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Added midMD checkpointing (for lattice only for now)

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This commit is contained in:
Chulwoo Jung 2023-12-04 20:05:41 -05:00
parent 982a60536c
commit 7af6022a2a
4 changed files with 26 additions and 6 deletions
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9
Grid/qcd/hmc/HMC.h
View File

@ -112,6 +112,8 @@ private:
IntegratorType &TheIntegrator;
ObsListType Observables;
int traj_num;
/////////////////////////////////////////////////////////
// Metropolis step
/////////////////////////////////////////////////////////
@ -202,7 +204,7 @@ private:
std::cout << GridLogMessage << "--------------------------------------------------\n";
std::cout << GridLogMessage << " Molecular Dynamics evolution ";
TheIntegrator.integrate(U);
TheIntegrator.integrate(U,traj_num);
std::cout << GridLogMessage << "--------------------------------------------------\n";
//////////////////////////////////////////////////////////////////////////////////////////////////////
@ -244,7 +246,7 @@ public:
HybridMonteCarlo(HMCparameters _Pams, IntegratorType &_Int,
GridSerialRNG &_sRNG, GridParallelRNG &_pRNG,
ObsListType _Obs, Field &_U)
: Params(_Pams), TheIntegrator(_Int), sRNG(_sRNG), pRNG(_pRNG), Observables(_Obs), Ucur(_U) {}
: Params(_Pams), TheIntegrator(_Int), sRNG(_sRNG), pRNG(_pRNG), Observables(_Obs), Ucur(_U),traj_num(0) {}
~HybridMonteCarlo(){};
void evolve(void) {
@ -259,9 +261,10 @@ public:
unsigned int FinalTrajectory = Params.Trajectories + Params.NoMetropolisUntil + Params.StartTrajectory;
for (int traj = Params.StartTrajectory; traj < FinalTrajectory; ++traj) {
std::cout << GridLogHMC << "-- # Trajectory = " << traj << "\n";
traj_num=traj;
if (traj < Params.StartTrajectory + Params.NoMetropolisUntil) {
std::cout << GridLogHMC << "-- Thermalization" << std::endl;
}

10
Grid/qcd/hmc/integrators/Integrator.h
View File

@ -34,6 +34,7 @@ directory
#define INTEGRATOR_INCLUDED
#include <memory>
#include <Grid/parallelIO/NerscIO.h>
NAMESPACE_BEGIN(Grid);
@ -676,7 +677,7 @@ public:
}
void integrate(Field& U)
void integrate(Field& U, int traj=-1 )
{
// reset the clocks
t_U = 0;
@ -688,6 +689,12 @@ public:
int first_step = (stp == 0);
int last_step = (stp == Params.MDsteps - 1);
this->step(U, 0, first_step, last_step);
if (traj>=0){
std::string file("./config."+std::to_string(traj)+"_"+std::to_string(stp+1) );
int precision32 = 0;
int tworow = 0;
NerscIO::writeConfiguration(U,file,tworow,precision32);
}
}
// Check the clocks all match on all levels
@ -697,7 +704,6 @@ public:
}
FieldImplementation::Project(U);
// and that we indeed got to the end of the trajectory
assert(fabs(t_U - Params.trajL) < 1.0e-6);

7
Grid/qcd/hmc/integrators/Integrator_algorithm.h
View File

@ -140,7 +140,7 @@ template <class FieldImplementation_, class SmearingPolicy, class Representation
class MinimumNorm2 : public Integrator<FieldImplementation_, SmearingPolicy, RepresentationPolicy>
{
private:
const RealD lambda = 0.1931833275037836;
// const RealD lambda = 0.1931833275037836;
public:
typedef FieldImplementation_ FieldImplementation;
@ -155,6 +155,11 @@ public:
// level : current level
// fl : final level
// eps : current step size
assert(level<3);
RealD lambda= this->Params.lambda0;
if (level>0) lambda= this->Params.lambda1;
if (level>1) lambda= this->Params.lambda2;
std::cout << GridLogMessage << "level: "<<level<< "lambda: "<<lambda<<std::endl;
int fl = this->as.size() - 1;

6
benchmarks/Benchmark_ITT.cc
View File

@ -365,9 +365,15 @@ public:
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
#if 1
typedef DomainWallFermionF Action;
typedef typename Action::FermionField Fermion;
typedef LatticeGaugeFieldF Gauge;
#else
typedef GparityDomainWallFermionF Action;
typedef typename Action::FermionField Fermion;
typedef LatticeGaugeFieldF Gauge;
#endif
///////// Source preparation ////////////
Gauge Umu(UGrid); SU<Nc>::HotConfiguration(RNG4,Umu);