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Grid/Grid/qcd/hmc/integrators/Integrator.h
Chulwoo Jung 076580c232 Recovering mixed precision CG for Laplace 
Checking in to move to aurora
2023-12-12 15:32:00 -05:00

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/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/qcd/hmc/integrators/Integrator.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: Guido Cossu <cossu@post.kek.jp>
Author: Chulwoo Jung <chulwoo@bnl.gov>
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 INTEGRATOR_INCLUDED
#define INTEGRATOR_INCLUDED
#include <memory>
#include <Grid/parallelIO/NerscIO.h>
NAMESPACE_BEGIN(Grid);
class IntegratorParameters: Serializable {
public:
GRID_SERIALIZABLE_CLASS_MEMBERS(IntegratorParameters,
std::string, name, // name of the integrator
unsigned int, MDsteps, // number of outer steps
RealD, RMHMCTol,
RealD, RMHMCCGTol,
RealD, lambda0,
RealD, lambda1,
RealD, lambda2,
RealD, trajL) // trajectory length
IntegratorParameters(int MDsteps_ = 10, RealD trajL_ = 1.0)
: MDsteps(MDsteps_),
lambda0(0.1931833275037836),
lambda1(0.1931833275037836),
lambda2(0.1931833275037836),
RMHMCTol(1e-8),RMHMCCGTol(1e-8),
trajL(trajL_) {};
template <class ReaderClass, typename std::enable_if<isReader<ReaderClass>::value, int >::type = 0 >
IntegratorParameters(ReaderClass & Reader)
{
std::cout << GridLogMessage << "Reading integrator\n";
read(Reader, "Integrator", *this);
}
void print_parameters() const {
std::cout << GridLogMessage << "[Integrator] Type : " << name << std::endl;
std::cout << GridLogMessage << "[Integrator] Trajectory length : " << trajL << std::endl;
std::cout << GridLogMessage << "[Integrator] Number of MD steps : " << MDsteps << std::endl;
std::cout << GridLogMessage << "[Integrator] Step size : " << trajL/MDsteps << std::endl;
}
};
/*! @brief Class for Molecular Dynamics management */
template <class FieldImplementation_, class SmearingPolicy, class RepresentationPolicy>
class Integrator {
protected:
public:
typedef FieldImplementation_ FieldImplementation;
typedef typename FieldImplementation::Field MomentaField; //for readability
typedef typename FieldImplementation::Field Field;
int levels; // number of integration levels
double t_U; // Track time passing on each level and for U and for P
std::vector<double> t_P;
// MomentaField P;
GeneralisedMomenta<FieldImplementation > P;
SmearingPolicy& Smearer;
RepresentationPolicy Representations;
IntegratorParameters Params;
RealD Saux,Smom,Sg;
//Filters allow the user to manipulate the conjugate momentum, for example to freeze links in DDHMC
//It is applied whenever the momentum is updated / refreshed
//The default filter does nothing
MomentumFilterBase<MomentaField> const* MomFilter;
const ActionSet<Field, RepresentationPolicy> as;
//Get a pointer to a shared static instance of the "do-nothing" momentum filter to serve as a default
static MomentumFilterBase<MomentaField> const* getDefaultMomFilter(){
static MomentumFilterNone<MomentaField> filter;
return &filter;
}
void update_P(Field& U, int level, double ep)
{
t_P[level] += ep;
update_P(P.Mom, U, level, ep);
std::cout << GridLogIntegrator << "[" << level << "] P " << " dt " << ep << " : t_P " << t_P[level] << std::endl;
}
void update_P2(Field& U, int level, double ep)
{
t_P[level] += ep;
update_P2(P.Mom, U, level, ep);
std::cout << GridLogIntegrator << "[" << level << "] P " << " dt " << ep << " : t_P " << t_P[level] << std::endl;
}
// to be used by the actionlevel class to iterate
// over the representations
struct _updateP
{
template <class FieldType, class GF, class Repr>
void operator()(std::vector<Action<FieldType>*> repr_set, Repr& Rep,
GF& Mom, GF& U, double ep) {
for (int a = 0; a < repr_set.size(); ++a) {
FieldType forceR(U.Grid());
// Implement smearing only for the fundamental representation now
repr_set.at(a)->deriv(Rep.U, forceR);
GF force = Rep.RtoFundamentalProject(forceR); // Ta for the fundamental rep
Real force_abs = std::sqrt(norm2(force)/(U.Grid()->gSites()));
std::cout << GridLogIntegrator << "Hirep Force average: " << force_abs << std::endl;
Mom -= force * ep* HMC_MOMENTUM_DENOMINATOR;;
}
}
} update_P_hireps{};
void update_P(MomentaField& Mom, Field& U, int level, double ep) {
// input U actually not used in the fundamental case
// Fundamental updates, include smearing
for (int a = 0; a < as[level].actions.size(); ++a) {
double start_full = usecond();
Field force(U.Grid());
conformable(U.Grid(), Mom.Grid());
Field& Us = Smearer.get_U(as[level].actions.at(a)->is_smeared);
double start_force = usecond();
as[level].actions.at(a)->deriv(Us, force); // deriv should NOT include Ta
std::cout << GridLogIntegrator << "Smearing (on/off): " << as[level].actions.at(a)->is_smeared << std::endl;
if (as[level].actions.at(a)->is_smeared) Smearer.smeared_force(force);
force = FieldImplementation::projectForce(force); // Ta for gauge fields
double end_force = usecond();
Real force_abs = std::sqrt(norm2(force)/U.Grid()->gSites());
std::cout << GridLogIntegrator << "["<<level<<"]["<<a<<"] Force average: " << force_abs << std::endl;
Mom -= force * ep* HMC_MOMENTUM_DENOMINATOR;;
double end_full = usecond();
double time_full = (end_full - start_full) / 1e3;
double time_force = (end_force - start_force) / 1e3;
std::cout << GridLogMessage << "["<<level<<"]["<<a<<"] P update elapsed time: " << time_full << " ms (force: " << time_force << " ms)" << std::endl;
}
// Force from the other representations
as[level].apply(update_P_hireps, Representations, Mom, U, ep);
}
void update_P2(MomentaField& Mom, Field& U, int level, double ep) {
// input U actually not used in the fundamental case
// Fundamental updates, include smearing
std::cout << GridLogIntegrator << "U before update_P2: " << std::sqrt(norm2(U)) << std::endl;
// Generalised momenta
// Derivative of the kinetic term must be computed before
// Mom is the momenta and gets updated by the
// actions derivatives
MomentaField MomDer(P.Mom.Grid());
P.M.ImportGauge(U);
P.DerivativeU(P.Mom, MomDer);
std::cout << GridLogIntegrator << "MomDer update_P2: " << std::sqrt(norm2(MomDer)) << std::endl;
// Mom -= MomDer * ep;
Mom -= MomDer * ep * HMC_MOMENTUM_DENOMINATOR;
std::cout << GridLogIntegrator << "Mom update_P2: " << std::sqrt(norm2(Mom)) << std::endl;
// Auxiliary fields
P.update_auxiliary_momenta(ep*0.5 );
P.AuxiliaryFieldsDerivative(MomDer);
std::cout << GridLogIntegrator << "MomDer(Aux) update_P2: " << std::sqrt(norm2(Mom)) << std::endl;
// Mom -= MomDer * ep;
Mom -= MomDer * ep * HMC_MOMENTUM_DENOMINATOR;
P.update_auxiliary_momenta(ep*0.5 );
for (int a = 0; a < as[level].actions.size(); ++a) {
double start_full = usecond();
Field force(U.Grid());
conformable(U.Grid(), Mom.Grid());
Field& Us = Smearer.get_U(as[level].actions.at(a)->is_smeared);
double start_force = usecond();
as[level].actions.at(a)->deriv(Us, force); // deriv should NOT include Ta
std::cout << GridLogIntegrator << "Smearing (on/off): " << as[level].actions.at(a)->is_smeared << std::endl;
if (as[level].actions.at(a)->is_smeared) Smearer.smeared_force(force);
force = FieldImplementation::projectForce(force); // Ta for gauge fields
double end_force = usecond();
Real force_abs = std::sqrt(norm2(force)/U.Grid()->gSites());
std::cout << GridLogIntegrator << "["<<level<<"]["<<a<<"] Force average: " << force_abs << std::endl;
Mom -= force * ep* HMC_MOMENTUM_DENOMINATOR;;
double end_full = usecond();
double time_full = (end_full - start_full) / 1e3;
double time_force = (end_force - start_force) / 1e3;
std::cout << GridLogMessage << "["<<level<<"]["<<a<<"] P update elapsed time: " << time_full << " ms (force: " << time_force << " ms)" << std::endl;
}
// Force from the other representations
as[level].apply(update_P_hireps, Representations, Mom, U, ep);
}
void implicit_update_P(Field& U, int level, double ep, double ep1, bool intermediate = false) {
t_P[level] += ep;
double ep2= ep-ep1;
std::cout << GridLogIntegrator << "[" << level << "] P "
<< " dt " << ep << " : t_P " << t_P[level] << std::endl;
std::cout << GridLogIntegrator << "U before implicit_update_P: " << std::sqrt(norm2(U)) << std::endl;
// Fundamental updates, include smearing
MomentaField Msum(P.Mom.Grid());
Msum = Zero();
for (int a = 0; a < as[level].actions.size(); ++a) {
// Compute the force terms for the lagrangian part
// We need to compute the derivative of the actions
// only once
Field force(U.Grid());
conformable(U.Grid(), P.Mom.Grid());
Field& Us = Smearer.get_U(as[level].actions.at(a)->is_smeared);
as[level].actions.at(a)->deriv(Us, force); // deriv should NOT include Ta
std::cout << GridLogIntegrator << "Smearing (on/off): " << as[level].actions.at(a)->is_smeared << std::endl;
if (as[level].actions.at(a)->is_smeared) Smearer.smeared_force(force);
force = FieldImplementation::projectForce(force); // Ta for gauge fields
Real force_abs = std::sqrt(norm2(force) / U.Grid()->gSites());
std::cout << GridLogIntegrator << "|Force| site average: " << force_abs
<< std::endl;
Msum += force;
}
MomentaField NewMom = P.Mom;
MomentaField OldMom = P.Mom;
double threshold = Params.RMHMCTol;
P.M.ImportGauge(U);
MomentaField MomDer(P.Mom.Grid());
MomentaField MomDer1(P.Mom.Grid());
MomentaField AuxDer(P.Mom.Grid());
MomDer1 = Zero();
MomentaField diff(P.Mom.Grid());
double factor = 2.0;
if (intermediate){
P.DerivativeU(P.Mom, MomDer1);
factor = 1.0;
}
// std::cout << GridLogIntegrator << "MomDer1 implicit_update_P: " << std::sqrt(norm2(MomDer1)) << std::endl;
// Auxiliary fields
P.update_auxiliary_momenta(ep1);
P.AuxiliaryFieldsDerivative(AuxDer);
Msum += AuxDer;
// Here run recursively
int counter = 1;
RealD RelativeError;
do {
std::cout << GridLogIntegrator << "UpdateP implicit step "<< counter << std::endl;
// Compute the derivative of the kinetic term
// with respect to the gauge field
P.DerivativeU(NewMom, MomDer);
Real force_abs = std::sqrt(norm2(MomDer) / U.Grid()->gSites());
std::cout << GridLogIntegrator << "|Force| laplacian site average: " << force_abs
<< std::endl;
// NewMom = P.Mom - ep* 0.5 * HMC_MOMENTUM_DENOMINATOR * (2.0*Msum + factor*MomDer + MomDer1);// simplify
NewMom = P.Mom - HMC_MOMENTUM_DENOMINATOR * (ep*Msum + ep1* factor*MomDer + ep2* MomDer1);// simplify
diff = NewMom - OldMom;
counter++;
RelativeError = std::sqrt(norm2(diff))/std::sqrt(norm2(NewMom));
std::cout << GridLogIntegrator << "UpdateP RelativeError: " << RelativeError << std::endl;
OldMom = NewMom;
} while (RelativeError > threshold);
P.Mom = NewMom;
std::cout << GridLogIntegrator << "NewMom implicit_update_P: " << std::sqrt(norm2(NewMom)) << std::endl;
// update the auxiliary fields momenta
P.update_auxiliary_momenta(ep2);
}
void implicit_update_P(Field& U, int level, double ep, bool intermediate = false) {
implicit_update_P( U, level, ep, ep*0.5, intermediate );
}
void update_U(Field& U, double ep)
{
update_U(P.Mom, U, ep);
t_U += ep;
int fl = levels - 1;
std::cout << GridLogIntegrator << " " << "[" << fl << "] U " << " dt " << ep << " : t_U " << t_U << std::endl;
}
void update_U(MomentaField& Mom, Field& U, double ep)
{
// exponential of Mom*U in the gauge fields case
FieldImplementation::update_field(Mom, U, ep);
// Update the smeared fields, can be implemented as observer
Smearer.set_Field(U);
// Update the higher representations fields
Representations.update(U); // void functions if fundamental representation
}
void implicit_update_U(Field&U, double ep, double ep1 ){
double ep2=ep-ep1;
t_U += ep;
int fl = levels - 1;
std::cout << GridLogIntegrator << " " << "[" << fl << "] U " << " dt " << ep << " : t_U " << t_U << std::endl;
std::cout << GridLogIntegrator << "U before implicit_update_U: " << std::sqrt(norm2(U)) << std::endl;
MomentaField Mom1(P.Mom.Grid());
MomentaField Mom2(P.Mom.Grid());
RealD RelativeError;
Field diff(U.Grid());
Real threshold = Params.RMHMCTol;
int counter = 1;
int MaxCounter = 100;
Field OldU = U;
Field NewU = U;
P.M.ImportGauge(U);
P.DerivativeP(Mom1); // first term in the derivative
std::cout << GridLogIntegrator << "implicit_update_U: Mom1: " << std::sqrt(norm2(Mom1)) << std::endl;
P.update_auxiliary_fields(ep1);
MomentaField sum=Mom1;
do {
std::cout << GridLogIntegrator << "UpdateU implicit step "<< counter << std::endl;
P.DerivativeP(Mom2); // second term in the derivative, on the updated U
std::cout << GridLogIntegrator << "implicit_update_U: Mom1: " << std::sqrt(norm2(Mom1)) << std::endl;
sum = (Mom1*ep1 + Mom2*ep2);
for (int mu = 0; mu < Nd; mu++) {
auto Umu = PeekIndex<LorentzIndex>(U, mu);
auto Pmu = PeekIndex<LorentzIndex>(sum, mu);
Umu = expMat(Pmu, 1, 12) * Umu;
PokeIndex<LorentzIndex>(NewU, ProjectOnGroup(Umu), mu);
}
diff = NewU - OldU;
RelativeError = std::sqrt(norm2(diff))/std::sqrt(norm2(NewU));
std::cout << GridLogIntegrator << "UpdateU RelativeError: " << RelativeError << std::endl;
P.M.ImportGauge(NewU);
OldU = NewU; // some redundancy to be eliminated
counter++;
} while (RelativeError > threshold && counter < MaxCounter);
U = NewU;
std::cout << GridLogIntegrator << "NewU implicit_update_U: " << std::sqrt(norm2(U)) << std::endl;
P.update_auxiliary_fields(ep2);
}
virtual void step(Field& U, int level, int first, int last) = 0;
public:
Integrator(GridBase* grid, IntegratorParameters Par,
ActionSet<Field, RepresentationPolicy>& Aset,
SmearingPolicy& Sm, Metric<MomentaField>& M)
: Params(Par),
as(Aset),
P(grid, M),
levels(Aset.size()),
Smearer(Sm),
Representations(grid),
Saux(0.),Smom(0.),Sg(0.)
{
t_P.resize(levels, 0.0);
t_U = 0.0;
// initialization of smearer delegated outside of Integrator
//Default the momentum filter to "do-nothing"
MomFilter = getDefaultMomFilter();
};
virtual ~Integrator() {}
virtual std::string integrator_name() = 0;
//Set the momentum filter allowing for manipulation of the conjugate momentum
void setMomentumFilter(const MomentumFilterBase<MomentaField> &filter){
MomFilter = &filter;
}
//Access the conjugate momentum
const MomentaField & getMomentum() const{ return P; }
void reset_timer(void)
{
for (int level = 0; level < as.size(); ++level) {
for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
as[level].actions.at(actionID)->reset_timer();
}
}
}
void print_timer(void)
{
std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::" << std::endl;
std::cout << GridLogMessage << " Refresh cumulative timings "<<std::endl;
std::cout << GridLogMessage << "--------------------------- "<<std::endl;
for (int level = 0; level < as.size(); ++level) {
for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
std::cout << GridLogMessage
<< as[level].actions.at(actionID)->action_name()
<<"["<<level<<"]["<< actionID<<"] "
<< as[level].actions.at(actionID)->refresh_us*1.0e-6<<" s"<< std::endl;
}
}
std::cout << GridLogMessage << "--------------------------- "<<std::endl;
std::cout << GridLogMessage << " Action cumulative timings "<<std::endl;
std::cout << GridLogMessage << "--------------------------- "<<std::endl;
for (int level = 0; level < as.size(); ++level) {
for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
std::cout << GridLogMessage
<< as[level].actions.at(actionID)->action_name()
<<"["<<level<<"]["<< actionID<<"] "
<< as[level].actions.at(actionID)->S_us*1.0e-6<<" s"<< std::endl;
}
}
std::cout << GridLogMessage << "--------------------------- "<<std::endl;
std::cout << GridLogMessage << " Force cumulative timings "<<std::endl;
std::cout << GridLogMessage << "------------------------- "<<std::endl;
for (int level = 0; level < as.size(); ++level) {
for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
std::cout << GridLogMessage
<< as[level].actions.at(actionID)->action_name()
<<"["<<level<<"]["<< actionID<<"] "
<< as[level].actions.at(actionID)->deriv_us*1.0e-6<<" s"<< std::endl;
}
}
std::cout << GridLogMessage << "--------------------------- "<<std::endl;
std::cout << GridLogMessage << " Dslash counts "<<std::endl;
std::cout << GridLogMessage << "------------------------- "<<std::endl;
uint64_t full, partial, dirichlet;
DslashGetCounts(dirichlet,partial,full);
std::cout << GridLogMessage << " Full BCs : "<<full<<std::endl;
std::cout << GridLogMessage << " Partial dirichlet BCs : "<<partial<<std::endl;
std::cout << GridLogMessage << " Dirichlet BCs : "<<dirichlet<<std::endl;
std::cout << GridLogMessage << "--------------------------- "<<std::endl;
std::cout << GridLogMessage << " Force average size "<<std::endl;
std::cout << GridLogMessage << "------------------------- "<<std::endl;
for (int level = 0; level < as.size(); ++level) {
for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
std::cout << GridLogMessage
<< as[level].actions.at(actionID)->action_name()
<<"["<<level<<"]["<< actionID<<"] :\n\t\t "
<<" force max " << as[level].actions.at(actionID)->deriv_max_average()
<<" norm " << as[level].actions.at(actionID)->deriv_norm_average()
<<" Fdt max " << as[level].actions.at(actionID)->Fdt_max_average()
<<" Fdt norm " << as[level].actions.at(actionID)->Fdt_norm_average()
<<" calls " << as[level].actions.at(actionID)->deriv_num
<< std::endl;
}
}
std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
}
void print_parameters()
{
std::cout << GridLogMessage << "[Integrator] Name : "<< integrator_name() << std::endl;
Params.print_parameters();
}
void print_actions()
{
std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::" << std::endl;
std::cout << GridLogMessage << "[Integrator] Action summary: "<<std::endl;
for (int level = 0; level < as.size(); ++level) {
std::cout << GridLogMessage << "[Integrator] ---- Level: "<< level << std::endl;
for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
std::cout << GridLogMessage << "["<< as[level].actions.at(actionID)->action_name() << "] ID: " << actionID << std::endl;
std::cout << as[level].actions.at(actionID)->LogParameters();
}
}
std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
}
void reverse_momenta()
{
P.Mom *= -1.0;
P.AuxMom *= -1.0;
}
// to be used by the actionlevel class to iterate
// over the representations
struct _refresh {
template <class FieldType, class Repr>
void operator()(std::vector<Action<FieldType>*> repr_set, Repr& Rep, GridSerialRNG & sRNG, GridParallelRNG& pRNG) {
for (int a = 0; a < repr_set.size(); ++a){
repr_set.at(a)->refresh(Rep.U, sRNG, pRNG);
std::cout << GridLogDebug << "Hirep refreshing pseudofermions" << std::endl;
}
}
} refresh_hireps{};
// Initialization of momenta and actions
void refresh(Field& U, GridSerialRNG & sRNG, GridParallelRNG& pRNG)
{
assert(P.Mom.Grid() == U.Grid());
std::cout << GridLogIntegrator << "Integrator refresh" << std::endl;
std::cout << GridLogIntegrator << "Generating momentum" << std::endl;
// FieldImplementation::generate_momenta(P.Mom, sRNG, pRNG);
P.M.ImportGauge(U);
P.MomentaDistribution(sRNG,pRNG);
// Update the smeared fields, can be implemented as observer
// necessary to keep the fields updated even after a reject
// of the Metropolis
std::cout << GridLogIntegrator << "Updating smeared fields" << std::endl;
Smearer.set_Field(U);
// Set the (eventual) representations gauge fields
std::cout << GridLogIntegrator << "Updating representations" << std::endl;
Representations.update(U);
// The Smearer is attached to a pointer of the gauge field
// automatically gets the correct field
// whether or not has been accepted in the previous sweep
for (int level = 0; level < as.size(); ++level) {
for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
// get gauge field from the SmearingPolicy and
// based on the boolean is_smeared in actionID
auto name = as[level].actions.at(actionID)->action_name();
std::cout << GridLogMessage << "refresh [" << level << "][" << actionID << "] "<<name << std::endl;
as[level].actions.at(actionID)->refresh_timer_start();
as[level].actions.at(actionID)->refresh(Smearer, sRNG, pRNG);
as[level].actions.at(actionID)->refresh_timer_stop();
}
// Refresh the higher representation actions
as[level].apply(refresh_hireps, Representations, sRNG, pRNG);
}
}
// to be used by the actionlevel class to iterate
// over the representations
struct _S {
template <class FieldType, class Repr>
void operator()(std::vector<Action<FieldType>*> repr_set, Repr& Rep, int level, RealD& H) {
for (int a = 0; a < repr_set.size(); ++a) {
RealD Hterm = repr_set.at(a)->S(Rep.U);
std::cout << GridLogMessage << "S Level " << level << " term " << a << " H Hirep = " << Hterm << std::endl;
H += Hterm;
}
}
} S_hireps{};
// Calculate action
RealD S(Field& U)
{ // here also U not used
std::cout << GridLogIntegrator << "Integrator action\n";
// RealD H = - FieldImplementation::FieldSquareNorm(P.Mom)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
// RealD Hterm;
// static RealD Saux=0.,Smom=0.,Sg=0.;
RealD H = - FieldImplementation::FieldSquareNorm(P.Mom)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
std::cout << GridLogMessage << "S:FieldSquareNorm H_p = " << H << "\n";
std::cout << GridLogMessage << "S:dSField = " << H-Smom << "\n";
Smom=H;
P.M.ImportGauge(U);
RealD Hterm = - P.MomentaAction();
std::cout << GridLogMessage << "S:Momentum action H_p = " << Hterm << "\n";
std::cout << GridLogMessage << "S:dSMom = " << Hterm-Saux << "\n";
Saux=Hterm;
H = Hterm;
// Actions
for (int level = 0; level < as.size(); ++level) {
for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
// get gauge field from the SmearingPolicy and
// based on the boolean is_smeared in actionID
std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] action eval " << std::endl;
as[level].actions.at(actionID)->S_timer_start();
Hterm = as[level].actions.at(actionID)->S(Smearer);
as[level].actions.at(actionID)->S_timer_stop();
std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
H += Hterm;
}
as[level].apply(S_hireps, Representations, level, H);
}
return H;
}
struct _Sinitial {
template <class FieldType, class Repr>
void operator()(std::vector<Action<FieldType>*> repr_set, Repr& Rep, int level, RealD& H) {
for (int a = 0; a < repr_set.size(); ++a) {
RealD Hterm = repr_set.at(a)->Sinitial(Rep.U);
std::cout << GridLogMessage << "Sinitial Level " << level << " term " << a << " H Hirep = " << Hterm << std::endl;
H += Hterm;
}
}
} Sinitial_hireps{};
RealD Sinitial(Field& U)
{ // here also U not used
std::cout << GridLogIntegrator << "Integrator initial action\n";
// RealD H = - FieldImplementation::FieldSquareNorm(P.Mom)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
// RealD Hterm;
RealD H = - FieldImplementation::FieldSquareNorm(P.Mom)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
std::cout << GridLogMessage << "S:FieldSquareNorm H_p = " << H << "\n";
std::cout << GridLogMessage << "S:dSField = " << H-Smom << "\n";
Smom=H;
P.M.ImportGauge(U);
RealD Hterm = - P.MomentaAction();
std::cout << GridLogMessage << "S:Momentum action H_p = " << Hterm << "\n";
std::cout << GridLogMessage << "S:dSMom = " << Hterm-Saux << "\n";
Saux=Hterm;
H = Hterm;
// Actions
for (int level = 0; level < as.size(); ++level) {
for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
// get gauge field from the SmearingPolicy and
// based on the boolean is_smeared in actionID
std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] action eval " << std::endl;
as[level].actions.at(actionID)->S_timer_start();
Hterm = as[level].actions.at(actionID)->S(Smearer);
as[level].actions.at(actionID)->S_timer_stop();
std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
H += Hterm;
}
as[level].apply(Sinitial_hireps, Representations, level, H);
}
return H;
}
void integrate(Field& U, int traj=-1 )
{
// reset the clocks
t_U = 0;
for (int level = 0; level < as.size(); ++level) {
t_P[level] = 0;
}
for (int stp = 0; stp < Params.MDsteps; ++stp) { // MD step
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
for (int level = 0; level < as.size(); ++level) {
assert(fabs(t_U - t_P[level]) < 1.0e-6); // must be the same
std::cout << GridLogIntegrator << " times[" << level << "]= " << t_P[level] << " " << t_U << std::endl;
}
FieldImplementation::Project(U);
// and that we indeed got to the end of the trajectory
assert(fabs(t_U - Params.trajL) < 1.0e-6);
}
};
NAMESPACE_END(Grid);
#endif // INTEGRATOR_INCLUDED
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