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Cleaned up HMC output. Tested smeared HMCs for single precision (OK)

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This commit is contained in:
Guido Cossu
2016-07-05 12:03:54 +01:00
parent fdfbf11c6d
commit 3e80947c2b
6 changed files with 838 additions and 787 deletions
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348
lib/qcd/hmc/HMC.h
View File

@ -1,33 +1,34 @@
/*************************************************************************************
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/qcd/hmc/HMC.h
Source file: ./lib/qcd/hmc/HMC.h
Copyright (C) 2015
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 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.
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.
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 */
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
@ -41,172 +42,195 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
#include <string>
namespace Grid {
namespace QCD {
namespace Grid{
namespace QCD{
struct HMCparameters {
Integer StartTrajectory;
Integer Trajectories; /* @brief Number of sweeps in this run */
bool MetropolisTest;
Integer NoMetropolisUntil;
struct HMCparameters{
HMCparameters() {
////////////////////////////// Default values
MetropolisTest = true;
NoMetropolisUntil = 10;
StartTrajectory = 0;
Trajectories = 200;
/////////////////////////////////
}
Integer StartTrajectory;
Integer Trajectories; /* @brief Number of sweeps in this run */
bool MetropolisTest;
Integer NoMetropolisUntil;
void print() const {
std::cout << GridLogMessage << "[HMC parameter] Trajectories : " << Trajectories << "\n";
std::cout << GridLogMessage << "[HMC parameter] Start trajectory : " << StartTrajectory << "\n";
std::cout << GridLogMessage << "[HMC parameter] Metropolis test (on/off): " << MetropolisTest << "\n";
std::cout << GridLogMessage << "[HMC parameter] Thermalization trajs : " << NoMetropolisUntil << "\n";
}
};
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 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;
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;
};
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);
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 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);
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;
}
};
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:
// template <class GaugeField, class Integrator, class Smearer, class
// Boundary>
template <class GaugeField, class IntegratorType>
class HybridMonteCarlo {
private:
const HMCparameters Params;
const HMCparameters Params;
GridSerialRNG &sRNG; // Fixme: need a RNG management strategy.
GridParallelRNG &pRNG; // Fixme: need a RNG management strategy.
GaugeField & Ucur;
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;
IntegratorType &TheIntegrator;
std::vector<HmcObservable<GaugeField> *> Observables;
/////////////////////////////////////////////////////////
// Metropolis step
/////////////////////////////////////////////////////////
bool metropolis_test(const RealD DeltaH){
/////////////////////////////////////////////////////////
// Metropolis step
/////////////////////////////////////////////////////////
bool metropolis_test(const RealD DeltaH) {
RealD rn_test;
RealD rn_test;
RealD prob = std::exp(-DeltaH);
RealD prob = std::exp(-DeltaH);
random(sRNG, rn_test);
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;
}
std::cout << GridLogMessage
<< "--------------------------------------------------\n";
std::cout << GridLogMessage << "exp(-dH) = " << prob
<< " Random = " << rn_test << "\n";
std::cout << GridLogMessage
<< "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
if ((prob > 1.0) || (rn_test <= prob)) { // accepted
std::cout << GridLogMessage << "Metropolis_test -- ACCEPTED\n";
std::cout << GridLogMessage
<< "--------------------------------------------------\n";
return true;
} else { // rejected
std::cout << GridLogMessage << "Metropolis_test -- REJECTED\n";
std::cout << GridLogMessage
<< "--------------------------------------------------\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::streamsize current_precision = std::cout.precision();
std::cout.precision(17);
std::cout << GridLogMessage << "Total H before trajectory = " << H0 << "\n";
std::cout.precision(current_precision);
TheIntegrator.integrate(U);
RealD H1 = TheIntegrator.S(U); // updated state action
std::cout.precision(17);
std::cout << GridLogMessage << "Total H after trajectory = " << H1
<< " dH = " << H1 - H0 << "\n";
std::cout.precision(current_precision);
return (H1 - H0);
}
public:
/////////////////////////////////////////
// Constructor
/////////////////////////////////////////
HybridMonteCarlo(HMCparameters Pams, IntegratorType &_Int,
GridSerialRNG &_sRNG, GridParallelRNG &_pRNG, GaugeField &_U)
: Params(Pams), 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);
Params.print();
// 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);
}
/////////////////////////////////////////////////////////
// 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);
if (accept) {
Ucur = Ucopy;
}
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);
}
}
for (int obs = 0; obs < Observables.size(); obs++) {
Observables[obs]->TrajectoryComplete(traj + 1, Ucur, sRNG, pRNG);
}
};
}// QCD
}// Grid
}
}
};
} // QCD
} // Grid
#endif
#endif

17
lib/qcd/hmc/HmcRunner.h
View File

@ -81,6 +81,14 @@ public:
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);
@ -110,33 +118,30 @@ public:
PlaquetteLogger<Gimpl> PlaqLog(std::string("plaq"));
HMCparameters HMCpar;
HMCpar.StartTrajectory = StartTraj;
HMCpar.Trajectories = NumTraj;
HMCpar.StartTrajectory = StartTraj;
HMCpar.Trajectories = NumTraj;
HMCpar.NoMetropolisUntil = NumThermalizations;
if ( StartType == HotStart ) {
// Hot start
HMCpar.NoMetropolisUntil =10;
HMCpar.MetropolisTest = true;
sRNG.SeedFixedIntegers(SerSeed);
pRNG.SeedFixedIntegers(ParSeed);
SU3::HotConfiguration(pRNG, U);
} else if ( StartType == ColdStart ) {
// Cold start
HMCpar.NoMetropolisUntil =10;
HMCpar.MetropolisTest = true;
sRNG.SeedFixedIntegers(SerSeed);
pRNG.SeedFixedIntegers(ParSeed);
SU3::ColdConfiguration(pRNG, U);
} else if ( StartType == TepidStart ) {
// Tepid start
HMCpar.NoMetropolisUntil =10;
HMCpar.MetropolisTest = true;
sRNG.SeedFixedIntegers(SerSeed);
pRNG.SeedFixedIntegers(ParSeed);
SU3::TepidConfiguration(pRNG, U);
} else if ( StartType == CheckpointStart ) {
HMCpar.NoMetropolisUntil =10;
HMCpar.MetropolisTest = true;
// CheckpointRestart
Checkpoint.CheckpointRestore(StartTraj, U, sRNG, pRNG);