH = "<1.0) || (rn_test <= prob)){ // accepted std::cout <<"-- ACCEPTED\n"; return true; } else { // rejected std::cout <<"-- REJECTED\n"; return false; } } RealD evolve_step(LatticeLorentzColourMatrix& U){ MD.init(U,pRNG); // set U and initialize P and phi's RealD H0 = MD.S(U); // current state std::cout<<"Total H before = "<< H0 << "\n"; MD.integrate(U,0); RealD H1 = MD.S(U); // updated state std::cout<<"Total H after = "<< H1 << "\n"; return (H1-H0); } public: HybridMonteCarlo(HMCparameters Pms, Integrator& MolDyn, GridBase* grid): Params(Pms),MD(MolDyn),pRNG(grid){ //FIXME // initialize RNGs sRNG.SeedRandomDevice(); pRNG.SeedRandomDevice(); } ~HybridMonteCarlo(){}; void evolve(LatticeLorentzColourMatrix& Uin){ Real DeltaH; // Thermalizations for(int iter=1; iter <= Params.ThermalizationSteps; ++iter){ std::cout << "-- # Thermalization step = "<< iter << "\n"; DeltaH = evolve_step(Uin); std::cout<< " dH = "<< DeltaH << "\n"; } // Actual updates (evolve a copy Ucopy then copy back eventually) LatticeLorentzColourMatrix Ucopy(Uin._grid); for(int iter=Params.StartingConfig; iter < Params.Nsweeps+Params.StartingConfig; ++iter){ std::cout << "-- # Sweep = "<< iter << "\n"; Ucopy = Uin; DeltaH = evolve_step(Ucopy); if(metropolis_test(DeltaH)) Uin = Ucopy; //need sync? } } }; }// QCD }// Grid #endif