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Refactor the Action and Smeared gauge configuration containers. Add first pass at FTHMC action

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This commit is contained in:
Peter Boyle 2023-06-01 06:14:28 -04:00
parent 5465961e30
commit 3badbfc3c1
6 changed files with 132 additions and 210 deletions
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44
Grid/qcd/action/ActionBase.h
View File

@ -34,10 +34,24 @@ directory
NAMESPACE_BEGIN(Grid); NAMESPACE_BEGIN(Grid);
///////////////////////////////////
// Smart configuration base class
///////////////////////////////////
template< class Field >
class ConfigurationBase
{
public:
ConfigurationBase() {}
virtual ~ConfigurationBase() {}
virtual void set_Field(Field& U) =0;
virtual void smeared_force(Field&) const = 0;
virtual Field& get_SmearedU() =0;
virtual Field &get_U(bool smeared = false) = 0;
};
template <class GaugeField > template <class GaugeField >
class Action class Action
{ {
public: public:
bool is_smeared = false; bool is_smeared = false;
RealD deriv_norm_sum; RealD deriv_norm_sum;
@ -77,11 +91,39 @@ public:
void refresh_timer_stop(void) { refresh_us+=usecond(); } void refresh_timer_stop(void) { refresh_us+=usecond(); }
void S_timer_start(void) { S_us-=usecond(); } void S_timer_start(void) { S_us-=usecond(); }
void S_timer_stop(void) { S_us+=usecond(); } void S_timer_stop(void) { S_us+=usecond(); }
/////////////////////////////
// Heatbath? // Heatbath?
/////////////////////////////
virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) = 0; // refresh pseudofermions virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) = 0; // refresh pseudofermions
virtual RealD S(const GaugeField& U) = 0; // evaluate the action virtual RealD S(const GaugeField& U) = 0; // evaluate the action
virtual RealD Sinitial(const GaugeField& U) { return this->S(U); } ; // if the refresh computes the action, can cache it. Alternately refreshAndAction() ? virtual RealD Sinitial(const GaugeField& U) { return this->S(U); } ; // if the refresh computes the action, can cache it. Alternately refreshAndAction() ?
virtual void deriv(const GaugeField& U, GaugeField& dSdU) = 0; // evaluate the action derivative virtual void deriv(const GaugeField& U, GaugeField& dSdU) = 0; // evaluate the action derivative
/////////////////////////////////////////////////////////////
// virtual smeared interface through configuration container
/////////////////////////////////////////////////////////////
virtual void refresh(ConfigurationBase<GaugeField> & U, GridSerialRNG &sRNG, GridParallelRNG& pRNG)
{
refresh(U.get_U(is_smeared),sRNG,pRNG);
}
virtual RealD S(ConfigurationBase<GaugeField>& U)
{
return S(U.get_U(is_smeared));
}
virtual RealD Sinitial(ConfigurationBase<GaugeField>& U)
{
return Sinitial(U.get_U(is_smeared));
}
virtual void deriv(ConfigurationBase<GaugeField>& U, GaugeField& dSdU)
{
deriv(U.get_U(is_smeared),dSdU);
if ( is_smeared ) {
U.smeared_force(dSdU);
}
}
///////////////////////////////
// Logging
///////////////////////////////
virtual std::string action_name() = 0; // return the action name virtual std::string action_name() = 0; // return the action name
virtual std::string LogParameters() = 0; // prints action parameters virtual std::string LogParameters() = 0; // prints action parameters
virtual ~Action(){} virtual ~Action(){}

2
Grid/qcd/action/ActionCore.h
View File

@ -30,6 +30,8 @@ directory
#ifndef QCD_ACTION_CORE #ifndef QCD_ACTION_CORE
#define QCD_ACTION_CORE #define QCD_ACTION_CORE
#include <Grid/qcd/action/gauge/GaugeImplementations.h>
#include <Grid/qcd/action/ActionBase.h> #include <Grid/qcd/action/ActionBase.h>
NAMESPACE_CHECK(ActionBase); NAMESPACE_CHECK(ActionBase);
#include <Grid/qcd/action/ActionSet.h> #include <Grid/qcd/action/ActionSet.h>

17
Grid/qcd/smearing/GaugeConfiguration.h
View File

@ -7,23 +7,10 @@
NAMESPACE_BEGIN(Grid); NAMESPACE_BEGIN(Grid);
template< class Impl >
class ConfigurationBase
{
public:
INHERIT_FIELD_TYPES(Impl);
ConfigurationBase() {}
virtual ~ConfigurationBase() {}
virtual void set_Field(Field& U) =0;
virtual void smeared_force(Field&) const = 0;
virtual Field& get_SmearedU() =0;
virtual Field &get_U(bool smeared = false) = 0;
};
//trivial class for no smearing //trivial class for no smearing
template< class Impl > template< class Impl >
class NoSmearing : public ConfigurationBase<Impl> class NoSmearing : public ConfigurationBase<typename Impl::Field>
{ {
public: public:
INHERIT_FIELD_TYPES(Impl); INHERIT_FIELD_TYPES(Impl);
@ -56,7 +43,7 @@ public:
It stores a list of smeared configurations. It stores a list of smeared configurations.
*/ */
template <class Gimpl> template <class Gimpl>
class SmearedConfiguration : public ConfigurationBase<Gimpl> class SmearedConfiguration : public ConfigurationBase<typename Gimpl::Field>
{ {
public: public:
INHERIT_GIMPL_TYPES(Gimpl); INHERIT_GIMPL_TYPES(Gimpl);

265
Grid/qcd/smearing/GaugeConfigurationMasked.h
View File

@ -422,8 +422,7 @@ public:
InsertForce(Fdet1,Fdet1_mu,mu); InsertForce(Fdet1,Fdet1_mu,mu);
InsertForce(Fdet2,Fdet2_mu,mu); InsertForce(Fdet2,Fdet2_mu,mu);
force = Fdet1 + Fdet2; force= (-0.5)*( Fdet1 + Fdet2);
} }
RealD logDetJacobianLevel(const GaugeField &U,int smr) RealD logDetJacobianLevel(const GaugeField &U,int smr)
{ {
@ -534,27 +533,82 @@ public:
RealD ln_det = 0; RealD ln_det = 0;
if (this->smearingLevels > 0) if (this->smearingLevels > 0)
{ {
double start = usecond();
for (int ismr = this->smearingLevels - 1; ismr > 0; --ismr) { for (int ismr = this->smearingLevels - 1; ismr > 0; --ismr) {
ln_det+= logDetJacobianLevel(this->get_smeared_conf(ismr-1),ismr); ln_det+= logDetJacobianLevel(this->get_smeared_conf(ismr-1),ismr);
} }
ln_det +=logDetJacobianLevel(*(this->ThinLinks),0); ln_det +=logDetJacobianLevel(*(this->ThinLinks),0);
double end = usecond();
double time = (end - start)/ 1e3;
std::cout << GridLogMessage << "GaugeConfigurationMasked: logDetJacobian took " << time << " ms" << std::endl;
} }
return ln_det; return ln_det;
} }
void logDetJacobianForce(GaugeField &force) void logDetJacobianForce(GaugeField &force)
{ {
RealD ln_det = 0; force =Zero();
GaugeField force_det(force.Grid());
if (this->smearingLevels > 0) if (this->smearingLevels > 0)
{ {
double start = usecond();
GaugeLinkField tmp_mu(force.Grid());
for (int ismr = this->smearingLevels - 1; ismr > 0; --ismr) { for (int ismr = this->smearingLevels - 1; ismr > 0; --ismr) {
ln_det+= logDetJacobianForceLevel(this->get_smeared_conf(ismr-1),force,ismr);
// remove U in UdSdU...
for (int mu = 0; mu < Nd; mu++) {
tmp_mu = adj(peekLorentz(this->get_smeared_conf(ismr), mu)) * peekLorentz(force, mu);
pokeLorentz(force, tmp_mu, mu);
} }
ln_det +=logDetJacobianForeceLevel(*(this->ThinLinks),force,0);
// Propagate existing force
force = this->AnalyticSmearedForce(force, this->get_smeared_conf(ismr - 1), ismr);
// Add back U in UdSdU...
for (int mu = 0; mu < Nd; mu++) {
tmp_mu = peekLorentz(this->get_smeared_conf(ismr - 1), mu) * peekLorentz(force, mu);
pokeLorentz(force, tmp_mu, mu);
} }
// Get this levels determinant force
force_det = Zero();
logDetJacobianForceLevel(this->get_smeared_conf(ismr-1),force_det,ismr);
// Sum the contributions
force = force + force_det;
}
// remove U in UdSdU...
for (int mu = 0; mu < Nd; mu++) {
tmp_mu = adj(peekLorentz(this->get_smeared_conf(0), mu)) * peekLorentz(force, mu);
pokeLorentz(force, tmp_mu, mu);
}
force = this->AnalyticSmearedForce(force, *this->ThinLinks,0);
for (int mu = 0; mu < Nd; mu++) {
tmp_mu = peekLorentz(*this->ThinLinks, mu) * peekLorentz(force, mu);
pokeLorentz(force, tmp_mu, mu);
}
force_det = Zero();
logDetJacobianForceLevel(*this->ThinLinks,force_det,0);
force = force + force_det;
force=Ta(force); // Ta
double end = usecond();
double time = (end - start)/ 1e3;
std::cout << GridLogMessage << "GaugeConfigurationMasked: lnDetJacobianForce took " << time << " ms" << std::endl;
} // if smearingLevels = 0 do nothing
} }
private: private:
// Member functions
//==================================================================== //====================================================================
// Override base clas here to mask it // Override base clas here to mask it
virtual void fill_smearedSet(GaugeField &U) virtual void fill_smearedSet(GaugeField &U)
@ -574,6 +628,7 @@ private:
GaugeField smeared_B(this->ThinLinks->Grid()); GaugeField smeared_B(this->ThinLinks->Grid());
previous_u = *this->ThinLinks; previous_u = *this->ThinLinks;
double start = usecond();
for (int smearLvl = 0; smearLvl < this->smearingLevels; ++smearLvl) for (int smearLvl = 0; smearLvl < this->smearingLevels; ++smearLvl)
{ {
this->StoutSmearing->smear(smeared_A, previous_u); this->StoutSmearing->smear(smeared_A, previous_u);
@ -586,8 +641,11 @@ private:
// For debug purposes // For debug purposes
RealD impl_plaq = WilsonLoops<Gimpl>::avgPlaquette(previous_u); RealD impl_plaq = WilsonLoops<Gimpl>::avgPlaquette(previous_u);
std::cout << GridLogMessage << "[SmearedConfigurationMasked] Plaq: " << impl_plaq << std::endl; std::cout << GridLogMessage << "[SmearedConfigurationMasked] smeared Plaq: " << impl_plaq << std::endl;
} }
double end = usecond();
double time = (end - start)/ 1e3;
std::cout << GridLogMessage << "GaugeConfigurationMasked: Link smearing took " << time << " ms" << std::endl;
} }
} }
//==================================================================== //====================================================================
@ -608,8 +666,6 @@ private:
SigmaK = Zero(); SigmaK = Zero();
iLambda = Zero(); iLambda = Zero();
SigmaK = Zero();
SigmaKPrimeA = SigmaKPrime; SigmaKPrimeA = SigmaKPrime;
ApplyMask(SigmaKPrimeA,level); ApplyMask(SigmaKPrimeA,level);
SigmaKPrimeB = SigmaKPrime - SigmaKPrimeA; SigmaKPrimeB = SigmaKPrime - SigmaKPrimeA;
@ -633,123 +689,12 @@ private:
// propagate the rest of the force as identity map, just add back // propagate the rest of the force as identity map, just add back
//////////////////////////////////////////////////////////////////////////////////// ////////////////////////////////////////////////////////////////////////////////////
SigmaK = SigmaK+SigmaKPrimeB; SigmaK = SigmaK+SigmaKPrimeB;
return SigmaK; return SigmaK;
} }
////////////////////////////////////////
// INHERIT THESE
////////////////////////////////////////
/*! @brief Returns smeared configuration at level 'Level' */
/*
const GaugeField &get_smeared_conf(int Level) const
{
return SmearedSet[Level];
}
*/
// Duplicates code that is in GaugeConfiguration.h
// Should inherit or share.
//====================================================================
/*
void set_iLambda(GaugeLinkField& iLambda, GaugeLinkField& e_iQ,
const GaugeLinkField& iQ, const GaugeLinkField& Sigmap,
const GaugeLinkField& GaugeK) const
{
GridBase* grid = iQ.Grid();
GaugeLinkField iQ2(grid), iQ3(grid), B1(grid), B2(grid), USigmap(grid);
GaugeLinkField unity(grid);
unity = 1.0;
LatticeComplex u(grid), w(grid);
LatticeComplex f0(grid), f1(grid), f2(grid);
LatticeComplex xi0(grid), xi1(grid), tmp(grid);
LatticeComplex u2(grid), w2(grid), cosw(grid);
LatticeComplex emiu(grid), e2iu(grid), qt(grid), fden(grid);
LatticeComplex r01(grid), r11(grid), r21(grid), r02(grid), r12(grid);
LatticeComplex r22(grid), tr1(grid), tr2(grid);
LatticeComplex b10(grid), b11(grid), b12(grid), b20(grid), b21(grid),
b22(grid);
LatticeComplex LatticeUnitComplex(grid);
LatticeUnitComplex = 1.0;
// Exponential
iQ2 = iQ * iQ;
iQ3 = iQ * iQ2;
StoutSmearing->set_uw(u, w, iQ2, iQ3);
StoutSmearing->set_fj(f0, f1, f2, u, w);
e_iQ = f0 * unity + timesMinusI(f1) * iQ - f2 * iQ2;
// Getting B1, B2, Gamma and Lambda
// simplify this part, reduntant calculations in set_fj
xi0 = StoutSmearing->func_xi0(w);
xi1 = StoutSmearing->func_xi1(w);
u2 = u * u;
w2 = w * w;
cosw = cos(w);
emiu = cos(u) - timesI(sin(u));
e2iu = cos(2.0 * u) + timesI(sin(2.0 * u));
r01 = (2.0 * u + timesI(2.0 * (u2 - w2))) * e2iu +
emiu * ((16.0 * u * cosw + 2.0 * u * (3.0 * u2 + w2) * xi0) +
timesI(-8.0 * u2 * cosw + 2.0 * (9.0 * u2 + w2) * xi0));
r11 = (2.0 * LatticeUnitComplex + timesI(4.0 * u)) * e2iu +
emiu * ((-2.0 * cosw + (3.0 * u2 - w2) * xi0) +
timesI((2.0 * u * cosw + 6.0 * u * xi0)));
r21 =
2.0 * timesI(e2iu) + emiu * (-3.0 * u * xi0 + timesI(cosw - 3.0 * xi0));
r02 = -2.0 * e2iu +
emiu * (-8.0 * u2 * xi0 +
timesI(2.0 * u * (cosw + xi0 + 3.0 * u2 * xi1)));
r12 = emiu * (2.0 * u * xi0 + timesI(-cosw - xi0 + 3.0 * u2 * xi1));
r22 = emiu * (xi0 - timesI(3.0 * u * xi1));
fden = LatticeUnitComplex / (2.0 * (9.0 * u2 - w2) * (9.0 * u2 - w2));
b10 = 2.0 * u * r01 + (3.0 * u2 - w2) * r02 - (30.0 * u2 + 2.0 * w2) * f0;
b11 = 2.0 * u * r11 + (3.0 * u2 - w2) * r12 - (30.0 * u2 + 2.0 * w2) * f1;
b12 = 2.0 * u * r21 + (3.0 * u2 - w2) * r22 - (30.0 * u2 + 2.0 * w2) * f2;
b20 = r01 - (3.0 * u) * r02 - (24.0 * u) * f0;
b21 = r11 - (3.0 * u) * r12 - (24.0 * u) * f1;
b22 = r21 - (3.0 * u) * r22 - (24.0 * u) * f2;
b10 *= fden;
b11 *= fden;
b12 *= fden;
b20 *= fden;
b21 *= fden;
b22 *= fden;
B1 = b10 * unity + timesMinusI(b11) * iQ - b12 * iQ2;
B2 = b20 * unity + timesMinusI(b21) * iQ - b22 * iQ2;
USigmap = GaugeK * Sigmap;
tr1 = trace(USigmap * B1);
tr2 = trace(USigmap * B2);
GaugeLinkField QUS = iQ * USigmap;
GaugeLinkField USQ = USigmap * iQ;
GaugeLinkField iGamma = tr1 * iQ - timesI(tr2) * iQ2 +
timesI(f1) * USigmap + f2 * QUS + f2 * USQ;
iLambda = Ta(iGamma);
}
*/
//====================================================================
public: public:
// GaugeField* ThinLinks; /* Pointer to the thin links configuration -- base class*/
////////////////////////
// Derived class
////////////////////////
/* Standard constructor */ /* Standard constructor */
SmearedConfigurationMasked(GridCartesian* _UGrid, unsigned int Nsmear, Smear_Stout<Gimpl>& Stout,bool domask=false) SmearedConfigurationMasked(GridCartesian* _UGrid, unsigned int Nsmear, Smear_Stout<Gimpl>& Stout,bool domask=false)
: SmearedConfiguration<Gimpl>(_UGrid, Nsmear,Stout) : SmearedConfiguration<Gimpl>(_UGrid, Nsmear,Stout)
@ -788,96 +733,40 @@ public:
delete UrbGrid; delete UrbGrid;
} }
////////////////////////////////////////////////////////////// virtual void smeared_force(GaugeField &SigmaTilde)
//Base functionality:
//////////////////////////////////////////////////////////////
/*! For just thin links */
// SmearedConfigurationMasked()
// : smearingLevels(0), StoutSmearing(nullptr), SmearedSet(), ThinLinks(NULL), UGrid(NULL), UrbGrid(NULL), masks() {}
// attach the smeared routines to the thin links U and fill the smeared set
/*
void set_Field(GaugeField &U)
{ {
double start = usecond(); if (this->smearingLevels > 0)
fill_smearedSet(U);
double end = usecond();
double time = (end - start)/ 1e3;
std::cout << GridLogMessage << "Smearing in " << time << " ms" << std::endl;
}
*/
//====================================================================
/*
void smeared_force(GaugeField &SigmaTilde)
{
if (smearingLevels > 0)
{ {
double start = usecond(); double start = usecond();
GaugeField force = SigmaTilde; // actually = U*SigmaTilde GaugeField force = SigmaTilde; // actually = U*SigmaTilde
GaugeLinkField tmp_mu(SigmaTilde.Grid()); GaugeLinkField tmp_mu(SigmaTilde.Grid());
// Remove U from UdSdU
for (int mu = 0; mu < Nd; mu++) for (int mu = 0; mu < Nd; mu++)
{ {
// to get just SigmaTilde // to get just SigmaTilde
tmp_mu = adj(peekLorentz(SmearedSet[smearingLevels - 1], mu)) * peekLorentz(force, mu); tmp_mu = adj(peekLorentz(this->SmearedSet[this->smearingLevels - 1], mu)) * peekLorentz(force, mu);
pokeLorentz(force, tmp_mu, mu); pokeLorentz(force, tmp_mu, mu);
} }
for (int ismr = smearingLevels - 1; ismr > 0; --ismr) { for (int ismr = this->smearingLevels - 1; ismr > 0; --ismr) {
force = AnalyticSmearedForce(force, get_smeared_conf(ismr - 1),ismr); force = this->AnalyticSmearedForce(force, this->get_smeared_conf(ismr - 1),ismr);
} }
force = AnalyticSmearedForce(force, *ThinLinks,0); force = this->AnalyticSmearedForce(force, *this->ThinLinks,0);
// Add U to UdSdU
for (int mu = 0; mu < Nd; mu++) for (int mu = 0; mu < Nd; mu++)
{ {
tmp_mu = peekLorentz(*ThinLinks, mu) * peekLorentz(force, mu); tmp_mu = peekLorentz(*this->ThinLinks, mu) * peekLorentz(force, mu);
pokeLorentz(SigmaTilde, tmp_mu, mu); pokeLorentz(SigmaTilde, tmp_mu, mu);
} }
double end = usecond(); double end = usecond();
double time = (end - start)/ 1e3; double time = (end - start)/ 1e3;
std::cout << GridLogMessage << "Smearing force in " << time << " ms" << std::endl; std::cout << GridLogMessage << " GaugeConfigurationMasked: Smeared Force chain rule took " << time << " ms" << std::endl;
} // if smearingLevels = 0 do nothing } // if smearingLevels = 0 do nothing
} }
*/
//====================================================================
// GaugeField& get_SmearedU() { return SmearedSet[smearingLevels - 1]; }
// GaugeField& get_SmearedU(int n) { return this->SmearedSet[n]; }
/*
GaugeField &get_U(bool smeared = false)
{
// get the config, thin links by default
if (smeared)
{
if (smearingLevels)
{
RealD impl_plaq =
WilsonLoops<Gimpl>::avgPlaquette(SmearedSet[smearingLevels - 1]);
std::cout << GridLogDebug << "getting Usmr Plaq: " << impl_plaq
<< std::endl;
return get_SmearedU();
}
else
{
RealD impl_plaq = WilsonLoops<Gimpl>::avgPlaquette(*ThinLinks);
std::cout << GridLogDebug << "getting Thin Plaq: " << impl_plaq
<< std::endl;
return *ThinLinks;
}
}
else
{
RealD impl_plaq = WilsonLoops<Gimpl>::avgPlaquette(*ThinLinks);
std::cout << GridLogDebug << "getting Thin Plaq: " << impl_plaq
<< std::endl;
return *ThinLinks;
}
}
*/
}; };
NAMESPACE_END(Grid); NAMESPACE_END(Grid);

6
grid-config.in
View File

@ -60,7 +60,7 @@ while test $# -gt 0; do
;; ;;
--cxxflags) --cxxflags)
echo @GRID_CXXFLAGS@ echo @GRID_CXXFLAGS@ -I@prefix@/include
;; ;;
--cxx) --cxx)
@ -72,11 +72,11 @@ while test $# -gt 0; do
;; ;;
--ldflags) --ldflags)
echo @GRID_LDFLAGS@ echo @GRID_LDFLAGS@ -L@prefix@/lib
;; ;;
--libs) --libs)
echo @GRID_LIBS@ echo @GRID_LIBS@ -lGrid
;; ;;
--summary) --summary)

4
systems/mac-arm/config-command-mpi
View File

@ -1,2 +1,4 @@
BREW=/opt/local/ BREW=/opt/local/
MPICXX=mpicxx CXX=c++-12 ../../configure --enable-simd=GEN --enable-comms=mpi-auto --enable-unified=yes --prefix $HOME/QCD/GridInstallOpt --with-lime=/Users/peterboyle/QCD/SciDAC/install/ --with-openssl=$BREW MPICXX=mpicxx CXX=c++-12 ../../configure --enable-simd=GEN --enable-comms=mpi-auto --enable-unified=yes --prefix $HOME/QCD/GridInstall --with-lime=/Users/peterboyle/QCD/SciDAC/install/ --with-openssl=$BREW --disable-fermion-reps --disable-gparity