Grid/lib/qcd/hmc/HmcRunner.h

/*************************************************************************************

Grid physics library, www.github.com/paboyle/Grid

Source file: ./lib/qcd/hmc/HmcRunner.h

Copyright (C) 2015

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 */
#ifndef HMC_RUNNER
#define HMC_RUNNER

namespace Grid {
namespace QCD {

template <class Gimpl, class RepresentationsPolicy = NoHirep >
class NerscHmcRunnerTemplate {
 public:
  INHERIT_GIMPL_TYPES(Gimpl);

  enum StartType_t { ColdStart, HotStart, TepidStart, CheckpointStart };

  ActionSet<GaugeField, RepresentationsPolicy> TheAction;

  GridCartesian *UGrid;
  GridCartesian *FGrid;
  GridRedBlackCartesian *UrbGrid;
  GridRedBlackCartesian *FrbGrid;

  virtual void BuildTheAction(int argc, char **argv) = 0;  // necessary?

  void Run(int argc, char **argv) {
    StartType_t StartType = HotStart;

    std::string arg;

    if (GridCmdOptionExists(argv, argv + argc, "--StartType")) {
      arg = GridCmdOptionPayload(argv, argv + argc, "--StartType");
      if (arg == "HotStart") {
        StartType = HotStart;
      } else if (arg == "ColdStart") {
        StartType = ColdStart;
      } else if (arg == "TepidStart") {
        StartType = TepidStart;
      } else if (arg == "CheckpointStart") {
        StartType = CheckpointStart;
      } else {
        std::cout << GridLogError << "Unrecognized option in --StartType\n";
        std::cout << GridLogError << "Valid [HotStart, ColdStart, TepidStart, CheckpointStart]\n";
        assert(0);
      }
    }

    int StartTraj = 0;
    if (GridCmdOptionExists(argv, argv + argc, "--StartTrajectory")) {
      arg = GridCmdOptionPayload(argv, argv + argc, "--StartTrajectory");
      std::vector<int> ivec(0);
      GridCmdOptionIntVector(arg, ivec);
      StartTraj = ivec[0];
    }

    int NumTraj = 1;
    if (GridCmdOptionExists(argv, argv + argc, "--Trajectories")) {
      arg = GridCmdOptionPayload(argv, argv + argc, "--Trajectories");
      std::vector<int> ivec(0);
      GridCmdOptionIntVector(arg, ivec);
      NumTraj = ivec[0];
    }

    int NumThermalizations = 10;
    if (GridCmdOptionExists(argv, argv + argc, "--Thermalizations")) {
      arg = GridCmdOptionPayload(argv, argv + argc, "--Thermalizations");
      std::vector<int> ivec(0);
      GridCmdOptionIntVector(arg, ivec);
      NumThermalizations = ivec[0];
    }

    GridSerialRNG sRNG;
    GridParallelRNG pRNG(UGrid);
    LatticeGaugeField U(UGrid);  // change this to an extended field (smearing class)?

    std::vector<int> SerSeed({1, 2, 3, 4, 5});
    std::vector<int> ParSeed({6, 7, 8, 9, 10});

    // Create integrator, including the smearing policy
    // Smearing policy, only defined for Nc=3
    /*
    std::cout << GridLogDebug << " Creating the Stout class\n";
    double rho = 0.1;  // smearing parameter, now hardcoded
    int Nsmear = 1;    // number of smearing levels
    Smear_Stout<Gimpl> Stout(rho);
    std::cout << GridLogDebug << " Creating the SmearedConfiguration class\n";
    //SmearedConfiguration<Gimpl> SmearingPolicy(UGrid, Nsmear, Stout);
    std::cout << GridLogDebug << " done\n";
    */
    //////////////
    NoSmearing<Gimpl> SmearingPolicy;
    // change here to change the algorithm
    typedef MinimumNorm2<GaugeField, NoSmearing<Gimpl>, RepresentationsPolicy >  IntegratorType;  
    IntegratorParameters MDpar(40, 1.0);
    IntegratorType MDynamics(UGrid, MDpar, TheAction, SmearingPolicy);

    // Checkpoint strategy
    NerscHmcCheckpointer<Gimpl> Checkpoint(std::string("ckpoint_lat"),
                                           std::string("ckpoint_rng"), 1);
    PlaquetteLogger<Gimpl> PlaqLog(std::string("plaq"));

    HMCparameters HMCpar;
    HMCpar.StartTrajectory = StartTraj;
    HMCpar.Trajectories = NumTraj;
    HMCpar.NoMetropolisUntil = NumThermalizations;

    if (StartType == HotStart) {
      // Hot start
      HMCpar.MetropolisTest = true;
      sRNG.SeedFixedIntegers(SerSeed);
      pRNG.SeedFixedIntegers(ParSeed);
      SU<Nc>::HotConfiguration(pRNG, U);
    } else if (StartType == ColdStart) {
      // Cold start
      HMCpar.MetropolisTest = true;
      sRNG.SeedFixedIntegers(SerSeed);
      pRNG.SeedFixedIntegers(ParSeed);
      SU<Nc>::ColdConfiguration(pRNG, U);
    } else if (StartType == TepidStart) {
      // Tepid start
      HMCpar.MetropolisTest = true;
      sRNG.SeedFixedIntegers(SerSeed);
      pRNG.SeedFixedIntegers(ParSeed);
      SU<Nc>::TepidConfiguration(pRNG, U);
    } else if (StartType == CheckpointStart) {
      HMCpar.MetropolisTest = true;
      // CheckpointRestart
      Checkpoint.CheckpointRestore(StartTraj, U, sRNG, pRNG);
    }

    // Attach the gauge field to the smearing Policy and create the fill the
    // smeared set
    // notice that the unit configuration is singular in this procedure
    std::cout << GridLogMessage << "Filling the smeared set\n";
    SmearingPolicy.set_GaugeField(U);

    HybridMonteCarlo<GaugeField, IntegratorType> HMC(HMCpar, MDynamics, sRNG,
                                                     pRNG, U);
    HMC.AddObservable(&Checkpoint);
    HMC.AddObservable(&PlaqLog);

    // Run it
    HMC.evolve();
  }
};

typedef NerscHmcRunnerTemplate<PeriodicGimplR> NerscHmcRunner;
typedef NerscHmcRunnerTemplate<PeriodicGimplF> NerscHmcRunnerF;
typedef NerscHmcRunnerTemplate<PeriodicGimplD> NerscHmcRunnerD;

typedef NerscHmcRunnerTemplate<PeriodicGimplR> PeriodicNerscHmcRunner;
typedef NerscHmcRunnerTemplate<PeriodicGimplF> PeriodicNerscHmcRunnerF;
typedef NerscHmcRunnerTemplate<PeriodicGimplD> PeriodicNerscHmcRunnerD;

typedef NerscHmcRunnerTemplate<ConjugateGimplR> ConjugateNerscHmcRunner;
typedef NerscHmcRunnerTemplate<ConjugateGimplF> ConjugateNerscHmcRunnerF;
typedef NerscHmcRunnerTemplate<ConjugateGimplD> ConjugateNerscHmcRunnerD;

template <class RepresentationsPolicy>
using NerscHmcRunnerHirep = NerscHmcRunnerTemplate<PeriodicGimplR, RepresentationsPolicy>;



}
}
#endif