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FT-HMC smearing, derivative chain rule, log det and force first pass.

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This commit is contained in:
Peter Boyle 2023-05-22 10:21:37 -04:00
parent 519f795066
commit 1b2914ec09
4 changed files with 114 additions and 70 deletions
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6
Grid/qcd/smearing/GaugeConfiguration.h
View File

@ -56,18 +56,18 @@ public:
It stores a list of smeared configurations.
*/
template <class Gimpl>
class SmearedConfiguration : public ConfigurationBase<Impl>
class SmearedConfiguration : public ConfigurationBase<Gimpl>
{
public:
INHERIT_GIMPL_TYPES(Gimpl);
private:
protected:
const unsigned int smearingLevels;
Smear_Stout<Gimpl> *StoutSmearing;
std::vector<GaugeField> SmearedSet;
public:
GaugeField* ThinLinks; /* Pointer to the thin links configuration */ // move to base???
private:
protected:
// Member functions
//====================================================================

148
Grid/qcd/smearing/GaugeConfigurationMasked.h
View File

@ -17,9 +17,11 @@ public:
INHERIT_GIMPL_TYPES(Gimpl);
private:
const unsigned int smearingLevels;
Smear_Stout<Gimpl> *StoutSmearing;
std::vector<GaugeField> SmearedSet;
// These live in base class
// const unsigned int smearingLevels;
// Smear_Stout<Gimpl> *StoutSmearing;
// std::vector<GaugeField> SmearedSet;
std::vector<LatticeLorentzComplex> masks;
typedef typename SU3Adjoint::AMatrix AdjMatrix;
@ -34,7 +36,7 @@ private:
Fdet_pol=Zero();
for(int e=0;e<8;e++){
ColourMatrix te;
SU3::generatorQlat(e, te);
SU3::generator(e, te);
auto tmp=peekColour(Fdet_nu,e);
Fdet_pol=Fdet_pol + ci*tmp*te; // but norm of te is different.. why?
}
@ -51,14 +53,14 @@ private:
ColourMatrix ta,tb,tc;
for(int a=0;a<Ngen;a++) {
SU3::generatorQlat(a, ta);
SU3::generator(a, ta);
// Qlat Tb = 2i Tb^Grid
UtaU= 2.0*ci*adj(PlaqL)*ta*PlaqR;
for(int c=0;c<Ngen;c++) {
SU3::generatorQlat(c, tc);
SU3::generator(c, tc);
D = Ta( (2.0)*ci*tc *UtaU);
for(int b=0;b<Ngen;b++){
SU3::generatorQlat(b, tb);
SU3::generator(b, tb);
tmp =-trace(ci*tb*D);
PokeIndex<ColourIndex>(Dbc,tmp,b,c); // Adjoint rep
}
@ -76,10 +78,10 @@ private:
ColourMatrix tb;
ColourMatrix tc;
for(int b=0;b<Ngen;b++) {
SU3::generatorQlat(b, tb);
SU3::generator(b, tb);
Nx = (2.0)*Ta( adj(PlaqL)*ci*tb * PlaqR );
for(int c=0;c<Ngen;c++) {
SU3::generatorQlat(c, tc);
SU3::generator(c, tc);
auto tmp =closure( -trace(ci*tc*Nx));
PokeIndex<ColourIndex>(NxAd,tmp,c,b);
}
@ -87,8 +89,8 @@ private:
}
void ApplyMask(GaugeField &U,int smr)
{
LatticeComplex tmp(UGrid);
GaugeLinkField Umu(UGrid);
LatticeComplex tmp(U.Grid());
GaugeLinkField Umu(U.Grid());
for(int mu=0;mu<Nd;mu++){
Umu=PeekIndex<LorentzIndex>(U,mu);
tmp=PeekIndex<LorentzIndex>(masks[smr],mu);
@ -101,7 +103,6 @@ public:
void logDetJacobianForceLevel(const GaugeField &U, GaugeField &force ,int smr)
{
GridBase* grid = U.Grid();
conformable(grid,UGrid);
ColourMatrix tb;
ColourMatrix tc;
ColourMatrix ta;
@ -148,19 +149,19 @@ public:
////////////////////////////////////////////////////////////////////////////////
// Retrieve the eps/rho parameter(s) -- could allow all different but not so far
////////////////////////////////////////////////////////////////////////////////
double rho=StoutSmearing->SmearRho[1];
double rho=this->StoutSmearing->SmearRho[1];
int idx=0;
for(int mu=0;mu<4;mu++){
for(int nu=0;nu<4;nu++){
if ( mu!=nu) assert(StoutSmearing->SmearRho[idx]==rho);
else assert(StoutSmearing->SmearRho[idx]==0.0);
if ( mu!=nu) assert(this->StoutSmearing->SmearRho[idx]==rho);
else assert(this->StoutSmearing->SmearRho[idx]==0.0);
idx++;
}}
//////////////////////////////////////////////////////////////////
// Assemble the N matrix
//////////////////////////////////////////////////////////////////
// Computes ALL the staples -- could compute one only and do it here
StoutSmearing->BaseSmear(C, U);
this->StoutSmearing->BaseSmear(C, U);
Cmu = peekLorentz(C, mu);
//////////////////////////////////////////////////////////////////
@ -173,8 +174,8 @@ public:
ZxAd = Zero();
for(int b=0;b<8;b++) {
// Adj group sets traceless antihermitian T's -- Guido, really????
SU3::generatorQlat(b, tb); // Fund group sets traceless hermitian T's
SU3Adjoint::generatorQlat(b,TRb);
SU3::generator(b, tb); // Fund group sets traceless hermitian T's
SU3Adjoint::generator(b,TRb);
TRb=-TRb;
cplx = 2.0*trace(ci*tb*Zx); // my convention 1/2 delta ba
ZxAd = ZxAd + cplx * TRb; // is this right? YES - Guido used Anti herm Ta's and with bloody wrong sign.
@ -206,7 +207,7 @@ public:
AdjMatrixField aunit(grid);
for(int b=0;b<8;b++){
aunit = ComplexD(1.0);
SU3Adjoint::generatorQlat(b, TRb); //dt2
SU3Adjoint::generator(b, TRb); //dt2
X = (-1.0)*ZxAd;
t2 = X;
@ -260,7 +261,7 @@ public:
for(int e =0 ; e<8 ; e++){
LatticeComplexD tr(grid);
ColourMatrix te;
SU3::generatorQlat(e, te);
SU3::generator(e, te);
tr = trace(dJdX[e] * nMpInv);
pokeColour(dJdXe_nMpInv,tr,e);
}
@ -427,7 +428,6 @@ public:
RealD logDetJacobianLevel(const GaugeField &U,int smr)
{
GridBase* grid = U.Grid();
conformable(grid,UGrid);
GaugeField C(grid);
GaugeLinkField Nb(grid);
GaugeLinkField Z(grid);
@ -456,16 +456,16 @@ public:
// Assemble the N matrix
//////////////////////////////////////////////////////////////////
// Computes ALL the staples -- could compute one only here
StoutSmearing->BaseSmear(C, U);
this->StoutSmearing->BaseSmear(C, U);
Cmu = peekLorentz(C, mu);
Umu = peekLorentz(U, mu);
Complex ci(0,1);
for(int b=0;b<Ngen;b++) {
SU3::generatorQlat(b, Tb);
SU3::generator(b, Tb);
// Qlat Tb = 2i Tb^Grid
Nb = (2.0)*Ta( ci*Tb * Umu * adj(Cmu));
for(int c=0;c<Ngen;c++) {
SU3::generatorQlat(c, Tc);
SU3::generator(c, Tc);
auto tmp = -trace(ci*Tc*Nb); // Luchang's norm: (2Tc) (2Td) N^db = -2 delta cd N^db // - was important
PokeIndex<ColourIndex>(Ncb,tmp,c,b);
}
@ -483,8 +483,8 @@ public:
// Adj group sets traceless antihermitian T's -- Guido, really????
// Is the mapping of these the same? Same structure constants
// Might never have been checked.
SU3::generatorQlat(b, Tb); // Fund group sets traceless hermitian T's
SU3Adjoint::generatorQlat(b,TRb);
SU3::generator(b, Tb); // Fund group sets traceless hermitian T's
SU3Adjoint::generator(b,TRb);
TRb=-TRb;
cplx = 2.0*trace(ci*Tb*Z); // my convention 1/2 delta ba
Zac = Zac + cplx * TRb; // is this right? YES - Guido used Anti herm Ta's and with bloody wrong sign.
@ -532,56 +532,57 @@ public:
RealD logDetJacobian(void)
{
RealD ln_det = 0;
if (smearingLevels > 0)
if (this->smearingLevels > 0)
{
for (int ismr = smearingLevels - 1; ismr > 0; --ismr) {
ln_det+= logDetJacobianLevel(get_smeared_conf(ismr-1),ismr);
for (int ismr = this->smearingLevels - 1; ismr > 0; --ismr) {
ln_det+= logDetJacobianLevel(this->get_smeared_conf(ismr-1),ismr);
}
ln_det +=logDetJacobianLevel(*ThinLinks,0);
ln_det +=logDetJacobianLevel(*(this->ThinLinks),0);
}
return ln_det;
}
void logDetJacobianForce(GaugeField &force)
{
RealD ln_det = 0;
if (smearingLevels > 0)
if (this->smearingLevels > 0)
{
for (int ismr = smearingLevels - 1; ismr > 0; --ismr) {
ln_det+= logDetJacobianForceLevel(get_smeared_conf(ismr-1),force,ismr);
for (int ismr = this->smearingLevels - 1; ismr > 0; --ismr) {
ln_det+= logDetJacobianForceLevel(this->get_smeared_conf(ismr-1),force,ismr);
}
ln_det +=logDetJacobianForeceLevel(*ThinLinks,force,0);
ln_det +=logDetJacobianForeceLevel(*(this->ThinLinks),force,0);
}
}
private:
// Member functions
//====================================================================
void fill_smearedSet(GaugeField &U)
// Override base clas here to mask it
virtual void fill_smearedSet(GaugeField &U)
{
ThinLinks = &U; // attach the smearing routine to the field U
this->ThinLinks = &U; // attach the smearing routine to the field U
// check the pointer is not null
if (ThinLinks == NULL)
if (this->ThinLinks == NULL)
std::cout << GridLogError << "[SmearedConfigurationMasked] Error in ThinLinks pointer\n";
if (smearingLevels > 0)
if (this->smearingLevels > 0)
{
std::cout << GridLogMessage << "[SmearedConfigurationMasked] Filling SmearedSet\n";
GaugeField previous_u(ThinLinks->Grid());
GaugeField previous_u(this->ThinLinks->Grid());
GaugeField smeared_A(ThinLinks->Grid());
GaugeField smeared_B(ThinLinks->Grid());
GaugeField smeared_A(this->ThinLinks->Grid());
GaugeField smeared_B(this->ThinLinks->Grid());
previous_u = *ThinLinks;
for (int smearLvl = 0; smearLvl < smearingLevels; ++smearLvl)
previous_u = *this->ThinLinks;
for (int smearLvl = 0; smearLvl < this->smearingLevels; ++smearLvl)
{
StoutSmearing->smear(smeared_A, previous_u);
this->StoutSmearing->smear(smeared_A, previous_u);
ApplyMask(smeared_A,smearLvl);
smeared_B = previous_u;
ApplyMask(smeared_B,smearLvl);
// Replace only the masked portion
SmearedSet[smearLvl] = previous_u-smeared_B + smeared_A;
previous_u = SmearedSet[smearLvl];
this->SmearedSet[smearLvl] = previous_u-smeared_B + smeared_A;
previous_u = this->SmearedSet[smearLvl];
// For debug purposes
RealD impl_plaq = WilsonLoops<Gimpl>::avgPlaquette(previous_u);
@ -590,11 +591,11 @@ private:
}
}
//====================================================================
GaugeField AnalyticSmearedForce(const GaugeField& SigmaKPrime,
const GaugeField& GaugeK,int level)
// Override base to add masking
virtual GaugeField AnalyticSmearedForce(const GaugeField& SigmaKPrime,
const GaugeField& GaugeK,int level)
{
GridBase* grid = GaugeK.Grid();
conformable(grid,UGrid);
GaugeField C(grid), SigmaK(grid), iLambda(grid);
GaugeField SigmaKPrimeA(grid);
GaugeField SigmaKPrimeB(grid);
@ -603,7 +604,7 @@ private:
GaugeLinkField SigmaKPrime_mu(grid);
GaugeLinkField GaugeKmu(grid), Cmu(grid);
StoutSmearing->BaseSmear(C, GaugeK);
this->StoutSmearing->BaseSmear(C, GaugeK);
SigmaK = Zero();
iLambda = Zero();
@ -622,11 +623,11 @@ private:
GaugeKmu = peekLorentz(GaugeK, mu);
SigmaKPrime_mu = peekLorentz(SigmaKPrimeA, mu);
iQ = Ta(Cmu * adj(GaugeKmu));
set_iLambda(iLambda_mu, e_iQ, iQ, SigmaKPrime_mu, GaugeKmu);
this->set_iLambda(iLambda_mu, e_iQ, iQ, SigmaKPrime_mu, GaugeKmu);
pokeLorentz(SigmaK, SigmaKPrime_mu * e_iQ + adj(Cmu) * iLambda_mu, mu);
pokeLorentz(iLambda, iLambda_mu, mu);
}
StoutSmearing->derivative(SigmaK, iLambda,GaugeK); // derivative of SmearBase
this->StoutSmearing->derivative(SigmaK, iLambda,GaugeK); // derivative of SmearBase
////////////////////////////////////////////////////////////////////////////////////
// propagate the rest of the force as identity map, just add back
@ -640,14 +641,17 @@ private:
////////////////////////////////////////
/*! @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
@ -739,28 +743,27 @@ private:
iLambda = Ta(iGamma);
}
*/
//====================================================================
public:
GaugeField* ThinLinks; /* Pointer to the thin links configuration */
// GaugeField* ThinLinks; /* Pointer to the thin links configuration -- base class*/
////////////////////////
// Derived class
////////////////////////
GridRedBlackCartesian * UrbGrid;
GridCartesian * UGrid;
/* Standard constructor */
SmearedConfigurationMasked(GridCartesian* _UGrid, unsigned int Nsmear, Smear_Stout<Gimpl>& Stout,bool domask=false)
: UGrid(_UGrid), smearingLevels(Nsmear), StoutSmearing(&Stout), ThinLinks(NULL)
: SmearedConfiguration<Gimpl>(_UGrid, Nsmear,Stout)
{
if(domask) assert(Nsmear%(2*Nd)==0); // Or multiply by 8??
UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(_UGrid);
LatticeComplex one(UGrid); one = ComplexD(1.0,0.0);
LatticeComplex tmp(UGrid);
for (unsigned int i = 0; i < smearingLevels; ++i) {
SmearedSet.push_back(*(new GaugeField(UGrid)));
masks.push_back(*(new LatticeLorentzComplex(UGrid)));
GridRedBlackCartesian * UrbGrid;
UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(_UGrid);
LatticeComplex one(_UGrid); one = ComplexD(1.0,0.0);
LatticeComplex tmp(_UGrid);
for (unsigned int i = 0; i < this->smearingLevels; ++i) {
this->SmearedSet.push_back(*(new GaugeField(_UGrid)));
masks.push_back(*(new LatticeLorentzComplex(_UGrid)));
if (domask) {
int mu= (i/2) %Nd;
@ -785,11 +788,16 @@ public:
delete UrbGrid;
}
//////////////////////////////////////////////////////////////
//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();
@ -798,8 +806,10 @@ public:
double time = (end - start)/ 1e3;
std::cout << GridLogMessage << "Smearing in " << time << " ms" << std::endl;
}
*/
//====================================================================
/*
void smeared_force(GaugeField &SigmaTilde)
{
if (smearingLevels > 0)
@ -831,10 +841,13 @@ public:
std::cout << GridLogMessage << "Smearing force in " << time << " ms" << std::endl;
} // if smearingLevels = 0 do nothing
}
*/
//====================================================================
GaugeField& get_SmearedU() { return SmearedSet[smearingLevels - 1]; }
// 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
@ -864,6 +877,7 @@ public:
return *ThinLinks;
}
}
*/
};
NAMESPACE_END(Grid);

29
Grid/qcd/utils/SUn.h
View File

@ -823,6 +823,35 @@ LatticeComplexD Determinant(const Lattice<iScalar<iScalar<iMatrix<vComplexD, N>
return ret;
}
template<int N>
Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > Inverse(const Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > &Umu)
{
GridBase *grid=Umu.Grid();
auto lvol = grid->lSites();
Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > ret(grid);
autoView(Umu_v,Umu,CpuRead);
autoView(ret_v,ret,CpuWrite);
thread_for(site,lvol,{
Eigen::MatrixXcd EigenU = Eigen::MatrixXcd::Zero(N,N);
Coordinate lcoor;
grid->LocalIndexToLocalCoor(site, lcoor);
iScalar<iScalar<iMatrix<ComplexD, N> > > Us;
iScalar<iScalar<iMatrix<ComplexD, N> > > Ui;
peekLocalSite(Us, Umu_v, lcoor);
for(int i=0;i<N;i++){
for(int j=0;j<N;j++){
EigenU(i,j) = Us()()(i,j);
}}
Eigen::MatrixXcd EigenUinv = EigenU.inverse();
for(int i=0;i<N;i++){
for(int j=0;j<N;j++){
Ui()()(i,j) = EigenUinv(i,j);
}}
pokeLocalSite(Ui,ret_v,lcoor);
});
return ret;
}
template<int N>
static void ProjectSUn(Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > &Umu)
{
Umu = ProjectOnGroup(Umu);

1
Grid/qcd/utils/SUnAdjoint.h
View File

@ -51,6 +51,7 @@ public:
typedef Lattice<iVector<iScalar<iMatrix<vComplexF, Dimension> >, Nd> > LatticeAdjFieldF;
typedef Lattice<iVector<iScalar<iMatrix<vComplexD, Dimension> >, Nd> > LatticeAdjFieldD;
typedef Lattice<iScalar<iScalar<iVector<vComplex, Dimension> > > > LatticeAdjVector;
template <class cplx>
static void generator(int Index, iSUnAdjointMatrix<cplx> &iAdjTa) {