/************************************************************************************* Grid physics library, www.github.com/paboyle/Grid Source file: ./lib/qcd/hmc/HMC.h Copyright (C) 2015 Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk> Author: Peter Boyle <paboyle@ph.ed.ac.uk> Author: neo <cossu@post.kek.jp> Author: paboyle <paboyle@ph.ed.ac.uk> 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. See the full license in the file "LICENSE" in the top level distribution directory *************************************************************************************/ /* END LEGAL */ //-------------------------------------------------------------------- /*! @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 StartTrajectory; Integer Trajectories; /* @brief Number of sweeps in this run */ bool MetropolisTest; Integer NoMetropolisUntil; HMCparameters(){ ////////////////////////////// Default values MetropolisTest = true; NoMetropolisUntil = 10; StartTrajectory = 0; Trajectories = 200; ///////////////////////////////// } }; template<class GaugeField> class HmcObservable { public: virtual void TrajectoryComplete (int traj, GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG & pRNG )=0; }; template<class Gimpl> class PlaquetteLogger : public HmcObservable<typename Gimpl::GaugeField> { private: std::string Stem; public: INHERIT_GIMPL_TYPES(Gimpl); PlaquetteLogger(std::string cf) { Stem = cf; }; void TrajectoryComplete(int traj, GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG & pRNG ) { std::string file; { std::ostringstream os; os << Stem <<"."<< traj; file = os.str(); } std::ofstream of(file); RealD peri_plaq = WilsonLoops<PeriodicGimplR>::avgPlaquette(U); RealD peri_rect = WilsonLoops<PeriodicGimplR>::avgRectangle(U); RealD impl_plaq = WilsonLoops<Gimpl>::avgPlaquette(U); RealD impl_rect = WilsonLoops<Gimpl>::avgRectangle(U); of << traj<<" "<< impl_plaq << " " << impl_rect << " "<< peri_plaq<<" "<<peri_rect<<std::endl; std::cout<< GridLogMessage<< "traj"<<" "<< "plaq " << " " << " rect " << " "<< "peri_plaq" <<" "<<"peri_rect"<<std::endl; std::cout<< GridLogMessage<< traj<<" "<< impl_plaq << " " << impl_rect << " "<< peri_plaq<<" "<<peri_rect<<std::endl; } }; // 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. GaugeField & Ucur; IntegratorType &TheIntegrator; std::vector<HmcObservable<GaugeField> *> Observables; ///////////////////////////////////////////////////////// // 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, GaugeField &_U ) : Params(Pms), TheIntegrator(_Int), sRNG(_sRNG), pRNG(_pRNG), Ucur(_U) { } ~HybridMonteCarlo(){}; void AddObservable(HmcObservable<GaugeField> *obs) { Observables.push_back(obs); } void evolve(void){ Real DeltaH; GaugeField Ucopy(Ucur._grid); // Actual updates (evolve a copy Ucopy then copy back eventually) for(int traj=Params.StartTrajectory; traj < Params.Trajectories+Params.StartTrajectory; ++traj){ std::cout<<GridLogMessage << "-- # Trajectory = "<< traj << "\n"; Ucopy = Ucur; DeltaH = evolve_step(Ucopy); bool accept = true; if ( traj > Params.NoMetropolisUntil) { accept = metropolis_test(DeltaH); } if ( accept ) { Ucur = Ucopy; } for(int obs = 0;obs<Observables.size();obs++){ Observables[obs]->TrajectoryComplete (traj+1,Ucur,sRNG,pRNG); } } } }; }// QCD }// Grid #endif