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Unified integrator and integrator algorithm into virtual class used as a policy for the

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HMC.
This commit is contained in:
Peter Boyle 2015-08-30 13:39:19 +01:00
parent eed889ea05
commit 29fd004d54
23 changed files with 133 additions and 126 deletions
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30
lib/qcd/action/ActionBase.h
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@ -7,16 +7,15 @@ template<class GaugeField>
class Action {
public:
virtual void init (const GaugeField &U, GridParallelRNG& pRNG) = 0; //
// Boundary conditions? // Heatbath?
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) = 0;// refresh pseudofermions
virtual RealD S (const GaugeField &U) = 0; // evaluate the action
virtual void deriv(const GaugeField &U,GaugeField & dSdU ) = 0; // evaluate the action derivative
virtual void refresh(const GaugeField & ) {}; // Default to no-op for actions with no internal fields
// Boundary conditions?
// Heatbath?
virtual ~Action() {};
};
// Could derive PseudoFermion action with a PF field, FermionField, and a Grid; implement refresh
/*
template<class GaugeField, class FermionField>
class PseudoFermionAction : public Action<GaugeField> {
public:
@ -32,5 +31,28 @@ class PseudoFermionAction : public Action<GaugeField> {
};
};
*/
template<class GaugeField> struct ActionLevel{
public:
typedef Action<GaugeField>* ActPtr; // now force the same colours as the rest of the code
int multiplier;
std::vector<ActPtr> actions;
ActionLevel(int mul = 1) : multiplier(mul) {
assert (mul > 0);
};
void push_back(ActPtr ptr){
actions.push_back(ptr);
}
};
template<class GaugeField> using ActionSet = std::vector<ActionLevel< GaugeField > >;
}}
#endif

2
lib/qcd/action/gauge/WilsonGaugeAction.h
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@ -18,7 +18,7 @@ namespace Grid{
public:
WilsonGaugeAction(RealD b):beta(b){};
virtual void init(const GaugeField &U, GridParallelRNG& pRNG) {};
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {}; // noop as no pseudoferms
virtual RealD S(const GaugeField &U) {
RealD plaq = WilsonLoops<GaugeField>::avgPlaquette(U);

2
lib/qcd/action/pseudofermion/OneFlavourEvenOddRational.h
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@ -61,7 +61,7 @@ namespace Grid{
PowerNegQuarter.Init(remez,param.tolerance,true);
};
virtual void init(const GaugeField &U, GridParallelRNG& pRNG) {
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {
// P(phi) = e^{- phi^dag (MpcdagMpc)^-1/2 phi}
// = e^{- phi^dag (MpcdagMpc)^-1/4 (MpcdagMpc)^-1/4 phi}

2
lib/qcd/action/pseudofermion/OneFlavourEvenOddRationalRatio.h
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@ -61,7 +61,7 @@ namespace Grid{
PowerNegQuarter.Init(remez,param.tolerance,true);
};
virtual void init(const GaugeField &U, GridParallelRNG& pRNG) {
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {
// S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi
//

2
lib/qcd/action/pseudofermion/OneFlavourRational.h
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@ -57,7 +57,7 @@ namespace Grid{
PowerNegQuarter.Init(remez,param.tolerance,true);
};
virtual void init(const GaugeField &U, GridParallelRNG& pRNG) {
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {
// P(phi) = e^{- phi^dag (MdagM)^-1/2 phi}
// = e^{- phi^dag (MdagM)^-1/4 (MdagM)^-1/4 phi}

2
lib/qcd/action/pseudofermion/OneFlavourRationalRatio.h
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@ -55,7 +55,7 @@ namespace Grid{
PowerNegQuarter.Init(remez,param.tolerance,true);
};
virtual void init(const GaugeField &U, GridParallelRNG& pRNG) {
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {
// S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi
//

2
lib/qcd/action/pseudofermion/TwoFlavour.h
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@ -35,7 +35,7 @@ namespace Grid{
//////////////////////////////////////////////////////////////////////////////////////
// Push the gauge field in to the dops. Assume any BC's and smearing already applied
//////////////////////////////////////////////////////////////////////////////////////
virtual void init(const GaugeField &U, GridParallelRNG& pRNG) {
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {
// P(phi) = e^{- phi^dag (MdagM)^-1 phi}
// Phi = Mdag eta

2
lib/qcd/action/pseudofermion/TwoFlavourEvenOdd.h
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@ -44,7 +44,7 @@ namespace Grid{
//////////////////////////////////////////////////////////////////////////////////////
// Push the gauge field in to the dops. Assume any BC's and smearing already applied
//////////////////////////////////////////////////////////////////////////////////////
virtual void init(const GaugeField &U, GridParallelRNG& pRNG) {
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {
// P(phi) = e^{- phi^dag (MpcdagMpc)^-1 phi}
// Phi = McpDag eta

2
lib/qcd/action/pseudofermion/TwoFlavourEvenOddRatio.h
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@ -40,7 +40,7 @@ namespace Grid{
conformable(_NumOp.GaugeRedBlackGrid(), _DenOp.GaugeRedBlackGrid());
};
virtual void init(const GaugeField &U, GridParallelRNG& pRNG) {
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {
// P(phi) = e^{- phi^dag Vpc (MpcdagMpc)^-1 Vpcdag phi}
//

2
lib/qcd/action/pseudofermion/TwoFlavourRatio.h
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@ -28,7 +28,7 @@ namespace Grid{
OperatorFunction<FermionField> & AS
) : NumOp(_NumOp), DenOp(_DenOp), DerivativeSolver(DS), ActionSolver(AS), Phi(_NumOp.FermionGrid()) {};
virtual void init(const GaugeField &U, GridParallelRNG& pRNG) {
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {
// P(phi) = e^{- phi^dag V (MdagM)^-1 Vdag phi}
//

6
lib/qcd/hmc/HMC.h
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@ -28,7 +28,7 @@ namespace Grid{
};
// template <class GaugeField, class Integrator, class Smearer, class Boundary>
template <class GaugeField, class Algorithm>
template <class GaugeField, class IntegratorType>
class HybridMonteCarlo {
private:
@ -36,7 +36,7 @@ namespace Grid{
GridSerialRNG &sRNG; // Fixme: need a RNG management strategy.
GridParallelRNG &pRNG; // Fixme: need a RNG management strategy.
typedef Integrator<GaugeField,Algorithm> IntegratorType;
IntegratorType &TheIntegrator;
/////////////////////////////////////////////////////////
@ -69,7 +69,7 @@ namespace Grid{
/////////////////////////////////////////////////////////
RealD evolve_step(GaugeField& U){
TheIntegrator.init(U); // set U and initialize P and phi's
TheIntegrator.refresh(U,pRNG); // set U and initialize P and phi's
RealD H0 = TheIntegrator.S(U); // initial state action

86
lib/qcd/hmc/integrators/Integrator.h
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@ -24,9 +24,9 @@ namespace Grid{
RealD trajL; // trajectory length
RealD stepsize;
IntegratorParameters(int Nexp_,
int MDsteps_,
RealD trajL_):
IntegratorParameters(int MDsteps_,
RealD trajL_=1.0,
int Nexp_=12):
Nexp(Nexp_),
MDsteps(MDsteps_),
trajL(trajL_),
@ -37,54 +37,36 @@ namespace Grid{
};
// Should match any legal (SU(n)) gauge field
// Need to use this template to match Ncol to pass to SU<N> class
template<int Ncol,class vec> void generate_momenta(Lattice< iVector< iScalar< iMatrix<vec,Ncol> >, Nd> > & P,GridParallelRNG& pRNG){
typedef Lattice< iScalar< iScalar< iMatrix<vec,Ncol> > > > GaugeLinkField;
GaugeLinkField Pmu(P._grid);
Pmu = zero;
for(int mu=0;mu<Nd;mu++){
SU<Ncol>::GaussianLieAlgebraMatrix(pRNG, Pmu);
PokeIndex<LorentzIndex>(P, Pmu, mu);
}
}
template<class GaugeField> struct ActionLevel{
public:
typedef Action<GaugeField>* ActPtr; // now force the same colours as the rest of the code
int multiplier;
std::vector<ActPtr> actions;
ActionLevel(int mul = 1) : multiplier(mul) {
assert (mul > 0);
};
void push_back(ActPtr ptr){
actions.push_back(ptr);
}
};
template<class GaugeField> using ActionSet = std::vector<ActionLevel< GaugeField > >;
/*! @brief Class for Molecular Dynamics management */
template<class GaugeField, class Algorithm >
class Integrator : public Algorithm {
template<class GaugeField>
class Integrator {
private:
protected:
typedef IntegratorParameters ParameterType;
IntegratorParameters Params;
GridParallelRNG pRNG; // Store this somewhere more sensible and pass as reference
const ActionSet<GaugeField> as;
int levels; //
double t_U; // Track time passing on each level and for U and for P
std::vector<double> t_P; //
GaugeField P; // is a pointer really necessary?
GaugeField P;
// Should match any legal (SU(n)) gauge field
// Need to use this template to match Ncol to pass to SU<N> class
template<int Ncol,class vec> void generate_momenta(Lattice< iVector< iScalar< iMatrix<vec,Ncol> >, Nd> > & P,GridParallelRNG& pRNG){
typedef Lattice< iScalar< iScalar< iMatrix<vec,Ncol> > > > GaugeLinkField;
GaugeLinkField Pmu(P._grid);
Pmu = zero;
for(int mu=0;mu<Nd;mu++){
SU<Ncol>::GaussianLieAlgebraMatrix(pRNG, Pmu);
PokeIndex<LorentzIndex>(P, Pmu, mu);
}
}
//ObserverList observers; // not yet
// typedef std::vector<Observer*> ObserverList;
@ -125,10 +107,14 @@ namespace Grid{
}
friend void Algorithm::step (GaugeField& U,
/*
friend void Algorithm::step (GaugeField& U,
int level,
std::vector<int>& clock,
Integrator<GaugeField,Algorithm>* Integ);
*/
virtual void step (GaugeField& U,int level, std::vector<int>& clock)=0;
public:
@ -138,25 +124,21 @@ namespace Grid{
Params(Par),
as(Aset),
P(grid),
pRNG(grid),
levels(Aset.size())
{
std::vector<int> seeds({1,2,3,4,5}); // Fixme; Pass it the RNG as a ref
pRNG.SeedFixedIntegers(seeds);
t_P.resize(levels,0.0);
t_U=0.0;
};
~Integrator(){}
virtual ~Integrator(){}
//Initialization of momenta and actions
void init(GaugeField& U){
std::cout<<GridLogMessage<< "Integrator init\n";
void refresh(GaugeField& U,GridParallelRNG &pRNG){
std::cout<<GridLogMessage<< "Integrator refresh\n";
generate_momenta(P,pRNG);
for(int level=0; level< as.size(); ++level){
for(int actionID=0; actionID<as[level].actions.size(); ++actionID){
as[level].actions.at(actionID)->init(U, pRNG);
as[level].actions.at(actionID)->refresh(U, pRNG);
}
}
}
@ -197,12 +179,14 @@ namespace Grid{
// All the clock stuff is removed if we pass first, last to the step down the way
for(int step=0; step< Params.MDsteps; ++step){ // MD step
Algorithm::step(U,0,clock, (this));
int first_step = (step==0);
int last_step = (step==Params.MDsteps-1);
this->step(U,0,clock);
}
// Check the clocks all match
for(int level=0; level<as.size(); ++level){
assert(fabs(t_U - t_P[level])<1.0e-4);
assert(fabs(t_U - t_P[level])<1.0e-6); // must be the same
std::cout<<GridLogMessage<<" times["<<level<<"]= "<<t_P[level]<< " " << t_U <<std::endl;
}

74
lib/qcd/hmc/integrators/Integrator_algorithm.h
View File

@ -63,30 +63,32 @@ namespace Grid{
* P 1/2 P 1/2
*/
template<class GaugeField> class LeapFrog {
template<class GaugeField> class LeapFrog : public Integrator<GaugeField> {
public:
typedef LeapFrog<GaugeField> Algorithm;
void step (GaugeField& U,
int level, std::vector<int>& clock,
Integrator<GaugeField,Algorithm> * Integ){
LeapFrog(GridBase* grid,
IntegratorParameters Par,
ActionSet<GaugeField> & Aset): Integrator<GaugeField>(grid,Par,Aset) {};
void step (GaugeField& U, int level, std::vector<int>& clock){
int fl = this->as.size() -1;
// level : current level
// fl : final level
// eps : current step size
int fl = Integ->as.size() -1;
// Get current level step size
int fin = 2*Integ->Params.MDsteps;
for(int l=0; l<=level; ++l) fin*= Integ->as[l].multiplier;
int fin = 2*this->Params.MDsteps;
for(int l=0; l<=level; ++l) fin*= this->as[l].multiplier;
fin = fin-1;
double eps = Integ->Params.stepsize;
for(int l=0; l<=level; ++l) eps/= Integ->as[l].multiplier;
double eps = this->Params.stepsize;
for(int l=0; l<=level; ++l) eps/= this->as[l].multiplier;
int multiplier = Integ->as[level].multiplier;
int multiplier = this->as[level].multiplier;
for(int e=0; e<multiplier; ++e){
int first_step,last_step;
@ -94,52 +96,52 @@ namespace Grid{
first_step = (clock[level]==0);
if(first_step){ // initial half step
Integ->update_P(U, level,eps/2.0); ++clock[level];
this->update_P(U, level,eps/2.0); ++clock[level];
}
if(level == fl){ // lowest level
Integ->update_U(U, eps);
this->update_U(U, eps);
}else{ // recursive function call
step(U, level+1,clock, Integ);
this->step(U, level+1,clock);
}
last_step = (clock[level]==fin);
int mm = last_step ? 1 : 2;
Integ->update_P(U, level,mm*eps/2.0);
this->update_P(U, level,mm*eps/2.0);
clock[level]+=mm;
}
}
};
template<class GaugeField> class MinimumNorm2 {
public:
typedef MinimumNorm2<GaugeField> Algorithm;
template<class GaugeField> class MinimumNorm2 : public Integrator<GaugeField> {
private:
const double lambda = 0.1931833275037836;
public:
void step (GaugeField& U,
int level, std::vector<int>& clock,
Integrator<GaugeField,Algorithm>* Integ){
MinimumNorm2(GridBase* grid,
IntegratorParameters Par,
ActionSet<GaugeField> & Aset): Integrator<GaugeField>(grid,Par,Aset) {};
void step (GaugeField& U, int level, std::vector<int>& clock){
// level : current level
// fl : final level
// eps : current step size
int fl = Integ->as.size() -1;
int fl = this->as.size() -1;
double eps = Integ->Params.stepsize;
double eps = this->Params.stepsize;
for(int l=0; l<=level; ++l) eps/= 2.0*Integ->as[l].multiplier;
for(int l=0; l<=level; ++l) eps/= 2.0*this->as[l].multiplier;
// which is final half step
int fin = Integ->as[0].multiplier;
for(int l=1; l<=level; ++l) fin*= 2.0*Integ->as[l].multiplier;
fin = 3*Integ->Params.MDsteps*fin -1;
int fin = this->as[0].multiplier;
for(int l=1; l<=level; ++l) fin*= 2.0*this->as[l].multiplier;
fin = 3*this->Params.MDsteps*fin -1;
int multiplier = Integ->as[level].multiplier;
int multiplier = this->as[level].multiplier;
for(int e=0; e<multiplier; ++e){ // steps per step
int first_step,last_step;
@ -147,26 +149,26 @@ namespace Grid{
first_step = (clock[level]==0);
if(first_step){ // initial half step
Integ->update_P(U,level,lambda*eps); ++clock[level];
this->update_P(U,level,lambda*eps); ++clock[level];
}
if(level == fl){ // lowest level
Integ->update_U(U,0.5*eps);
this->update_U(U,0.5*eps);
}else{ // recursive function call
step(U,level+1,clock, Integ);
this->step(U,level+1,clock);
}
Integ->update_P(U,level,(1.0-2.0*lambda)*eps); ++clock[level];
this->update_P(U,level,(1.0-2.0*lambda)*eps); ++clock[level];
if(level == fl){ // lowest level
Integ->update_U(U,0.5*eps);
this->update_U(U,0.5*eps);
}else{ // recursive function call
step(U,level+1,clock, Integ);
this->step(U,level+1,clock);
}
last_step = (clock[level]==fin);
int mm = (last_step) ? 1 : 2;
Integ->update_P(U,level,lambda*eps*mm); clock[level]+=mm;
this->update_P(U,level,lambda*eps*mm); clock[level]+=mm;
}
}

9
tests/Test_hmc_EODWFRatio.cc
View File

@ -47,14 +47,13 @@ int main (int argc, char ** argv)
FullSet.push_back(Level1);
// Create integrator
// typedef LeapFrog IntegratorAlgorithm;// change here to change the algorithm
typedef MinimumNorm2<LatticeGaugeField> IntegratorAlgorithm;// change here to change the algorithm
IntegratorParameters MDpar(12,20,1.0);
Integrator<LatticeGaugeField,IntegratorAlgorithm> MDynamics(UGrid,MDpar, FullSet);
typedef MinimumNorm2<LatticeGaugeField> IntegratorType;// change here to change the algorithm
IntegratorParameters MDpar(20);
IntegratorType MDynamics(UGrid,MDpar, FullSet);
// Create HMC
HMCparameters HMCpar;
HybridMonteCarlo<LatticeGaugeField,IntegratorAlgorithm> HMC(HMCpar, MDynamics,sRNG,pRNG);
HybridMonteCarlo<LatticeGaugeField,IntegratorType> HMC(HMCpar, MDynamics,sRNG,pRNG);
// Run it
HMC.evolve(U);

4
tests/Test_hmc_EOWilsonFermionGauge.cc
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@ -52,8 +52,8 @@ int main (int argc, char ** argv)
// typedef LeapFrog IntegratorAlgorithm;// change here to change the algorithm
// IntegratorParameters MDpar(12,40,1.0);
typedef MinimumNorm2<LatticeGaugeField> IntegratorAlgorithm;// change here to change the algorithm
IntegratorParameters MDpar(12,10,1.0);
Integrator<LatticeGaugeField,IntegratorAlgorithm> MDynamics(&Fine,MDpar, FullSet);
IntegratorParameters MDpar(10);
IntegratorAlgorithm MDynamics(&Fine,MDpar, FullSet);
// Create HMC
HMCparameters HMCpar;

4
tests/Test_hmc_EOWilsonRatio.cc
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@ -51,8 +51,8 @@ int main (int argc, char ** argv)
// Create integrator
typedef MinimumNorm2<LatticeGaugeField> IntegratorAlgorithm;// change here to change the algorithm
// typedef LeapFrog IntegratorAlgorithm;// change here to change the algorithm
IntegratorParameters MDpar(12,20,1.0);
Integrator<LatticeGaugeField,IntegratorAlgorithm> MDynamics(&Fine,MDpar, FullSet);
IntegratorParameters MDpar(20);
IntegratorAlgorithm MDynamics(&Fine,MDpar, FullSet);
// Create HMC
HMCparameters HMCpar;

4
tests/Test_hmc_WilsonFermionGauge.cc
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@ -52,8 +52,8 @@ int main (int argc, char ** argv)
// Create integrator
typedef MinimumNorm2<LatticeGaugeField> IntegratorAlgorithm;// change here to change the algorithm
// typedef LeapFrog IntegratorAlgorithm;// change here to change the algorithm
IntegratorParameters MDpar(12,20,1.0);
Integrator<LatticeGaugeField,IntegratorAlgorithm> MDynamics(&Fine,MDpar, FullSet);
IntegratorParameters MDpar(20);
IntegratorAlgorithm MDynamics(&Fine,MDpar, FullSet);
// Create HMC
HMCparameters HMCpar;

4
tests/Test_hmc_WilsonGauge.cc
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@ -47,8 +47,8 @@ int main (int argc, char ** argv)
// Create integrator
typedef MinimumNorm2<LatticeGaugeField> IntegratorAlgorithm;// change here to modify the algorithm
IntegratorParameters MDpar(12,20,1.0);
Integrator<LatticeGaugeField,IntegratorAlgorithm> MDynamics(&Fine,MDpar, FullSet);
IntegratorParameters MDpar(20);
IntegratorAlgorithm MDynamics(&Fine,MDpar, FullSet);
// Create HMC
HMCparameters HMCpar;

4
tests/Test_hmc_WilsonRatio.cc
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@ -51,8 +51,8 @@ int main (int argc, char ** argv)
// Create integrator
typedef MinimumNorm2<LatticeGaugeField> IntegratorAlgorithm;// change here to change the algorithm
// typedef LeapFrog IntegratorAlgorithm;// change here to change the algorithm
IntegratorParameters MDpar(12,20,1.0);
Integrator<LatticeGaugeField,IntegratorAlgorithm> MDynamics(&Fine,MDpar, FullSet);
IntegratorParameters MDpar(20);
IntegratorAlgorithm MDynamics(&Fine,MDpar, FullSet);
// Create HMC
HMCparameters HMCpar;

4
tests/Test_rhmc_EOWilson1p1.cc
View File

@ -52,8 +52,8 @@ int main (int argc, char ** argv)
// Create integrator
typedef MinimumNorm2<LatticeGaugeField> IntegratorAlgorithm;// change here to change the algorithm
IntegratorParameters MDpar(12,20,1.0);
Integrator<LatticeGaugeField,IntegratorAlgorithm> MDynamics(&Fine,MDpar, FullSet);
IntegratorParameters MDpar(20);
IntegratorAlgorithm MDynamics(&Fine,MDpar, FullSet);
// Create HMC
HMCparameters HMCpar;

4
tests/Test_rhmc_EOWilsonRatio.cc
View File

@ -54,8 +54,8 @@ int main (int argc, char ** argv)
// Create integrator
typedef MinimumNorm2<LatticeGaugeField> IntegratorAlgorithm;// change here to change the algorithm
// typedef LeapFrog IntegratorAlgorithm;// change here to change the algorithm
IntegratorParameters MDpar(12,20,1.0);
Integrator<LatticeGaugeField,IntegratorAlgorithm> MDynamics(&Fine,MDpar, FullSet);
IntegratorParameters MDpar(20);
IntegratorAlgorithm MDynamics(&Fine,MDpar, FullSet);
// Create HMC
HMCparameters HMCpar;

4
tests/Test_rhmc_Wilson1p1.cc
View File

@ -52,8 +52,8 @@ int main (int argc, char ** argv)
// Create integrator
typedef MinimumNorm2<LatticeGaugeField> IntegratorAlgorithm;// change here to change the algorithm
IntegratorParameters MDpar(12,20,1.0);
Integrator<LatticeGaugeField,IntegratorAlgorithm> MDynamics(&Fine,MDpar, FullSet);
IntegratorParameters MDpar(20);
IntegratorAlgorithm MDynamics(&Fine,MDpar, FullSet);
// Create HMC
HMCparameters HMCpar;

4
tests/Test_rhmc_WilsonRatio.cc
View File

@ -54,8 +54,8 @@ int main (int argc, char ** argv)
// Create integrator
typedef MinimumNorm2<LatticeGaugeField> IntegratorAlgorithm;// change here to change the algorithm
// typedef LeapFrog IntegratorAlgorithm;// change here to change the algorithm
IntegratorParameters MDpar(12,20,1.0);
Integrator<LatticeGaugeField,IntegratorAlgorithm> MDynamics(&Fine,MDpar, FullSet);
IntegratorParameters MDpar(20);
IntegratorAlgorithm MDynamics(&Fine,MDpar, FullSet);
// Create HMC
HMCparameters HMCpar;